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Guia de Ideias para Planear e Implementar Projectos Intergeracionais (Guide of Ideas for Planning and Implementing Intergenerational Projects)
ERIC Educational Resources Information Center
Pinto, Teresa Almeida; Marreel, Iris; Hatton-Yeo, Alan
This version of "Guide of Ideas for Planning and Implementing Intergenerational Projects," written in Portuguese, is for all professionals that are or wish to be enrolled in the development of intergenerational activities. This "Guide" is the main product of the Project MATES--Mainstreaming Intergenerational Solidarity, co-financed by the Lifelong…
Atlas del Genoma del Cáncer: Antecedentes
El Atlas del Genoma del Cáncer es una iniciativa de los Institutos Nacionales de la Salud (NIH) para crear mapas multidimensionales completos de los cambios genómicos clave en los tipos y subtipos principales de cáncer.
Violencia de Pareja en Mujeres Hispanas: Implicaciones para la Investigación y la Práctica
Gonzalez-Guarda, Rosa Maria; Becerra, Maria Mercedes
Las investigaciones sobre la violencia entre parejas sugieren que las mujeres hispanas están siendo afectadas desproporcionadamente por la ocurrencia y consecuencias de este problema de salud pública. El objetivo del presente artículo es dar a conocer el estado del arte en relación a la epidemiologia, consecuencias y factores de riesgo para VP entre mujeres Hispanas, discutiendo las implicaciones para la investigación y la práctica. Investigaciones han demostrado una fuerte asociación del status socioeconómico, abuso de droga y el alcohol, la salud mental, aculturación, inmigración, comportamientos sexuales riesgosos e historia de abuso con la violencia entre parejas. Sin embargo, más estudios se deben llevar a cabo para identificar otros factores de riesgos y de protección a poblaciones hispanas no clínicas. Mientras que el conocimiento sobre la etiología de la VP entre mujeres Hispanas se expanda, enfermeras y otros profesionales de la salud deben desarrollar, implementar y evaluar estrategias culturalmente adecuadas para la prevención primaria y secundaria de la violencia entre pareja. PMID:26166938
NASA Astrophysics Data System (ADS)
Woltjer, L.
En la reunion celebrada en diciembre dei ano pasado informe al Consejo de mi deseo de terminar mi contrato como Director General de la ESO una vez que fuera aprobado el proyecto dei VLT, que se espera sucedera hacia fines de este aAo. Cuando fue renovada mi designacion hace tres aAos, el Consejo conocia mi intencion de no completar los cinco aAos dei contrato debido a mi deseo de disponer de mas tiempo para otras actividades. Ahora, una vez terminada la fase preparatoria para el VLT, Y habiendose presentado el proyecto formalmente al Consejo el dia 31 de marzo, y esperando su muy probable aprobacion antes dei termino de este ano, me parece que el 10 de enero de 1988 presenta una excelente fecha para que se produzca un cambio en la administracion de la ESO.
Uso de Sustancias en Mujeres con Desventaja Social: Riesgo para el Contagio de VIH/SIDA
Cianelli, R.; Ferrer, L; Bernales, M.; Miner, S.; Irarrázabal, L.; Molina, Y.
Antecedentes La caracterización epidemiológica en Chile apunta a feminización, pauperización y heterosexualización de la epidemia del VIH, lo que implica un mayor riesgo para las mujeres en desventaja social. Si a esto se suma la utilización de sustancias, la vulnerabilidad de este grupo frente al VIH/SIDA aumenta. Objetivo Describir el uso de sustancias en mujeres con desventaja social e identificar factores de riesgo de contagio de VIH, asociados a este consumo. Material y Método 52 mujeres fueron entrevistadas como parte del proyecto "Testeando una intervención en prevención de VIH/SIDA en mujeres chilenas" GRANT # RO1 TW 006977. Se describen variables sociodemográficas y de consumo de sustancias a través de estadísticas descriptivas y se analiza la relación entre variables a través de pruebas de correlación. Resultados Los resultados indican un perfil sociodemográfico que sitúa a las mujeres en situación de vulnerabilidad frente al contagio de VIH/SIDA, con alto índice de uso de sustancias que acentúa el riesgo. Conclusiones Los hallazgos apuntan a la necesidad de considerar intervenciones que se enfoquen en la prevención de VIH en mujeres, abordando los riesgos asociados al consumo de sustancias. PMID:21197380
Bases para la elaboracion de unidades didacticas de calidad en el area de ciencias (Fisica y Quimica 3 deg ESO)
NASA Astrophysics Data System (ADS)
Maccioni, Elena Lucia
Este Trabajo Fin de Master tiene como objeto, el estudio previo de la educacion de la ciencia en la actualidad y mas destacable, del diseno de las unidades didacticas segun las metodologias mas frecuentes aplicadas por los diferentes sistemas educativos en el area de las Ciencias teniendo en cuenta la importancia y el efecto de la psicologia del alumnado y todo ello como no puede ser de otro modo bajo el corse de la Legislacion aplicable, Estatal, Autonomica y europea. Con estos antecedentes, se extrae cuales son las preguntas que deben contestarse en la elaboracion de una unidad didactica de calidad en el contexto, generacional (edad y sexo), del Proyecto Educativo de Centro, y de la Programacion del Departamento, discutiendo y justificando cada uno de los apartados en que estructuradamente dividiremos dicha Unidad, con un formato manejable, util, y dinamico en el tiempo que sea un verdadero instrumento educativo de aula. Teniendo en cuenta estas premisas, se procede a hacer una recopilacion de una misma unidad didactica publicada por diferentes editoriales, elegidas no al azar, sino en funcion de su penetracion editorial en nuestros centros de ESO, siendo las elegidas (SM y Oxford). Las diferentes unidades seleccionadas son analizadas de forma critica, atendiendo a los criterios generales de calidad bajo parametros cientificos y normativos, concluyendo con la aportacion final que es la redaccion de unas pautas cientifico-pedagogicas, para redactar unidades didacticas de calidad en el area de la Ciencias, en concreto en la Asignatura de Fisica y Quimica de 3º de ESO.
Separating para and ortho water.
Horke, Daniel A; Chang, Yuan-Pin; Długołęcki, Karol; Küpper, Jochen
Water exists as two nuclear-spin isomers, para and ortho, determined by the overall spin of its two hydrogen nuclei. For isolated water molecules, the conversion between these isomers is forbidden and they act as different molecular species. Yet, these species are not readily separated, and no pure para sample has been produced. Accordingly, little is known about their specific physical and chemical properties, conversion mechanisms, or interactions. The production of isolated samples of both spin isomers is demonstrated in pure beams of para and ortho water in their respective absolute ground state. These single-quantum-state samples are ideal targets for unraveling spin-conversion mechanisms, for precision spectroscopy and fundamental symmetry-breaking studies, and for spin-enhanced applications, for example laboratory astrophysics and astrochemistry or hypersensitized NMR experiments. PMID:25196938
El astronauta de la NASA José Hernández alienta a los estudiantes a que sigan sus sueños. Hernández también habla acerca del papel que juegan los padres para ayudar a que sus hijos hagan realidad s...
Functional Expression of Drosophila para Sodium Channels
Warmke, Jeffrey W.; Reenan, Robert A.G.; Wang, Peiyi; Qian, Su; Arena, Joseph P.; Wang, Jixin; Wunderler, Denise; Liu, Ken; Kaczorowski, Gregory J.; Ploeg, Lex H.T. Van der; Ganetzky, Barry; Cohen, Charles J.
The Drosophila para sodium channel α subunit was expressed in Xenopus oocytes alone and in combination with tipE, a putative Drosophila sodium channel accessory subunit. Coexpression of tipE with para results in elevated levels of sodium currents and accelerated current decay. Para/TipE sodium channels have biophysical and pharmacological properties similar to those of native channels. However, the pharmacology of these channels differs from that of vertebrate sodium channels: (a) toxin II from Anemonia sulcata, which slows inactivation, binds to Para and some mammalian sodium channels with similar affinity (Kd ≅ 10 nM), but this toxin causes a 100-fold greater decrease in the rate of inactivation of Para/TipE than of mammalian channels; (b) Para sodium channels are >10-fold more sensitive to block by tetrodotoxin; and (c) modification by the pyrethroid insecticide permethrin is >100-fold more potent for Para than for rat brain type IIA sodium channels. Our results suggest that the selective toxicity of pyrethroid insecticides is due at least in part to the greater affinity of pyrethroids for insect sodium channels than for mammalian sodium channels. PMID:9236205
Laparoscopic extraperitoneal para-aortic lymphadenectomy
Iserte, Pablo Padilla; Minig, Lucas; Zorrero, Cristina
Lymph nodes are the main pathway in the spread of gynaecological malignancies, being a well-known prognostic factor. Lymph node dissection is a complex surgical procedure and requires surgical expertise to perform the procedure, thereby minimising complications. In addition, lymphadenectomy has value in the diagnosis, prognosis, and treatment of patients with gynaecologic cancer. Therefore, a video focused on the para-aortic retroperitoneal anatomy and the surgical technique of the extraperitoneal para-aortic lymphadenectomy is presented. PMID:26435746
Process for para-ethyltoluene dehydrogenation
Chu, C.C.
A process is described of dehydrogenating para-ethyltoluene to selectively form para-methylstyrene comprising contacting to para-ethyltoluene under dehydrogenation reaction conditions with a catalyst composition comprising: (a) from about 30% to 60% by weight of iron oxide, calculated as ferric oxide; (b) from about 13% to 48% by weight of a potassium compound, calculated as potassium oxide; and (c) from about 0% to 5% by weight of a chromium compound, calculated as chromic oxide. The improvement is described comprising dehydrogenating the para-ethyltoluene with a catalyst composition comprising, in addition to the components (a), (b) and (c), a modifying component (d) capable of rendering the para-methylstyrene-containing dehydrogenation reaction effluent especially resistant to the subsequent formation of popcorn polymers when the dehydrogenation of para-ethyltoluene is conducted over the modified catalyst, the modifying component (d) being a bismuth compound present to the extent of from about 1% to 20% by weight of the catalyst composition, calculated as bismuth trioxide.
The ParaScope parallel programming environment
NASA Technical Reports Server (NTRS)
Cooper, Keith D.; Hall, Mary W.; Hood, Robert T.; Kennedy, Ken; Mckinley, Kathryn S.; Mellor-Crummey, John M.; Torczon, Linda; Warren, Scott K.
The ParaScope parallel programming environment, developed to support scientific programming of shared-memory multiprocessors, includes a collection of tools that use global program analysis to help users develop and debug parallel programs. This paper focuses on ParaScope's compilation system, its parallel program editor, and its parallel debugging system. The compilation system extends the traditional single-procedure compiler by providing a mechanism for managing the compilation of complete programs. Thus, ParaScope can support both traditional single-procedure optimization and optimization across procedure boundaries. The ParaScope editor brings both compiler analysis and user expertise to bear on program parallelization. It assists the knowledgeable user by displaying and managing analysis and by providing a variety of interactive program transformations that are effective in exposing parallelism. The debugging system detects and reports timing-dependent errors, called data races, in execution of parallel programs. The system combines static analysis, program instrumentation, and run-time reporting to provide a mechanical system for isolating errors in parallel program executions. Finally, we describe a new project to extend ParaScope to support programming in FORTRAN D, a machine-independent parallel programming language intended for use with both distributed-memory and shared-memory parallel computers.
Oxidative para-triflation of acetanilides.
Pialat, Amélie; Liégault, Benoît; Taillefer, Marc
Direct triflation of acetanilide derivatives with silver triflate has been accomplished under mild iodine(III)-mediated oxidative conditions. The reaction shows excellent regioselectivity for the para position and tolerates a range of ortho and meta substituents on the aromatic ring. This method is also compatible with the preparation of arylnonaflates in synthetically useful yields. PMID:23534500
FDA aprueba la primera inmunoterapia para linfoma
La FDA ha aprobado nivolumab (Opdivo®) para el tratamiento de pacientes con el linfoma clásico de Hodgkin que ha recaído o empeorado después de recibir un trasplante autólogo hematopoyético seguido de brentuximab vedotin (Adcetris®)
Centro para la Salud Mundial (CGH) del NCI
El Centro para la Salud Mundial (CGH) del NCI coordina actividades de investigación y trabaja con socios nacionales e internacionales para comprender y enfrentar la carga que representa el cáncer a nivel mundial.
Inversor Resonante de Tres Elementos L-LC con Caracteristica Cortocircuitable para Aplicaciones de Calentamiento por Induccion
NASA Astrophysics Data System (ADS)
Espi Huerta, Jose Miguel
Los generadores de calentamiento por induccion son puentes inversores con carga resonante, cuya mision es basicamente crear una corriente sinusoidal de gran amplitud sobre la "bobina de caldeo", que forma parte del tanque resonante. En el interior de esta bobina se introduce la pieza que se desea calentar. EI campo magnetico creado induce corrientes superficiales (corrientes de Foucault) sobre la pieza, que producen su calentamiento. Los tanques resonantes (tambien llamados osciladores) utilizados en la actualidad son el resonante serie y el resonante paralelo. Aunque ya desde hace algun tiempo se vienen construyendo generadores de alta potencia basados en estos dos osciladores, el exito nunca ha. sido completo en ninguno de los dos casos. Tal y como se explica en la introduccion de esta memoria, los puentes inversores utilizados deben operar sobre una carga inductiva (corriente retrasada) para evitar el fenomeno de la recuperacion inversa de sus diodos y la consiguiente ruptura de los transistores. De la restriccion topologica anterior se deduce que el generador paralelo debe conmutar a frecuencias inferiores a la resonancia, y el serie a frecuencias superiores. A esta restriccion topologica hay que unir otra que es exclusiva del calentamiento por induccion: La corriente por la bobina de caldeo debe ser sinusoidal. De no ser asi, resultaria imposible disponer toda la potencia de calentamiento sobre la pieza en el espesor requerido por la aplicacion. Como consecuencia, los inversores no pueden operar por debajo de la frecuencia de resonancia del oscilador, pues en ese caso se amplifican los armonicos de orden superior de la tension/corriente de entrada situados sobre la resonancia, con la consiguiente distorsion de la corriente de salida. La conjuncion de las dos restricciones anteriores obligan al inversor paralelo a funcionar a la frecuencia de resonancia del oscilador. Esto imposibilita un control por variacion de frecuencia, regulandose la potencia desde la
Para-hydrogen perspectives in hyperpolarized NMR.
Glöggler, Stefan; Colell, Johannes; Appelt, Stephan
The first instance of para-hydrogen induced polarization (PHIP) in an NMR experiment was serendipitously observed in the 1980s while investigating a hydrogenation reaction (Seldler et al., 1983; Bowers and Weitekamp, 1986, 1987; Eisenschmid et al., 1987) [1-4]. Remarkably a theoretical investigation of the applicability of para-hydrogen as a hyperpolarization agent was being performed in the 1980's thereby quickly providing a theoretical basis for the PHIP-effect (Bowers and Weitekamp, 1986) [2]. The discovery of signal amplification by a non-hydrogenating interaction with para-hydrogen has recently extended the interest to exploit the PHIP effect, as it enables investigation of compounds without structural alteration while retaining the advantages of spectroscopy with hyperpolarized compounds [5]. In this article we will place more emphasis of the future applications of the method while only briefly discussing the efforts that have been made in the understanding of the phenomenon and the development of the method so far. PMID:23932399
Allergic contact dermatitis to para-phenylenediamine.
Jenkins, David; Chow, Elizabeth T
Exposure to hair dye is the most frequent route of sensitisation to para-phenylenediamine (PPD), a common contact allergen. International studies have examined the profile of PPD, but Australian-sourced information is lacking. Patients are often dissatisfied with advice to stop dyeing their hair. This study examines patients' characteristics, patch test results and outcomes of PPD allergy from a single Australian centre, through a retrospective analysis of patch test data from 2006 to 2013 at the Liverpool Hospital Dermatology Department. It reviews the science of hair dye allergy, examines alternative hair dyes and investigates strategies for hair dyeing. Of 584 patients, 11 were allergic to PPD. Our PPD allergy prevalence rate of 2% is at the lower end of international reported rates. About half these patients also react to para-toluenediamine (PTD). Affected patients experience a significant lifestyle disturbance. In all, 78% tried alternative hair dyes after the patch test diagnosis and more than half continued to dye their hair. Alternative non-PPD hair dyes are available but the marketplace can be confusing. Although some patients are able to tolerate alternative hair dyes, caution is needed as the risk of developing an allergy to other hair dye ingredients, especially PTD, is high. PMID:25302475
On Lightlike Geometry of Para-Sasakian Manifolds
Acet, Bilal Eftal; Kılıç, Erol
We study lightlike hypersurfaces of para-Sasakian manifolds tangent to the characteristic vector field. In particular, we define invariant lightlike hypersurfaces and screen semi-invariant lightlike hypersurfaces, respectively, and give examples. Integrability conditions for the distributions on a screen semi-invariant lightlike hypersurface of para-Sasakian manifolds are investigated. We obtain a para-Sasakian structure on the leaves of an integrable distribution of a screen semi-invariant lightlike hypersurface. PMID:24892072
Dipolar induced para-hydrogen-induced polarization.
Buntkowsky, Gerd; Gutmann, Torsten; Petrova, Marina V; Ivanov, Konstantin L; Bommerich, Ute; Plaumann, Markus; Bernarding, Johannes
Analytical expressions for the signal enhancement in solid-state PHIP NMR spectroscopy mediated by homonuclear dipolar interactions and single pulse or spin-echo excitation are developed and simulated numerically. It is shown that an efficient enhancement of the proton NMR signal in solid-state NMR studies of chemisorbed hydrogen on surfaces is possible. Employing typical reaction efficacy, enhancement-factors of ca. 30-40 can be expected both under ALTADENA and under PASADENA conditions. This result has important consequences for the practical application of the method, since it potentially allows the design of an in-situ flow setup, where the para-hydrogen is adsorbed and desorbed from catalyst surfaces inside the NMR magnet. PMID:25218522
Cooling by Para-to-Ortho-Hydrogen Conversion
NASA Technical Reports Server (NTRS)
Sherman, A.; Nast, T.
Catalyst speeds conversion, increasing capacity of solid hydrogen cooling system. In radial-flow catalytic converter, para-hydrogen is converted to equilibrium mixture of para-hydrogen and ortho-hydrogen as it passes through porous cylinder of catalyst. Addition of catalyst increases capacity of hydrogen sublimation cooling systems for radiation detectors.
Requisitos para utilizar el enlace | Smokefree Español
Espanol.smokefree.gov ofrece apoyo y recursos para norteamericanos que hablan español y quieren dejar de fumar. Este sitio en la red fue creada por la División de Investigación para el Control del Tabaco del Instituto Nacional del Cáncer.
Construction of a Para-Ortho Hydrogen Test Cryostat
NASA Astrophysics Data System (ADS)
Essler, J.; Haberstroh, Ch.
In a prospective hydrogen economy it is necessary to verify the para concentration of the employed hydrogen. In case of a short storage time of about a few days only it has been shown that a partial conversion into para-hydrogen gives an optimized overall efficiency. Hence, an easy and reliable method of measuring the para-hydrogen concentration is needed. In this paper, the concept and construction of a small test cryostat are described and first results are presented. The measuring principle is based on a catalytic induced adiabatic ortho-para conversion of a hydrogen gas flow starting from a known temperature. The operation of the system only requires a certain amount of liquid nitrogen as coolant. To determine the concentration of para-hydrogen it is only necessary to measure the temperature of the gas before and after the adiabatic catalyst cell. The measuring cryostat is used for further investigation of the spontaneous para-ortho conversion in the supercritical state. In addition, the design of the cryostat allows the investigation of different catalyst materials regarding the catalytic activity and possible degradation by using a known para concentration for the measurement.
a New Equation of State for Solid para-HYDROGEN
NASA Astrophysics Data System (ADS)
Wang, Lecheng; Le Roy, Robert J.; Roy, Pierre-Nicholas
Solid para-H_2 is a popular accommodating host for impurity spectroscopy due to its unique softness and the spherical symmetry of para-H_2 in its J}=0 rotational level. To simulate the properties of impurity-doped solid para-H_2, a reliable model for the `soft' pure solid para-H_2 at different pressures is highly desirable. While a couple of experimental and theoretical studies aimed at elucidating the equation of state (EOS) of solid para-H_2 have been reported, the calculated EOS was shown to be heavily dependent on the potential energy surface (PES) between two para-H_2 that was used in the simulations. The current study also demonstrates that different choices of the parameters governing the Quantum Monte Carlo simulation could produce different EOS curves. To obtain a reliable model for pure solid para-H_2, we used a new 1-D para-H_2 PES reported by Faruk et al. that was obtained by averaging over Hinde's highly accurate 6-D H_2--H_2 PES. The EOS of pure solid para-H_2 was calculated using the PIMC algorithm with periodic boundary conditions (PBC). To precisely determine the equilibrium density of solid para-H_2, both the value of the PIMC time step (τ) and the number of particles in the PBC cell were extrapolated to convergence. The resulting EOS agreed well with experimental observations, and the hcp structured solid para-H_2 was found to be more stable than the fcc one at 4.2K, in agreement with experiment. The vibrational frequency shift of para-H_2 as a function of the density of the pure solid was also calculated, and the value of the shift at the equilibrium density is found to agree well with experiment. T. Momose, H. Honshina, M. Fushitani and H. Katsuki, Vib. Spectrosc. 34, 95(2004). M. E. Fajardo, J. Phys. Chem. A 117, 13504 (2013). I. F. Silvera, Rev. Mod. Phys. 52, 393(1980). F. Operetto and F. Pederiva, Phys. Rev. B 73, 184124(2006). T. Omiyinka and M. Boninsegni, Phys. Rev. B 88, 024112(2013). N. Faruk, M. Schmidt, H. Li, R. J. Le Roy, and P
ParaDiS-FEM dislocation dynamics simulation code primer
Tang, M; Hommes, G; Aubry, S; Arsenlis, A
The ParaDiS code is developed to study bulk systems with periodic boundary conditions. When we try to perform discrete dislocation dynamics simulations for finite systems such as thin films or cylinders, the ParaDiS code must be extended. First, dislocations need to be contained inside the finite simulation box; Second, dislocations inside the finite box experience image stresses due to the free surfaces. We have developed in-house FEM subroutines to couple with the ParaDiS code to deal with free surface related issues in the dislocation dynamics simulations. This primer explains how the coupled code was developed, the main changes from the ParaDiS code, and the functions of the new FEM subroutines.
Cooling by conversion of para to ortho-hydrogen
NASA Technical Reports Server (NTRS)
Sherman, A. (Inventor)
The cooling capacity of a solid hydrogen cooling system is significantly increased by exposing vapor created during evaporation of a solid hydrogen mass to a catalyst and thereby accelerating the endothermic para-to-ortho transition of the vapor to equilibrium hydrogen. Catalyst such as nickel, copper, iron or metal hydride gels of films in a low pressure drop catalytic reactor are suitable for accelerating the endothermic para-to-ortho conversion.
Para hydrogen equilibration in the atmospheres of the outer planets
NASA Technical Reports Server (NTRS)
Conrath, Barney J.
The thermodynamic behavior of the atmospheres of the Jovian planets is strongly dependent on the extent to which local thermal equilibration of the ortho and para states of molecular hydrogen is achieved. Voyager IRIS data from Jupiter imply substantial departures of the para hydrogen fraction from equilibrium in the upper troposphere at low latitudes, but with values approaching equilibrium at higher latitudes. Data from Saturn are less sensitive to the orth-para ratio, but suggest para hydrogen fractions near the equilibrium value. Above approximately the 200 K temperature level, para hydrogen conversion can enhance the efficiency of convection, resulting in a substantial increase in overturning times on all of the outer planets. Currently available data cannot definitively establish the ortho-para ratios in the atmospheres of Uranus and Neptune, but suggest values closer to local equilibrium than to the 3.1 normal ratio. Modeling of sub-millimeter wavelength measurements of these planets suggest thermal structures with frozen equilibrium lapse rates in their convective regions.
A Comparative Usage-Based Approach to the Reduction of the Spanish and Portuguese Preposition "Para"
ERIC Educational Resources Information Center
Gradoville, Michael Stephen
This study examines the frequency effect of two-word collocations involving "para" "to," "for" (e.g. "fui para," "para que") on the reduction of "para" to "pa" (in Spanish) and "pra" (in Portuguese). Collocation frequency effects demonstrate that language speakers…
ParaText : scalable text modeling and analysis.
Dunlavy, Daniel M.; Stanton, Eric T.; Shead, Timothy M.
Automated processing, modeling, and analysis of unstructured text (news documents, web content, journal articles, etc.) is a key task in many data analysis and decision making applications. As data sizes grow, scalability is essential for deep analysis. In many cases, documents are modeled as term or feature vectors and latent semantic analysis (LSA) is used to model latent, or hidden, relationships between documents and terms appearing in those documents. LSA supplies conceptual organization and analysis of document collections by modeling high-dimension feature vectors in many fewer dimensions. While past work on the scalability of LSA modeling has focused on the SVD, the goal of our work is to investigate the use of distributed memory architectures for the entire text analysis process, from data ingestion to semantic modeling and analysis. ParaText is a set of software components for distributed processing, modeling, and analysis of unstructured text. The ParaText source code is available under a BSD license, as an integral part of the Titan toolkit. ParaText components are chained-together into data-parallel pipelines that are replicated across processes on distributed-memory architectures. Individual components can be replaced or rewired to explore different computational strategies and implement new functionality. ParaText functionality can be embedded in applications on any platform using the native C++ API, Python, or Java. The ParaText MPI Process provides a 'generic' text analysis pipeline in a command-line executable that can be used for many serial and parallel analysis tasks. ParaText can also be deployed as a web service accessible via a RESTful (HTTP) API. In the web service configuration, any client can access the functionality provided by ParaText using commodity protocols ... from standard web browsers to custom clients written in any language.
Una técnica para filtrar patrones de fringing
NASA Astrophysics Data System (ADS)
Ostrov, P. G.
Se presenta una nueva técnica para filtrar los patrones de fringing producidos en los CCDs tipo RCA. El método consiste en construir un mapa con los ángulos de inclinación de las franjas en cada punto de la imagen. Este mapa es ulteriormente utilizado para alinear con el patrón de interferencia una ventana estrecha, sobre la que se aplica un filtro de mediana. Este procedimiento permite eliminar la mayor parte del ruido del patrón de fringing sin destruirlo.
Analyzing and Visualizing Cosmological Simulations with ParaView
Woodring, Jonathan; Heitmann, Katrin; Ahrens, James P; Fasel, Patricia; Hsu, Chung-Hsing; Habib, Salman; Pope, Adrian
The advent of large cosmological sky surveys - ushering in the era of precision cosmology - has been accompanied by ever larger cosmological simulations. The analysis of these simulations, which currently encompass tens of billions of particles and up to a trillion particles in the near future, is often as daunting as carrying out the simulations in the first place. Therefore, the development of very efficient analysis tools combining qualitative and quantitative capabilities is a matter of some urgency. In this paper, we introduce new analysis features implemented within ParaView, a fully parallel, open-source visualization toolkit, to analyze large N-body simulations. A major aspect of ParaView is that it can live and operate on the same machines and utilize the same parallel power as the simulation codes themselves. In addition, data movement is in a serious bottleneck now and will become even more of an issue in the future; an interactive visualization and analysis tool that can handle data in situ is fast becoming essential. The new features in ParaView include particle readers and a very efficient halo finder that identifies friends-of-friends halos and determines common halo properties, including spherical overdensity properties. In combination with many other functionalities already existing within ParaView, such as histogram routines or interfaces to programming languages like Python, this enhanced version enables fast, interactive, and convenient analyses of large cosmological simulations. In addition, development paths are available for future extensions.
Cabozantinib y lenvatinib para cáncer renal
Artículo del blog del NCI sobre la aprobación reciente de la FDA de cabozantinib (Cabometyx®) y de lenvatinib (Lenvima®) para el tratamiento de pacientes cuyo cáncer avanzado de riñón ha evolucionado después de tratamiento con terapias antiangiogénicas.
Leucemia—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento de la leucemia, así como referencias a estudios clínicos, investigación, estadísticas y otros temas relacionados con este tipo de cáncer.
?para-Nonylphenol (PNP), a mixture of alkylphenols used in producing nonionic surfactants, is distributed widely in surface waters and aquatic sediments, where it can affect saltwater species. This article describes a database for acute toxicity of PNP derived for calculating a n...
Hacer frente - Para la familia y los amigos
Si usted ayuda a su familiar o amigo durante el tratamiento del cáncer, usted es quien le cuida. Estar al cuidado de una persona con cáncer puede incluir muchas tensiones. Sugerencias para que se cuide usted cuando cuida a otros.
Tumores cerebrales—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento de los tumores cerebrales, así como referencias a estudios clínicos, estadísticas y otros temas relacionados con estos tipos de cáncer.
Linfoma—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del linfoma, así como referencias a estudios clínicos, investigación, estadísticas y otros temas relacionados con este tipo de cáncer.
Fatiga (PDQ®)—Versión para pacientes
Resumen de información revisada por expertos acerca de la fatiga, una afección caracterizada por extremo cansancio e incapacidad para funcionar por la falta de energía, que a menudo se observa como una complicación del cáncer y su tratamiento.
Delirio (PDQ®)—Versión para pacientes
Resumen de información revisada por expertos acerca del delirio como una complicación del cáncer o su tratamiento. Se tratan enfoques de los cuidados médicos de apoyo y los abordajes farmacológicos para el manejo del delirio.
Mesotelioma maligno—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento y las causas del mesotelioma maligno, así como referencias a estudios clínicos y otros temas relacionados con este tipo de cáncer.
Retinoblastoma—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del retinoblastoma, así como referencias a estudios clínicos, estadísticas y otros temas relacionados con este tipo de cáncer.
Analyzing and Visualizing Cosmological Simulations with ParaView
NASA Astrophysics Data System (ADS)
Woodring, Jonathan; Heitmann, Katrin; Ahrens, James; Fasel, Patricia; Hsu, Chung-Hsing; Habib, Salman; Pope, Adrian
The advent of large cosmological sky surveys—ushering in the era of precision cosmology—has been accompanied by ever larger cosmological simulations. The analysis of these simulations, which currently encompass tens of billions of particles and up to a trillion particles in the near future, is often as daunting as carrying out the simulations in the first place. Therefore, the development of very efficient analysis tools combining qualitative and quantitative capabilities is a matter of some urgency. In this paper, we introduce new analysis features implemented within ParaView, a fully parallel, open-source visualization toolkit, to analyze large N-body simulations. A major aspect of ParaView is that it can live and operate on the same machines and utilize the same parallel power as the simulation codes themselves. In addition, data movement is in a serious bottleneck now and will become even more of an issue in the future; an interactive visualization and analysis tool that can handle data in situ is fast becoming essential. The new features in ParaView include particle readers and a very efficient halo finder that identifies friends-of-friends halos and determines common halo properties, including spherical overdensity properties. In combination with many other functionalities already existing within ParaView, such as histogram routines or interfaces to programming languages like Python, this enhanced version enables fast, interactive, and convenient analyses of large cosmological simulations. In addition, development paths are available for future extensions.
Neuroblastoma—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento y los exámenes de detección del neuroblastoma, así como referencias a estudios clínicos, investigación y otros temas relacionados con este tipo de cáncer.
Sistemas Correctores de Campo Para EL Telescopio Cassegrain IAC80
NASA Astrophysics Data System (ADS)
Galan, M. J.; Cobos, F. J.
El proyecto de instrumentación de mayor importancia que ha tenido el Instituto de Astrofisica de Canarias en los últimos afios ha sido el diseflo y construcción del te1escopio IAC8O. Este requería del esfuerzo con junto en mec´nica, óptica y electrónica, lo que facilitó la estructuración y el crecimiento de los respectivos grupos de trabajo, que posteriormente se integraron en departamentos En su origen (1977), el telescopio IAC80 fue concebido como un sistema clásico tipo Cassegrain, con una razón focal F/i 1.3 para el sistema Casse grain y una razón focal F/20 para el sistema Coudé. Posteriormente, aunque se mantuvo la filosofia de que el sistema básico fuera el F/11.3, se consideró conveniente el diseño de secundarios para razones focales F/16 y F/32, y se eliminó el de F/20. Sin embargo, dada la importancia relativa que un foco estrictamente fotográfico tiene en un telescopio moderno, diseñado básicamente para fotometría fotoeléctrica y con un campo util mínimamente de 40 minutos de arco, se decídió Ilevar a cabo el diseño de un secundario F/8 con un sistema corrector de campo, pero que estuviera formado únicamente por lentes con superficies esféricas para que asl su construcción fuera posible en España ó en México. La creciente utilización de detectores bidimensionales para fines de investigación astron6mica y la viabilidad de que en un futuro cercano éstos tengan un área sensible cada vez mayor, hicieron atractiva la idea de tener diseñado un sistema corrector de campo para el foco primario (F/3), con un campo útil mínimo de un grado, y también con la limitante de que sus componentes tuvieron sólamente supérficies esféricas. Ambos diseños de los sis-temas correctores de campo se llevaron a cabo, en gran medida, como parte de un proyecto de colaboración e intercambio en el área de diseño y evaluación de sistemas ópticos.
DESIGN NOTE: A compact catalytic converter for the production of para-hydrogen
NASA Astrophysics Data System (ADS)
Juarez, A. M.; Cubric, D.; King, G. C.
The design and operation of a compact converter to produce a constant flow of para-hydrogen from normal hydrogen is described. The converter features a paramagnetic compound (nickel sulfate) that catalyses the conversion of ortho- to para-hydrogen at temperatures of 14-21 K. The converter has been tested by measuring rotationally resolved photoelectron spectra in the para-hydrogen produced. The percentage of the para-hydrogen species in the converted gas was determined to be >97%.
Control del dolor: Apoyo para las personas con cáncer
Contiene información sobre las medicinas contra el dolor para pacientes con cáncer, los planes para controlarlo, cómo hablar con su equipo de atención médica sobre el dolor que usted siente y qué hacer para controlar los efectos físicos y emocionales del
ParA resolvase catalyzes site-specific excision of DNA from the Arabidopsis genome
Technology Transfer Automated Retrieval System (TEKTRAN)
The small serine resolvase ParA from bacterial plasmids RK2 and RP4 catalyzes the recombination of two identical 133 bp recombination sites known as MRS. Previously, we reported that ParA is active in the fission yeast Schizosaccharomyces pombe. In this work, the parA recombinase gene was placed un...
The Regulation of para-Nitrophenol Degradation in Pseudomonas putida DLL-E4
Chen, Qiongzhen; Tu, Hui; Luo, Xue; Zhang, Biying; Huang, Fei; Li, Zhoukun; Wang, Jue; Shen, Wenjing; Wu, Jiale; Cui, Zhongli
Pseudomonas putida DLL-E4 can efficiently degrade para-nitrophenol and its intermediate metabolite hydroquinone. The regulation of para-nitrophenol degradation was studied, and PNP induced a global change in the transcriptome of P. putida DLL-E4. When grown on PNP, the wild-type strain exhibited significant downregulation of 2912 genes and upregulation of 845 genes, whereas 2927 genes were downregulated and 891 genes upregulated in a pnpR-deleted strain. Genes related to two non-coding RNAs (ins1 and ins2), para-nitrophenol metabolism, the tricarboxylic acid cycle, the outer membrane porin OprB, glucose dehydrogenase Gcd, and carbon catabolite repression were significantly upregulated when cells were grown on para-nitrophenol plus glucose. pnpA, pnpR, pnpC1C2DECX1X2, and pnpR1 are key genes in para-nitrophenol degradation, whereas pnpAb and pnpC1bC2bDbEbCbX1bX2b have lost the ability to degrade para-nitrophenol. Multiple components including transcriptional regulators and other unknown factors regulate para-nitrophenol degradation, and the transcriptional regulation of para-nitrophenol degradation is complex. Glucose utilization was enhanced at early stages of para-nitrophenol supplementation. However, it was inhibited after the total consumption of para-nitrophenol. The addition of glucose led to a significant enhancement in para-nitrophenol degradation and up-regulation in the expression of genes involved in para-nitrophenol degradation and carbon catabolite repression (CCR). It seemed that para-nitrophenol degradation can be regulated by CCR, and relief of CCR might contribute to enhanced para-nitrophenol degradation. In brief, the regulation of para-nitrophenol degradation seems to be controlled by multiple factors and requires further study. PMID:27191401
Para rubber seed oil: new promising unconventional oil for cosmetics.
Lourith, Nattaya; Kanlayavattanakul, Mayuree; Sucontphunt, Apirada; Ondee, Thunnicha
Para rubber seed was macerated in petroleum ether and n-hexane, individually, for 30 min. The extraction was additionally performed by reflux and soxhlet for 6 h with the same solvent and proportion. Soxhlet extraction by petroleum ether afforded the greatest extractive yield (22.90 ± 0.92%). Although antioxidant activity by means of 1, 1-diphenyl-2-picrylhydrazyl (DPPH) assay was insignificantly differed in soxhleted (8.90 ± 1.15%) and refluxed (9.02 ± 0.71%) by n-hexane, soxhlet extraction by n-hexane was significantly (p < 0.05) potent scavenged 2,2'-azino-bis(3-ethylbenzothaiazoline)-6-sulfonic acid) or ABTS radical with trolox equivalent antioxidant capacity (TEAC) of 66.54 ± 6.88 mg/100 g oil. This extract was non cytotoxic towards normal human fibroblast cells. In addition, oleic acid and palmitic acid were determined at a greater content than in the seed of para rubber cultivated in Malaysia, although linoleic and stearic acid contents were not differed. This bright yellow extract was further evaluated on other physicochemical characters. The determined specific gravity, refractive index, iodine value, peroxide value and saponification value were in the range of commercialized vegetable oils used as cosmetic raw material. Therefore, Para rubber seed oil is highlighted as the promising ecological ingredient appraisal for cosmetics. Transforming of the seed that is by-product of the important industrial crop of Thailand into cosmetics is encouraged accordingly. PMID:24976614
Litewka, Sergio
La telemedicina es una tendencia creciente en la prestación de los servicios médicos. Aunque la eficacia de esta práctica no ha estado bien establecida, es probable que los países en desarrollo compartirán este nuevo paradigma con los desarrollados. Los defensores de la telemedicina en América Latina sostienen que será una herramienta útil para reducir las disparidades y mejorar la accesibilidad de atención de salud. Aunque América Latina quizá se convierta en un lugar para la investigación e investigación de estos procedimientos, no está claro cómo la telemedicina podría contribuir a mejorar la accesibilidad para las poblaciones desfavorecidas, o coexistir con sistemas de atención de salud públicos crónicamente enfermos. Telemedicine is a growing trend in the provision of medical services. Although the effectiveness of this practice has not been well established, it is likely that developing countries will share this new paradigm with developed ones. Supporters of telemedicine in Latin America maintain that it will be a useful tool for reducing disparities and improving health care accessibility. Although Latin America might become a place for research and investigation of these procedures, it is not clear how telemedicine could contribute to improving accessibility for disadvantaged populations, or coexist with chronically ill-funded public healthcare systems. PMID:21625326
Faure, A.; Hily-Blant, P.; Le Gal, R.; Rist, C.
The ortho-para chemistry of ammonia in the cold interstellar medium is investigated using a gas-phase chemical network. Branching ratios for the primary reaction chain involved in the formation and destruction of ortho- and para-NH{sub 3} were derived using angular momentum rules based on the conservation of the nuclear spin. We show that the 'anomalous' ortho-to-para ratio of ammonia ({approx}0.7) observed in various interstellar regions is in fact consistent with nuclear spin selection rules in a para-enriched H{sub 2} gas. This ratio is found to be independent of temperature in the range 5-30 K. We also predict an ortho-to-para ratio of {approx}2.3 for NH{sub 2}. We conclude that a low ortho-to-para ratio of H{sub 2} naturally drives the ortho-to-para ratios of nitrogen hydrides below the statistical values.
ParA resolvase catalyzes site-specific excision of DNA from the Arabidopsis genome.
Thomson, James G; Yau, Yuan-Yeu; Blanvillain, Robert; Nunes, Wylla M; Chiniquy, Dawn; Thilmony, Roger; Ow, David W
The small serine resolvase ParA from bacterial plasmids RK2 and RP4 catalyzes the recombination of two identical 133 bp recombination sites known as MRS. Previously, we reported that ParA is active in the fission yeast Schizosaccharomyces pombe. In this work, the parA recombinase gene was placed under the control of the Arabidopsis OXS3 promoter and introduced into Arabidopsis lines harboring a chromosomally integrated MRS-flanked target. The ParA recombinase excised the MRS-flanked DNA and the excision event was detected in subsequent generations in the absence of ParA, indicating germinal transmission of the excision event. The precise site-specific deletion by the ParA recombination system in planta demonstrates that the ParA recombinase can be used to remove transgenic DNA, such as selectable markers or other introduced transgenes that are no longer desired in the final product. PMID:18704739
Laparoscopic para-aortic lymph node dissection for patients with primary colorectal cancer and clinically suspected para-aortic lymph nodes
Song, Sung Ho; Park, Soo Yeun; Park, Jun Seok; Kim, Hye Jin; Yang, Chun-Seok
Purpose Treatment of patients with para-aortic lymph node metastasis from colorectal cancer is controversial. The goal of this study was to investigate the technical feasibility of laparoscopic intrarenal para-aortic lymph node dissection in patients with colorectal cancer and clinically suspected para-aortic lymph node dissection. Methods The inclusion criteria for the laparoscopic approach were patients with infrarenal para-aortic lymph node metastasis from colorectal cancer. Patients who had any other distant metastatic lesion or metachronous para-aortic lymph node metastasis were excluded from this study. Perioperative outcomes and survival outcomes were analyzed. Results Between November 2004 and October 2013, 40 patients underwent laparoscopic para-aortic lymph node dissection. The mean operating time was 192.3 ± 68.8 minutes (range, 100-400 minutes) and the mean estimated blood loss was 65.6 ± 52.6 mL (range, 20-210 mL). No patient required open conversion. The postoperative complication rate was 15.0%. Sixteen patients (40.0%) had pathologically positive lymph nodes. In patients with metastatic para-aortic lymph nodes, the 3-year overall survival rate and disease-free survival rate were 65.7% and 40.2%, respectively. Conclusion The results of our study suggest that a laparoscopic approach for patients with colorectal cancer with metastatic para-aortic lymph nodes can be a reasonable option for selected patients. PMID:26793690
Centro para la Salud Mundial del NCI anuncia becas de investigación para tecnologías portátiles
El Centro para la Salud Mundial del NCI (CGH) anunció el otorgamiento de subvenciones que apoyarán el desarrollo y la validación de tecnologías portátiles y de bajo costo para mejorar la detección temprana, el diagnóstico y el tratamiento del cáncer.
Litewka, Sergio
La telemedicina es una tendencia creciente en la prestación de los servicios médicos. Aunque la eficacia de esta práctica no ha estado bien establecida, es probable que los países en desarrollo compartirán este nuevo paradigma con los desarrollados. Los defensores de la telemedicina en América Latina sostienen que será una herramienta útil para reducir las disparidades y mejorar la accesibilidad de atención de salud. Aunque América Latina quizá se convierta en un lugar para la investigación e investigación de estos procedimientos, no está claro cómo la telemedicina podría contribuir a mejorar la accesibilidad para las poblaciones desfavorecidas, o coexistir con sistemas de atención de salud públicos crónicamente enfermos.Telemedicine is a growing trend in the provision of medical services. Although the effectiveness of this practice has not been well established, it is likely that developing countries will share this new paradigm with developed ones. Supporters of telemedicine in Latin America maintain that it will be a useful tool for reducing disparities and improving health care accessibility. Although Latin America might become a place for research and investigation of these procedures, it is not clear how telemedicine could contribute to improving accessibility for disadvantaged populations, or coexist with chronically ill-funded public healthcare systems. PMID:21625326
Amazon Land Wars in the South of Para
NASA Technical Reports Server (NTRS)
Simmons, Cynthia S.; Walker, Robert T.; Arima, Eugenio Y.; Aldrich, Stephen P.; Caldas, Marcellus M.
The South of Para, located in the heart of the Brazilian Amazon, has become notorious for violent land struggle. Although land conflict has a long history in Brazil, and today impacts many parts of the country, violence is most severe and persistent here. The purpose of this article is to examine why. Specifically, we consider how a particular Amazonian place, the so-called South of Para has come to be known as Brazil's most dangerous badland. We begin by considering the predominant literature, which attributes land conflict to the frontier expansion process with intensified struggle emerging in the face of rising property values and demand for private property associated with capitalist development. From this discussion, we distill a concept of the frontier, based on notions of property rights evolution and locational rents. We then empirically test the persistence of place-based violence in the region, and assess the frontier movement through an analysis of transportation costs. The findings from the analyses indicate that the prevalent theorization of frontier violence in Amazonia does little to explain its persistent and pervasive nature in the South of Para. To fill this gap in understanding, we develop an explanation based the geographic conception of place, and we use contentious politics theory heuristically to elucidate the ways in which general processes interact with place specific history to engender a landscape of violence. In so doing, we focus on environmental, cognitive, and relational mechanisms (and implicated structures), and attempt to deploy them in an explanatory framework that allows direct observation of the accumulating layers of the region's tragic history. We end by placing our discussion within a political ecological context, and consider the implications of the Amazon Land War for the environment.
RVA: A Plugin for ParaView 3.14
RVA is a plugin developed for the 64-bit Windows version of the ParaView 3.14 visualization package. RVA is designed to provide support in the visualization and analysis of complex reservoirs being managed using multi-fluid EOR techniques. RVA, for Reservoir Visualization and Analysis, was developed at the University of Illinois at Urbana-Champaign, with contributions from the Illinois State Geological Survey, Department of Computer Science and National Center for Supercomputing Applications. RVA was designed to utilize and enhance the state-of-the-art visualization capabilities within ParaView, readily allowing joint visualization of geologic framework and reservoir fluid simulation model results. Particular emphasis was placed on enabling visualization and analysis of simulation results highlighting multiple fluid phases, multiple properties for each fluid phase (including flow lines), multiple geologic models and multiple time steps. Additional advanced functionality was provided through the development of custom code to implement data mining capabilities. The built-in functionality of ParaView provides the capacity to process and visualize data sets ranging from small models on local desktop systems to extremely large models created and stored on remote supercomputers. The RVA plugin that we developed and the associated User Manual provide improved functionality through new software tools, and instruction in the use of ParaView-RVA, targeted to petroleum engineers and geologists in industry and research. The RVA web site (http://rva.cs.illinois.edu) provides an overview of functions, and the development web site (https://github.com/shaffer1/RVA) provides ready access to the source code, compiled binaries, user manual, and a suite of demonstration data sets. Key functionality has been included to support a range of reservoirs visualization and analysis needs, including: sophisticated connectivity analysis, cross sections through simulation results between
Spectroscopy of Single Dibenzoterrylene Molecules in para-Dichlorobenzene.
Verhart, Nico R; Müller, Mathias; Orrit, Michel
We study single dibenzoterrylene (DBT) molecules embedded in 1,4-dichlorobenzene (para-dichlorobenzene, pDCB) at 1.2 K. Due to the relatively low melting point of pDCB (53 °C), this host-guest system can be easily prepared from the molten phase. Narrow linewidths, stable molecular lines and high saturation count rates of single DBT molecules were observed. For this reason, we consider this host-guest system a promising candidate for the study of interactions of single molecules with other small objects such as waveguides or nanoparticles. PMID:26840901
RVA: A Plugin for ParaView 3.14
RVA is a plugin developed for the 64-bit Windows version of the ParaView 3.14 visualization package. RVA is designed to provide support in the visualization and analysis of complex reservoirs being managed using multi-fluid EOR techniques. RVA, for Reservoir Visualization and Analysis, was developed at the University of Illinois at Urbana-Champaign, with contributions from the Illinois State Geological Survey, Department of Computer Science and National Center for Supercomputing Applications. RVA was designed to utilize andmore » enhance the state-of-the-art visualization capabilities within ParaView, readily allowing joint visualization of geologic framework and reservoir fluid simulation model results. Particular emphasis was placed on enabling visualization and analysis of simulation results highlighting multiple fluid phases, multiple properties for each fluid phase (including flow lines), multiple geologic models and multiple time steps. Additional advanced functionality was provided through the development of custom code to implement data mining capabilities. The built-in functionality of ParaView provides the capacity to process and visualize data sets ranging from small models on local desktop systems to extremely large models created and stored on remote supercomputers. The RVA plugin that we developed and the associated User Manual provide improved functionality through new software tools, and instruction in the use of ParaView-RVA, targeted to petroleum engineers and geologists in industry and research. The RVA web site (http://rva.cs.illinois.edu) provides an overview of functions, and the development web site (https://github.com/shaffer1/RVA) provides ready access to the source code, compiled binaries, user manual, and a suite of demonstration data sets. Key functionality has been included to support a range of reservoirs visualization and analysis needs, including: sophisticated connectivity analysis, cross sections through simulation results
Biodegradation of Para Amino Acetanilide by Halomonas sp. TBZ3
Hajizadeh, Nader; Sefidi Heris, Youssof; Zununi Vahed, Sepideh; Vallipour, Javad; Hejazi, Mohammad Amin; Golabi, Sayyed Mahdi; Asadpour-Zeynali, Karim; Hejazi, Mohammad Saeid
Background: Aromatic compounds are known as a group of highly persistent environmental pollutants. Halomonas sp. TBZ3 was isolated from the highly salty Urmia Lake of Iran. In this study, characterization of a new Halomonas isolate called Halomonas sp. TBZ3 and its employment for biodegradation of para-amino acetanilide (PAA), as an aromatic environmental pollutant, is described. Objectives: This study aimed to characterize the TBZ3 isolate and to elucidate its ability as a biodegradative agent that decomposes PAA. Materials and Methods: Primarily, DNA-DNA hybridization between TBZ3, Halomonas denitrificans DSM18045T and Halomonas saccharevitans LMG 23976T was carried out. Para-amino acetanilide biodegradation was assessed using spectrophotometry and confirmed by gas chromatography-mass spectroscopy (GC-MS). Parameters effective on biodegradation of PAA were optimized by the Response Surface Methodology (RSM). Results: The DNA-DNA hybridization experiments between isolate TBZ3, H. denitrificans and H. saccharevitans revealed relatedness levels of 57% and 65%, respectively. According to GC-MS results, TBZ3 degrades PAA to benzene, hexyl butanoate, 3-methyl-1-heptanol and hexyl hexanoate. Temperature 32.92°C, pH 6.76, and salinity 14% are the optimum conditions for biodegradation with a confidence level of 95% (at level α = 0.05). Conclusions: According to our results, Halomonas sp. TBZ3 could be considered as a biological agent for bioremediation of PAA and possibly other similar aromatic compounds. PMID:26495103
CYP96T1 of Narcissus sp. aff. pseudonarcissus Catalyzes Formation of the Para-Para' C-C Phenol Couple in the Amaryllidaceae Alkaloids
Kilgore, Matthew B.; Augustin, Megan M.; May, Gregory D.; Crow, John A.; Kutchan, Toni M.
The Amaryllidaceae alkaloids are a family of amino acid derived alkaloids with many biological activities; examples include haemanthamine, haemanthidine, galanthamine, lycorine, and maritidine. Central to the biosynthesis of the majority of these alkaloids is a C-C phenol-coupling reaction that can have para-para', para-ortho', or ortho-para' regiospecificity. Through comparative transcriptomics of Narcissus sp. aff. pseudonarcissus, Galanthus sp., and Galanthus elwesii we have identified a para-para' C-C phenol coupling cytochrome P450, CYP96T1, capable of forming the products (10bR,4aS)-noroxomaritidine and (10bS,4aR)-noroxomaritidine from 4′-O-methylnorbelladine. CYP96T1 was also shown to catalyzed formation of the para-ortho' phenol coupled product, N-demethylnarwedine, as less than 1% of the total product. CYP96T1 co-expresses with the previously characterized norbelladine 4′-O-methyltransferase. The discovery of CYP96T1 is of special interest because it catalyzes the first major branch in Amaryllidaceae alkaloid biosynthesis. CYP96T1 is also the first phenol-coupling enzyme characterized from a monocot. PMID:26941773
Ortho-para mixing hyperfine interaction in the H2O+ ion and nuclear spin equilibration.
Tanaka, Keiichi; Harada, Kensuke; Oka, Takeshi
The ortho to para conversion of water ion, H2O(+), due to the interaction between the magnetic moments of the unpaired electron and protons has been theoretically studied to calculate the spontaneous emission lifetime between the ortho- and para-levels. The electron spin-nuclear spin interaction term, Tab(SaΔIb + SbΔIa) mixes ortho (I = 1) and para (I = 0) levels to cause the "forbidden" ortho to para |ΔI| = 1 transition. The mixing term with Tab = 72.0 MHz is 4 orders of magnitude higher for H2O(+) than for its neutral counterpart H2O where the magnetic field interacting with proton spins is by molecular rotation rather than the free electron. The resultant 10(8) increase of ortho to para conversion rate possibly makes the effect of conversion in H2O(+) measurable in laboratories and possibly explains the anomalous ortho to para ratio recently reported by Herschel heterodyne instrument for the far-infrared (HIFI) observation. Results of our calculations show that the ortho ↔ para mixings involving near-degenerate ortho and para levels are high (∼10(-3)), but they tend to occur at high energy levels, ∼300 K. Because of the rapid spontaneous emission, such high levels are not populated in diffuse clouds unless the radiative temperature of the environment is very high. The low-lying 101 (para) and 111 (ortho) levels of H2O(+) are mixed by ∼10(-4) making the spontaneous emission lifetime for the para 101 → ortho 000 transition 520 years and 5200 years depending on the F value of the hyperfine structure. Thus the ortho ↔ para conversion due to the unpaired electron is not likely to seriously affect thermalization of interstellar H2O(+) unless either the radiative temperature is very high or number density of the cloud is very low. PMID:23530629
ParaText : scalable text analysis and visualization.
Dunlavy, Daniel M.; Stanton, Eric T.; Shead, Timothy M.
Automated analysis of unstructured text documents (e.g., web pages, newswire articles, research publications, business reports) is a key capability for solving important problems in areas including decision making, risk assessment, social network analysis, intelligence analysis, scholarly research and others. However, as data sizes continue to grow in these areas, scalable processing, modeling, and semantic analysis of text collections becomes essential. In this paper, we present the ParaText text analysis engine, a distributed memory software framework for processing, modeling, and analyzing collections of unstructured text documents. Results on several document collections using hundreds of processors are presented to illustrate the exibility, extensibility, and scalability of the the entire process of text modeling from raw data ingestion to application analysis.
Pneumatic protection applied to an airbag for para-gliders
NASA Astrophysics Data System (ADS)
Raievski, V.; Valladas, G.
We present a theory of pneumatic protection based on the laws of thermodynamics, elasticity and fluid mechanics. A general pneumatic protection system is made up of several communicating compartments, the differences in pressure of the compartments generating a transfer of mass and energy between them. The transfer offers interesting possibilities to improve the performance of the system. An example of this type of protection in aerial sport is the airbag for para-gliders, it is used in this paper to illustrate the theory. As the pressure in the airbag depends uniquely on its volume, the geometric model in the theory can be simplified. Experiments carried out with crash-test dummies equipped with sensors have confirmed the theoretical predictions.
Spectroscopy of Defects in Epitaxially Grown Para-sexiphenyl Nanostructures
NASA Astrophysics Data System (ADS)
Kadashchuk, A.; Schols, S.; Skryshevski, Yu.; Beynik, I.; Teichert, C.; Hernandez-Sosa, G.; Sitter, H.; Andreev, A.; Frank, P.; Winkler, A.
We present a study of steady-state- and time-resolved photoluminescence of para-sexiphenyl (PSP) films on KCl grown by organic molecular beam epitaxy (OMBE). Using different OMBE growth conditions has enabled us to vary greatly the morphology of the PSP crystallites but keeping virtually untouched their chemical structure. By this comparative study we prove that the broad red-shifted emission band has a structure-related origin rather than being due to monomolecular oxidative defects. The relative intensity of the defect emission band observed in the delayed spectra was found to be drastically suppressed in the OMBE-grown films dominated by growth mounds composed of upright standing molecules as opposed to the films consisting of crystallites formed by molecules lying parallel to the substrate.
Para-Hydrogen-Enhanced Gas-Phase Magnetic Resonance Imaging
Bouchard, Louis-S.; Kovtunov, Kirill V.; Burt, Scott R.; Anwar,M. Sabieh; Koptyug, Igor V.; Sagdeev, Renad Z.; Pines, Alexander
Herein, we demonstrate magnetic resonance imaging (MRI) inthe gas phase using para-hydrogen (p-H2)-induced polarization. A reactantmixture of H2 enriched in the paraspin state and propylene gas is flowedthrough a reactor cell containing a heterogenized catalyst, Wilkinson'scatalyst immobilized on modified silica gel. The hydrogenation product,propane gas, is transferred to the NMR magnet and is spin-polarized as aresult of the ALTADENA (adiabatic longitudinal transport and dissociationengenders net alignment) effect. A polarization enhancement factor of 300relative to thermally polarized gas was observed in 1D1H NMR spectra.Enhancement was also evident in the magnetic resonance images. This isthe first demonstration of imaging a hyperpolarized gaseous productformed in a hydrogenation reaction catalyzed by a supported catalyst.This result may lead to several important applications, includingflow-through porous materials, gas-phase reaction kinetics and adsorptionstudies, and MRI in low fields, all using catalyst-free polarizedfluids.
Nuevos sistemas de frecuencia intermedia para el IAR
NASA Astrophysics Data System (ADS)
Olalde, J. C.; Perilli, D.; Larrarte, J. J.
Se presenta el diagrama en bloques de los nuevos sistemas de Frecuencia Intermedia para los dos radiómetros instalados en el IAR. Entre las características más importantes del sistema podemos mencionar la posibilidad de conectar cualquiera de las dos antenas a los ``backend" disponibles: analizador espectral de alta resolución (META II) de 0,05 Hz, autocorrelador de 1008 canales y contínuo. Se incorporan al sistema nuevos sintetizadores de frecuencia implementados con PLL y la moderna técnica de síntesis digital directa. Por último, el conjunto del sistema es susceptible de ser configurado por las computadoras de adquisición de datos, supervisadas por otra, que entrega el estado de funcionamiento actual y evita la selección de configuraciones incorrectas por parte del usuario.
Wave intensity analysis of para-aortic counterpulsation.
Lu, Pong-Jeu; Yang, Chi-Fu Jeffrey; Wu, Meng-Yu; Hung, Chun-Hao; Chan, Ming-Yao; Hsu, Tzu-Cheng
Wave intensity analysis (WIA) was used to delineate and maximize the efficacy of a newly developed para-aortic blood pump (PABP). The intra-aortic balloon pump (IABP) was employed as the comparison benchmark. Acute porcine experiments using eight pigs, randomly divided into IABP (n = 4) and PABP (n = 4) groups, were conducted to compare the characteristics of intra- and para-aortic counterpulsation. We measured pressure and velocity with probes installed in the left anterior descending coronary artery and aorta, during and without PABP assistance. Wave intensity for aortic and left coronary waves were derived from pressure and flow measurements with synchronization correction applied. To achieve maximized support efficacy, deflation timings ranging from 25 ms ahead of to 35 ms after the R-wave were tested. Similar to those associated with IABP counterpulsation, the PABP-generated backward-traveling waves predominantly drove aortic and coronary blood flows. However, in contrast with IABP counterpulsation, the nonocclusive nature of the PABP allowed systolic unloading to be delayed into early systole, which resulted in near elimination of coronary blood steal without diminution of systolic left ventricular ejection wave intensities. WIA can elucidate subtleties among different counterpulsatile support means with high sensitivity. Total accelerating wave intensity (TAWI), which was defined as the sum of the time integration of accelerated parts of the positive and negative wave intensities, was used to quantify counterpulsation efficacy. In general, the larger the TAWI gain, the better the counter-pulsatile support efficacy. However, when PABP deflation timings were delayed to after the R-wave, the TAWI was found to be inversely correlated with coronary perfusion. In this delayed deflation timing setting, greater wave cancellation occurred, which led to decreased TAWI but increased coronary perfusion attributed to blood regurgitation reduction. PMID:22227124
The Clearance of Creatinine, Inulin, Para-aminohippurate and Phenosulphothalein in the Cat
Osbaldiston, G. W.; Fuhrman, W.
Endogenous creatinine, inulin, para-amino-hippurate and phenolsulphothalein clearances for healthy cats are presented. The values for inulin and para-aminohippurate clearances (ml/kg/min) are similar to those for the dog. Creatinine clearance was less than inulin clearance values. Pnenolsulphothalein clearance may be a better index of glomerular rather than tubular function in the cat. PMID:4246836
Chiral phosphoric acid catalyzed asymmetric addition of naphthols to para-quinone methides.
Wong, Yuk Fai; Wang, Zhaobin; Sun, Jianwei
An asymmetric addition of naphthols to in situ generated para-quinone methides catalyzed by a chiral phosphoric acid is described. A range of useful triarylmethanes can be generated from stable general para-hydroxybenzyl alcohols with good efficiency and enantioselectivity. PMID:26932597
Para-meatal urethral cyst with bladder calculi: A case report and review of the literature.
Patil, Siddangouda B; Patil, Nikhil Ashok; Kundargi, Vinay S; Biradar, Ashok N
Para-meatal urethral cyst or median raphe cyst of the glans penis is a benign cystic lesion uncommonly encountered in prepubertal age group. Approximately, about 50 cases have been reported till date in the world literature. Herein we report a case of para-meatal urethral cyst concurrent with urinary bladder calculi. PMID:26539378
The parA resolvase performs site-specific genomic excision in Arabidopsis
Technology Transfer Automated Retrieval System (TEKTRAN)
We have designed a site-specific excision detection system in Arabidopsis to study the in planta activity of the small serine recombinase ParA. Using a transient expression assay as well as stable transgenic plant lines, we show that the ParA recombinase is catalytically active and capable of perfo...
Para-meatal urethral cyst with bladder calculi: A case report and review of the literature
Patil, Siddangouda B.; Patil, Nikhil Ashok; Kundargi, Vinay S.; Biradar, Ashok N.
Para-meatal urethral cyst or median raphe cyst of the glans penis is a benign cystic lesion uncommonly encountered in prepubertal age group. Approximately, about 50 cases have been reported till date in the world literature. Herein we report a case of para-meatal urethral cyst concurrent with urinary bladder calculi. PMID:26539378
Contribuciones tecnicas para la medida de la contaminacion electromagnetica de microondas. Estudio en diversas poblaciones
NASA Astrophysics Data System (ADS)
Segura Garcia, Jaume
La contaminacion ambiental por campos electromagneticos ha resultado ser en estos ultimos anos uno de los problemas mas acuciantes del panorama tecnologico y de salud publica. En el primero de los casos porque las inversiones realizadas son enormes y en el segundo porque cada vez es mayor el numero de articulos, "technical reports" e informes medicos que afirman la existencia de una cierta causalidad, aunque sea debil, entre los campos electromagneticos y ciertos cuadros sintomatologicos. En nuestro caso, hemos dedicado bastantes esfuerzos a investigar el llamado "sindrome de radiofrecuencia / microondas", denominado asi en la literatura cientifica por presentarse en operarios de estaciones de radar y en trabajadores de potentes emisoras de radio y television. En esta memoria presentamos un resumen del trabajo realizado durante los ultimos anos en la medida de la contaminacion electromagnetica ambiental asociado a las comunicaciones inalambricas. En ella se recogen los fundamentos fisicos y propiedades de las ondas electromagneticas, la tecnologia empleada en los sistemas de telefonia celular y los antecedentes relativos a la investigacion de la interaccion de las ondas electromagneticas con organismos vivos. Se desarrolla un procedimiento de medida que ha conducido a la elaboracion de los primeros "mapas de radiofrecuencia" similares, en el aspecto descriptivo, a los mapas de ruido desarrollados en el area de la contaminacion acustica. Por ultimo, se analiza la respuesta subjetiva de los residentes, personas que viven en el entorno de cobertura de las estaciones base de telefonia movil y que se ven sometidos a determinados niveles de radiacion electromagnetica, con el fin de situar este fenomeno al nivel que le corresponde en el ambito de la respuesta subjetiva ciudadana.
Under the skin: Biotransformation of para-aminophenol and para-phenylenediamine in reconstructed human epidermis and human hepatocytes.
Nohynek, Gerhard J; Duche, Daniel; Garrigues, Alexia; Meunier, Pierre-Alain; Toutain, Herve; Leclaire, Jacques
We investigated the biotransformation of the oxidative arylamine (AA) hair dye ingredients [14C]-para-aminophenol (PAP) and [14C]-para-phenylenediamine (PPD) in reconstructed human epidermis and human hepatocytes. Human epidermis quantitatively transformed PAP to its N-acetylated derivative (APAP), whereas hepatocytes transformed PAP to sulfate or glucuronic acid conjugates of APAP or PAP as well as free APAP. Epidermis and hepatocytes converted PPD to N-mono- (MAPPD) and N,N'-di-acetylated (DAPPD) derivatives. At higher concentrations of PPD (250-1000 microM), epidermis or hepatocytes produced more of the MAPPD, whereas concentrations below 250 microM and lower favoured formation of the DAPPD metabolite. When compared with epidermis, human hepatocytes had a three-fold or eight-fold greater capacity for generation of MAPPD or DAPPD, respectively. No evidence of transformation of PAP or PPD to N-hydroxylated derivatives was found in epidermis or hepatocytes. Our results suggest that (i) after dermal absorption of PAP or PPD, humans are systemically exposed to acetylated derivatives; (ii) current in vitro skin absorption studies may be inadapated for determination of human systemic exposure to AAs due to reduced or absent metabolic capacity of non-viable skin; (iii) due to qualitative differences between dermal and hepatic metabolism, oral toxicity studies may be unsuited for the hazard assessment of dermal exposure to AAs; and (iv) use of induced rodent liver S9 metabolic activation systems for in vitro genotoxicity studies may produce misleading results on the hazard of human dermal exposure to AAs. In conclusion, our data support the growing evidence that AAs are transformed in human skin and suggest that current practices of safety assessment of AAs should take these findings into account. PMID:15890478
Contextual Factors that Foster or Inhibit Para-Teacher Professional Development: The Case of an Indian, Non-Governmental Organization
ERIC Educational Resources Information Center
Raval, Harini; McKenney, Susan; Pieters, Jules
The appointment of para-professionals to overcome skill shortages and/or make efficient use of expensive resources is well established in both developing and developed countries. The present research concerns para-teachers in India. The literature on para-teachers is dominated by training for special needs settings, largely in developed societies.…
Females prefer carotenoid colored males as mates in the pentamorphic livebearing fish, Poecilia parae.
Bourne, Godfrey R; Breden, Felix; Allen, Teresa C
The first results of female preference and chosen male mating success in a new model organism, the pentamorphic livebearing fish, Poecilia parae, are presented. Poecilia parae is a relative of the guppy, P. reticulata, and is assumed to have similar reproductive behavior. We tested the hypothesis that P. parae females, like female guppies, prefer carotenoid colored males as mates. Here we show that the time a female spent with males was significantly greater for carotenoid coloration in red and yellow melanzona, but time with these two morphs did not differ. The preferred red and yellow males mated significantly more often with their choosing females than did the non-preferred blue and parae males. The few blue melanzona and parae males that mated did so without performing courtship displays. Some females mated with all phenotypes including immaculata males during open group trials. Female P. parae clearly preferred males with carotenoid coloration, thereby corroborating the hypothesis. Alternative male mating tactics by blue melanzona, parae, and immaculata morphs and promiscuous mating by females also resembled features of reproductive behaviors exhibited by guppies. PMID:14504782
Quantum fluctuations increase the self-diffusive motion of para-hydrogen in narrow carbon nanotubes.
Kowalczyk, Piotr; Gauden, Piotr A; Terzyk, Artur P; Furmaniak, Sylwester
Quantum fluctuations significantly increase the self-diffusive motion of para-hydrogen adsorbed in narrow carbon nanotubes at 30 K comparing to its classical counterpart. Rigorous Feynman's path integral calculations reveal that self-diffusive motion of para-hydrogen in a narrow (6,6) carbon nanotube at 30 K and pore densities below ∼29 mmol cm(-3) is one order of magnitude faster than the classical counterpart. We find that the zero-point energy and tunneling significantly smoothed out the free energy landscape of para-hydrogen molecules adsorbed in a narrow (6,6) carbon nanotube. This promotes a delocalization of the confined para-hydrogen at 30 K (i.e., population of unclassical paths due to quantum effects). Contrary the self-diffusive motion of classical para-hydrogen molecules in a narrow (6,6) carbon nanotube at 30 K is very slow. This is because classical para-hydrogen molecules undergo highly correlated movement when their collision diameter approached the carbon nanotube size (i.e., anomalous diffusion in quasi-one dimensional pores). On the basis of current results we predict that narrow single-walled carbon nanotubes are promising nanoporous molecular sieves being able to separate para-hydrogen molecules from mixtures of classical particles at cryogenic temperatures. PMID:21503294
Para-nitrobenzyl esterases with enhanced activity in aqueous and nonaqueous media
Arnold, F.H.; Moore, J.C.
A method is disclosed for isolating and identifying modified para-nitrobenzyl esterases which exhibit improved stability and/or esterase hydrolysis activity toward selected substrates and under selected reaction conditions relative to the unmodified para-nitrobenzyl esterase. The method involves preparing a library of modified para-nitrobenzyl esterase nucleic acid segments (genes) which have nucleotide sequences that differ from the nucleic acid segment which encodes for unmodified para-nitrobenzyl esterase. The library of modified para-nitrobenzyl nucleic acid segments is expressed to provide a plurality of modified enzymes. The clones expressing modified enzymes are then screened to identify which enzymes have improved esterase activity by measuring the ability of the enzymes to hydrolyze the selected substrate under the selected reaction conditions. Specific modified para-nitrobenzyl esterases are disclosed which have improved stability and/or ester hydrolysis activity in aqueous or aqueous-organic media relative to the stability and/or ester hydrolysis activity of unmodified naturally occurring para-nitrobenzyl esterase. 43 figs.
Para-nitrobenzyl esterases with enhanced activity in aqueous and nonaqueous media
Arnold, Frances H.; Moore, Jeffrey C.
A method for isolating and identifying modified para-nitrobenzyl esterases which exhibit improved stability and/or esterase hydrolysis activity toward selected substrates and under selected reaction conditions relative to the unmodified para-nitrobenzyl esterase. The method involves preparing a library of modified para-nitrobenzyl esterase nucleic acid segments (genes) which have nucleotide sequences that differ from the nucleic acid segment which encodes for unmodified para-nitrobenzyl esterase. The library of modified para-nitrobenzyl nucleic acid segments is expressed to provide a plurality of modified enzymes. The clones expressing modified enzymes are then screened to identify which enzymes have improved esterase activity by measuring the ability of the enzymes to hydrolyze the selected substrate under the selected reaction conditions. Specific modified para-nitrobenzyl esterases are disclosed which have improved stability and/or ester hydrolysis activity in aqueous or aqueous-organic media relative to the stability and/or ester hydrolysis activity of unmodified naturally occurring para-nitrobenzyl esterase.
Para-nitrobenzyl esterases with enhanced activity in aqueous and nonaqueous media
Arnold, Frances H.; Moore, Jeffrey C.
A method for isolating and identifying modified para-nitrobenzyl esterases which exhibit improved stability and/or esterase hydrolysis activity toward selected substrates and under selected reaction conditions relative to the unmodified para-nitrobenzyl esterase. The method involves preparing a library of modified para-nitrobenzyl esterase nucleic acid segments (genes) which have nucleotide sequences that differ from the nucleic acid segment which encodes for unmodified para-nitrobenzyl esterase. The library of modified para-nitrobenzyl nucleic acid segments is expressed to provide a plurality of modified enzymes. The clones expressing modified enzymes are then screened to identify which enzymes have improved esterase activity by measuring the ability of the enzymes to hydrolyze the selected substrate under the selected reaction conditions. Specific modified para-nitrobenzyl esterases are disclosed which have improved stability and/or ester hydrolysis activity in aqueous or aqueous-organic media relative to the stability and/or ester hydrolysis activity of unmodified naturally occurring para-nitrobenzyl esterase.
Para-nitrobenzyl esterases with enhanced activity in aqueous and nonaqueous media
Arnold, F.H.; Moore, J.C.
A method is disclosed for isolating and identifying modified para-nitrobenzyl esterases. These enzymes exhibit improved stability and/or esterase hydrolysis activity toward selected substrates and under selected reaction conditions relative to the unmodified para-nitrobenzyl esterase. The method involves preparing a library of modified para-nitrobenzyl esterase nucleic acid segments (genes) which have nucleotide sequences that differ from the nucleic acid segment which encodes for unmodified para-nitrobenzyl esterase. The library of modified para-nitrobenzyl nucleic acid segments is expressed to provide a plurality of modified enzymes. The clones expressing modified enzymes are then screened to identify which enzymes have improved esterase activity by measuring the ability of the enzymes to hydrolyze the selected substrate under the selected reaction conditions. Specific modified para-nitrobenzyl esterases are disclosed which have improved stability and/or ester hydrolysis activity in aqueous or aqueous-organic media relative to the stability and/or ester hydrolysis activity of unmodified naturally occurring para-nitrobenzyl esterase. 43 figs.
Para-hydrogen induced polarization in heterogeneous hydrogenationreactions
Koptyug, Igor V.; Kovtunov, Kirill; Burt, Scott R.; Anwar, M.Sabieh; Hilty, Christian; Han, Song-I; Pines, Alexander; Sagdeev, Renad Z.
We demonstrate the creation and observation ofpara-hydrogen-induced polarization in heterogeneous hydrogenationreactions. Wilkinson's catalyst, RhCl(PPh3)3, supported on eithermodified silica gel or a polymer, is shown to hydrogenate styrene intoethylbenzene and to produce enhanced spin polarizations, observed throughNMR, when the reaction was performed with H2 gas enriched in the paraspinisomer. Furthermore, gaseous phase para-hydrogenation of propylene topropane with two catalysts, the Wilkinson's catalyst supported onmodified silica gel and Rh(cod)(sulfos) (cod = cycloocta-1,5-diene;sulfos) - O3S(C6H4)CH2C(CH2PPh2)3) supported on silica gel, demonstratesheterogeneous catalytic conversion resulting in large spin polarizations.These experiments serve as a direct verification of the mechanism ofheterogeneous hydrogenation reactions involving immobilized metalcomplexes and can be potentially developed into a practical tool forproducing catalyst-free fluids with highly polarized nuclear spins for abroad range of hyperpolarized NMR and MRI applications.
DYNA3D/ParaDyn Regression Test Suite Inventory
Lin, J I
The following table constitutes an initial assessment of feature coverage across the regression test suite used for DYNA3D and ParaDyn. It documents the regression test suite at the time of production release 10.1 in September 2010. The columns of the table represent groupings of functionalities, e.g., material models. Each problem in the test suite is represented by a row in the table. All features exercised by the problem are denoted by a check mark in the corresponding column. The definition of ''feature'' has not been subdivided to its smallest unit of user input, e.g., algorithmic parameters specific to a particular type of contact surface. This represents a judgment to provide code developers and users a reasonable impression of feature coverage without expanding the width of the table by several multiples. All regression testing is run in parallel, typically with eight processors. Many are strictly regression tests acting as a check that the codes continue to produce adequately repeatable results as development unfolds, compilers change and platforms are replaced. A subset of the tests represents true verification problems that have been checked against analytical or other benchmark solutions. Users are welcomed to submit documented problems for inclusion in the test suite, especially if they are heavily exercising, and dependent upon, features that are currently underrepresented.
Anise oil as para-methoxyamphetamine (PMA) precursor.
Waumans, Dieter; Bruneel, Noël; Tytgat, Jan
These days, MDMA is one of the most popular drugs of abuse. Due to its illegality, MDMA and its chemical precursors are watched by governmental organizations in many countries. To avoid conflicts with legal instances, underground chemists have tried to market several new unregulated amphetamine analogues, such as 4-MTA. Para-methoxyamphetamine (PMA), on the other hand, is regulated by law but its precursors are easily obtained since they are cheap and unwatched. This article presents such a case, namely the large scale synthesis of PMA using anethole, a main constituent of anise oil, as precursor. Anethole has been converted to its phenyl acetone analogue via peracid oxidation, while PMA itself has been synthesized using this ketone as precursor in the Leuckart synthesis. The synthesis of PMA using anethole as starting product has been investigated applying GC/MS and GC-HSPME/MS techniques, hereby discovering new specific (4-methoxyphenol) and already identified synthesis impurities (4-methyl-5-(4-methoxyphenyl)pyrimidine, N-(beta-4-methoxyphenylisopropyl)-4-methoxybenzyl methyl ketimine, 1-(4-methoxyphenyl)-N-(2-(4-methoxyphenyl)-1-methylethyl-2-propanamine, 1-(4-methoxyphenyl)-N-methyl-N-(2-(4-methoxyphenyl)-1-methylethyl-2-propanamine, N-(beta-4-methoxyphenylisopropyl)-4-methoxybenzaldimine). The new impurity 4-methoxyphenol is specific for the application of a peracid oxidation method where anethole is used as precursor. PMID:12742705
Metabolism of para-aminophenol by rat hepatocytes.
Yan, Z; Nikelly, J G; Killmer, L; Tarloff, J B
Autoxidation of para-aminophenol (PAP) has been proposed to account for the selective nephrotoxicity of this compound. However, other studies suggest that hepatic metabolites of PAP rather than the parent compound may be responsible for renal damage. These studies were designed to investigate PAP metabolism in isolated hepatocytes. We synthesized several proposed metabolites for analysis by HPLC/mass spectrometry and compared those results with HPLC/mass spectrometric analyses of metabolites found after incubating hepatocytes with PAP. Hepatocytes prepared from male Sprague-Dawley rats were incubated in Krebs-Henseleit buffer at 37 degrees C for 5 h with 2.3 mM PAP under an atmosphere of 5% CO2/95% O2. Aliquots were withdrawn at 0.1 h of incubation and then hourly through 5 h of incubation. Reactions were terminated by the addition of acetonitrile. Hepatocyte viability was unaltered with PAP present in the incubation medium. We found that hepatocytes converted PAP to two major metabolites (PAP-GSH conjugates and PAP-N-acetylcysteine conjugates) and several minor metabolites [PAP-O-glucuronide, acetaminophen (APAP), APAP-O-glucuronide, APAP-GSH conjugates, and 4-hydroxyformanilide]. Preincubating hepatoyctes with 1-aminobenzotriazole, an inhibitor of cytochromes P450, did not alter the pattern of PAP metabolism. In conclusion, we found that PAP was metabolized in hepatocytes predominantly to PAP-GSH conjugates and PAP-N-acetylcysteine conjugates in sufficient quantities to account for the nephrotoxicity of PAP. PMID:10901695
Conformation of ionizable poly Para phenylene ethynylene in dilute solutions
Wijesinghe, Sidath; Maskey, Sabina; Perahia, Dvora; Grest, Gary S.
The conformation of dinonyl poly para phenylene ethynylenes (PPEs) with carboxylate side chains, equilibrated in solvents of different quality is studied using molecular dynamics simulations. PPEs are of interest because of their tunable electro-optical properties, chemical diversity, and functionality which are essential in wide range of applications. The polymer conformation determines the conjugation length and their assembly mode and affects electro-optical properties which are critical in their current and potential uses. The current study investigates the effect of carboxylate fraction on PPEs side chains on the conformation of chains in the dilute limit, in solvents of different quality. The dinonylmore » PPE chains are modeled atomistically, where the solvents are modeled both implicitly and explicitly. Dinonyl PPEs maintained a stretched out conformation up to a carboxylate fraction f of 0.7 in all solvents studied. The nonyl side chains are extended and oriented away from the PPE backbone in toluene and in implicit good solvent whereas in water and implicit poor solvent, the nonyl side chains are collapsed towards the PPE backbone. Thus, rotation around the aromatic ring is fast and no long range correlations are seen within the backbone.« less
Evidence for para dechlorination of polychlorobiphenyls by methanogenic bacteria
Ye, D.; Quensen, J.F.; Tiedje, J.M.
When microorganisms eluted from upper Hudson River sediment were cultured without any substrate except polychlorobiphenyl (PCB)-free Hudson River sediment, methane formation was the terminal step of the anaerobic food chain. In sediments containing Aroclor 1242, addition of eubacterium-inhibiting antibiotics, which should have directly inhibited fermentative bacteria and thereby should have indirectly inhibited methanogens, resulted in no dechlorination activity or methane production. However, when substrates for methanogenic bacteria were provided along with the antibiotics (to free the methanogens from dependence on eubacteria), concomitant methane production and dechlorination of PCBs were observed. The dechlorination of Aroclor 1242 was from the para positions, a pattern distinctly different from, and more limited than, the pattern observed with untreated or pasteurized inocula. Both methane production and dechlorination in cultures amended with antibiotics plus methanogenic substrates were inhibited by 2-bromoethanesulfonic acid. These results suggest that the methanogenic bacteria are among the physiological groups capable of anaerobic dechlorination of PCBs, but that the dechlorination observed with methanogenic bacteria is less extensive than the dechlorination observed with more complex anaerobic consortia. 27 refs., 5 figs., 1 tab.
Uninfected Para-Anastomotic Aneurysms after Infrarenal Aortic Grafting
Nano, Giovanni; Cusmai, Francesco; Ramponi, Fabio; Stegher, Silvia; Dell'Aglio, Daniela; Malacrida, Giovanni; Tealdi, Domenico G.
Purpose This single-institution retrospective review examines the management of uninfected para-anastomotic aneurysms of the abdominal aorta (PAAA), developed after infrarenal grafting. Materials and Methods From October 1979 to November 2005, 31 PAAA were observed in our Department. Twenty-six uninfected PAAA of degenerative etiology, including 24 false and 2 true aneurysms, were candidates for intervention and retrospectively included in our database for management and outcome evaluation. Six (23%) patients were treated as emergencies. Surgery included tube graft interposition (n = 12), new reconstruction (n = 8), and graft removal with extra-anatomic bypass (n = 3). Endovascular management (n = 3) consisted of free-flow tube endografts. Results The mortality rate among the elective and emergency cases was 5% and 66.6%, respectively (p = 0.005). The morbidity rate in elective cases was 57.8%, whereas 75% in emergency cases (p = 0.99). The survival rate during the follow-up was significantly higher for elective cases than for emergency cases. Conclusion Uninfected PAAA is a late complication of aortic grafting, tends to evolve silently and is difficult to diagnose. The prevalence is underestimated and increases with time since surgery. The mortality rate is higher among patients treated as an emergency than among patients who undergo elective surgery, therefore, elective treatment and aggressive management in the case of pseudoaneurysm are the keys to obtain a good outcome. Endovascular treatment could reduce mortality. Patients who undergo infrarenal aortic grafting require life-long surveillance after surgery. PMID:19430556
Para-Tyrosine Supplementation Improves Insulin- and Liraglutide- Induced Vasorelaxation in Cholesterol-Fed Rats.
Sélley, Eszter; Kun, Szilárd; Kürthy, Mária; Kovács, Tibor; Wittmann, István; Molnár, Gergo A
Former data of our workgroup indicated that the accumulation of oxidized amino acids (meta- and ortho-tyrosine) due to oxidative stress may play an important role in the impaired insulininduced vasoactive properties of different arterial segments. There are evidences, that incorporation of these amino acids into cellular proteins leads to certain hormonal resistances, which might be restored by supplementation with the physiologic isoform, para-tyrosine. Rats in the control group were kept on a regular diet, rats in the cholesterol-fed group received high-fat diet, while the third group of rats received high-fat diet with para-tyrosine supplementation for 16 weeks. Plasma cholesterol level was significantly higher in the cholesterol-fed group, while the level of cholesterol in the cholesterol+para-tyrosine group did not differ significantly from that of the controls. Plasma level of insulin after glucose stimulation was decreased in the cholesterol-fed group, while that in the para-tyrosine supplemented group did not differ significantly from the controls. Vascular para-, meta- and ortho-tyrosine content was measured with HPLC. Elevated vascular meta-tyrosine/para-tyrosine ratio of cholesterol fed rats could be avoided by para-tyrosine supplementation. Vascular response of the thoracic aorta to insulin and liraglutide was assessed by a DMT multi-myograph. Cholesterol feeding resulted in vascular insulin-and liraglutide resistance, which was restored by para-tyrosine supplementation. Incorporation of the oxidative stress induced pathological tyrosine isoforms leads to vascular-hormone-resistances. We show that the physiological amino acid para-tyrosine is capable of restoring hypercholesterolemia-induced increased meta-tyrosine content of the vascular wall, thus attenuating functional vascular damage. PMID:26202368
Endovascular Treatment of a Ruptured Para-Anastomotic Aneurysm of the Abdominal Aorta
Sfyroeras, Giorgos S.; Lioupis, Christos Bessias, Nikolaos; Maras, Dimitris; Pomoni, Maria; Andrikopoulos, Vassilios
We report a case of a ruptured para-anastomotic aortic aneurysm treated with implantation of a bifurcated stent-graft. A 72-year-old patient, who had undergone aortobifemoral bypass for aortoiliac occlusive disease 16 years ago, presented with a ruptured para-anastomotic aortic aneurysm. A bifurcated stent-graft was successfully deployed into the old bifurcated graft. This is the first report of a bifurcated stent-graft being placed through an 'end-to-side' anastomosed old aortobifemoral graft. Endovascular treatment of ruptured para-anastomotic aortic aneurysms can be accomplished successfully, avoiding open surgery which is associated with increased mortality and morbidity.
Measurement of the formaldehyde ortho to para ratio in three molecular clouds
NASA Technical Reports Server (NTRS)
Kahane, C.; Lucas, R.; Frerking, M. A.; Langer, W. D.; Encrenaz, P.
Observations of ortho and para H2CO in two types of clouds, a warm cloud (Orion A) and two cold clouds (L183 and TMC1), are presented. The ortho to para ratio in Orion deduced from the H2(C-13)O data is about three, while that for TMC1 is about one and that for L183 is 1-2. The former value is in agreement with the value calculated from chemical models of ortho and para H2CO production. The values for the cold clouds are consistent with thermal equilibrium at a temperature slightly smaller than 10 K.
Management of large para-esophageal hiatal hernias.
Collet, D; Luc, G; Chiche, L
Para-esophageal hernias are relatively rare and typically occur in elderly patients. The various presenting symptoms are non-specific and often occur in combination. These include symptoms of gastro-esophageal reflux (GERD) in 26 to 70% of cases, microcytic anemia in 17 to 47%, and respiratory symptoms in 9 to 59%. Respiratory symptoms are not completely resolved by surgical intervention. Acute complications such as gastric volvulus with incarceration or strangulation are rare (estimated incidence of 1.2% per patient per year) but gastric ischemia leading to perforation is the main cause of mortality. Only patients with symptomatic hernias should undergo surgery. Prophylactic repair to prevent acute incarceration should only be undertaken in patients younger than 75 in good condition; surgical indications must be discussed individually beyond this age. The laparoscopic approach is now generally accepted. Resection of the hernia sac is associated with a lower incidence of recurrence. Repair of the hiatus can be reinforced with prosthetic material (either synthetic or biologic), but the benefit of prosthetic repair has not been clearly shown. Results of prosthetic reinforcement vary in different studies; it has been variably associated with four times fewer recurrences or with no measurable difference. A Collis type gastroplasty may be useful to lengthen a foreshortened esophagus, but no objective criteria have been defined to support this approach. The anatomic recurrence rate can be as high as 60% at 12years. But most recurrences are asymptomatic and do not affect the quality of life index. It therefore seems more appropriate to evaluate functional results and quality of life measures rather than to gauge success by a strict evaluation of anatomic hernia reduction. PMID:24060742
Successful Mnemonics for "por"/"para" and Affirmative Commands with Pronouns.
ERIC Educational Resources Information Center
Mason, Keith
Two mnemonic devices, "4A Rule" and "PERFECT," are described to simplify the learning of two grammar points: the placement of object pronouns with respect to commands and the distinction between "por" and "para." (five references) (LB)
Tumores carcinoides gastrointestinales—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del tumor carcinoide gastrointestinal, así como referencias a estudios clínicos y otros temas relacionados.
Carcinoma de tumor primario desconocido—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del carcinoma de tumor primario desconocido, así como referencias a estudios clínicos y otros temas relacionados.
Efficient ortho-para conversion of H2 on interstellar grain surfaces
NASA Astrophysics Data System (ADS)
Bron, Emeric; Le Petit, Franck; Le Bourlot, Jacques
Context. Fast surface conversion between ortho- and para-H2 has been observed in laboratory studies, and it has been proposed that this mechanism plays a role in the control of the ortho-para ratio in the interstellar medium. Observations of rotational lines of H2 in photo-dissociation regions (PDRs) have indeed found significantly lower ortho-para ratios than expected at equilibrium. The mechanisms controlling the balance of the ortho-para ratio in the interstellar medium thus remain incompletely understood, while this ratio can affect the thermodynamical properties of the gas (equation of state, cooling function). Aims: We aim to build an accurate model of ortho-para conversion on dust surfaces based on the most recent experimental and theoretical results, and to validate it by comparison to observations of H2 rotational lines in PDRs. Methods: We propose a statistical model of ortho-para conversion on dust grains with fluctuating dust temperatures. It is based on a master equation approach. This computation is then coupled to full PDR models and compared to PDR observations. Results: We show that the observations of rotational H2 lines indicate a high conversion efficiency on dust grains and that this high efficiency can be accounted for if taking dust temperature fluctuations into account with our statistical model of surface conversion. Simpler models that neglect the dust temperature fluctuations do not reach the high efficiency deduced from the observations. Moreover, this high efficiency induced by dust temperature fluctuations is very insensitive to the values of the model's microphysical parameters. Conclusions: Ortho-para conversion on grains is thus an efficient mechanism in most astrophysical conditions and can play a significant role in controlling the ortho-para ratio.
A comparison of extraperitoneal versus transperitoneal laparoscopic para-aortic lymphadenectomy for staging of endometrial carcinoma
Pakish, Janelle; Soliman, Pamela T.; Frumovitz, Michael; Westin, Shannon N.; Schmeler, Kathleen M.; dos Reis, Ricardo; Munsell, Mark F.; Ramirez, Pedro T.
Objective The objective of our study was to compare the surgical outcomes of extraperitoneal laparoscopic, transperitoneal laparoscopic, and robotic transperitoneal para-aortic lymphadenectomy in endometrial cancer staging. Methods A retrospective review was performed from January 2007 to November 2012. Three groups were compared: extraperitoneal laparoscopic para-aortic lymphadenectomy and robotic hysterectomy and pelvic lymphadenectomy ("extraperitoneal group"; N=34); laparoscopic hysterectomy and transperitoneal pelvic and para-aortic lymphadenectomy ("transperitoneal laparoscopic group"; N=108); and robotic hysterectomy and transperitoneal pelvic and para-aortic lymphadenectomy ("transperitoneal robotic group"; N=52). Fisher's exact test and Kruskal-Wallis test were used for statistical analysis, and statistical significance was defined as P< 0.05. Results Median number of para-aortic lymph nodes obtained was higher in the extraperitoneal group than in the transperitoneal laparoscopic and robotic groups (10, 5, and 4.5 nodes, respectively; P<0.001). Among patients with BMI <35 kg/m2, the median number of para-aortic nodes harvested was higher in the extraperitoneal group than in the transperitoneal laparoscopic and robotic groups (9, 4, and 5 nodes, respectively; P<0.01). The same pattern was observed among patients with BMI ≥35 kg/m2 (10, 6, and 3 nodes, respectively) (P=0.001). There was no significant difference in median estimated blood loss between the extraperitoneal group and either the transperitoneal laparoscopic group (100 vs. 112.5 mL; P=0.06) or the transperitoneal robotic group (100 vs. 67.5 mL; P=0.23). Conclusion Extraperitoneal laparoscopic para-aortic lymphadenectomy resulted in a higher number of para-aortic lymph nodes removed than transperitoneal laparoscopic or robotic lymphadenectomy. The extraperitoneal approach should be considered for endometrial cancer staging. PMID:24361579
Ortho-Para Mixing Interaction in the Vinyl Radical Detected by Millimeter-Wave Spectroscopy and Prediction of Fast Ortho-Para Conversion Rate
NASA Astrophysics Data System (ADS)
Tanaka, Keiichi; Hayashi, Masato; Ohtsuki, Mitsuhiko; Harada, Kensuke; Tanaka, Takehiko
Ortho-para mixing interaction due to the coupling of nuclear and electron spins was detected for the first time by millimeter-wave spectroscopy of deuterated vinyl radicals, H_2CCD and D_2CCD, of which the ground states are split by the tunneling motion of the α deuteron into two components 0^+ and 0^-, whose separations have been determined to be Δ E_0 = 1186.644(16) and 771.978(18) MHz, respectively. The observed tunneling-rotation spectra are significantly perturbed by the othro-para mixing interaction expressed by < 0^± |H'|0^mprangle = (δ aF(β)/2) S \\cdot(I_β 1-I_β 2), where I_β 1 and I_β 2 are spins of the two hydrogen nuclei in the β position and S is the electron spin, which connects rotational levels in the 0^+ and 0^- states, one being an ortho level and the other a para level. The δ aF(β) constants for H_2CCD and D_2CCD have been determined to be 68.06(53) and 10.63(94) MHz, respectively, consistent each other within the isotopic mass relation. The othro and para states are mixed by about 0.097% and 0.0123% due to this interaction. The δ aF constant for H_2CCH should be similar to that for H_2CCD because of the same probability density of the unpaired electron at the β protons, but could not be determined independently in our previous study. It is because the mixing of para- and ortho-levels of about 0.00044% is much smaller than that for H_2CCD due to the large tunneling splitting of Δ E_0=16271.8429(59) MHz. The rate constant of para to ortho (I_β = 0 → 1) conversion is predicted as 1.2× 10^5 s-1 torr-1 for H_2CCD, suggesting extremely rapid mutual conversion between ortho and para nuclear spin isomers of H_2CCD, which is more than 106 times faster compared with that in closed shell molecules such as H_2CO and H_2CCH_2. K. Tanaka, M. Hayashi, M. Ohtsuki, K. Harada, T. Tanaka, J. Chem. Phys., 131, 111101 (2009). K. Tanaka, M. Toshimitsu, K. Harada, T. Tanaka, J. Chem. Phys., 120, 3604 (2004).
para-Sulphonato-calix[n]arenes as selective activators for the passage of molecules across the Caco-2 model intestinal membrane.
Roka, Eszter; Vecsernyes, Miklos; Bacskay, Ildiko; Félix, Caroline; Rhimi, Moez; Coleman, Anthony W; Perret, Florent
The passage of Lucifer Yellow across the Caco-2 intestinal model membrane has been studied for the para-sulphonato-calix[n]arenes, the results show that para-sulphonato-calix[4]arene and para-sulphonato-calix[8]arene activate membrane passage when used simultaneously with a transport probe, Lucifer Yellow, whereas para-sulphonato-calix[6]arene has no effect. PMID:25958962
Vesicular erythema multiforme-like reaction to para-phenylenediamine in a henna tattoo.
Sidwell, Rachel U; Francis, Nick D; Basarab, Tamara; Morar, Nilesh
Allergic contact dermatitis reaction to topical "black henna" tattoo is usually described secondary to the organic dye para-phenylenediamine, a derivative of analine. Allergic contact dermatitis reactions to para-phenylenediamine are well recognized and most commonly involve an eczematous reaction that may become generalized and an acute angio-edema. Only four previous instances have been reported of an erythema multiforme-like reaction to para-phenylenediamine and its derivatives, including only one mild reaction to a tattoo. A vesicular erythema multiforme-like reaction has not been reported. An erythema multiforme-like reaction to contact allergens is usually caused by potent allergens including plant quinolones in Compositae and sesquiterpene lactones in exotic woods, and it is also reported to topical drugs, epoxy resin, metals (particularly nickel), and various chemicals. A generalized vesicular erythema multiforme-like reaction is unusual, and rarely reported. We describe a 6-year-old boy who developed a localized, eczematous and severe generalized vesicular erythema multiforme-like contact allergy to para-phenylenediamine secondary to a henna tattoo. As henna tattoos are becoming increasingly popular, one should be aware of the possibility of such a reaction. This presentation also highlights the call to ban the use of para-phenylenediamine and its derivatives in dyes. PMID:18429780
Sistemas Correctores de Campo Para EL Telescopio Ritchey-Chretien UNAM212
NASA Astrophysics Data System (ADS)
Cobos, F. J.; Galan, M. J.
El telescopio UNAM2l2 fue inaugurado hace siete años y concebido para trabajar en las razones focales: f/7.5, F/13.5, F/27 y F/98. El diseño Ritchey-Chretién corresponde a la razón focal F/7.5 y el foco primario (F/2.286) no se consideró como utilizable para fotografía directa. En el Instituto de Astronomía de la UNAM, se diseñó y construyó un sistema corrector de campo para la razón focal F/7.5, que actualmente está en funcionamiento. Dentro de un programa de colaboración en diseflo y evaluación de sistemas ópticos, entre el Instituto de Astrofísica de Canarias y el Instituto de Astronomía de la UNAM, decidimos intentar el diseño de una correctora de campo para el foco primario del tȩlescopio UNAM212 bajo la consideración de que no son insalvables los problemas que implicaría su instalación y de que es muy posible que, en un futuro relativamente cercano, podamom tener un detector bidimenmional tipo Mepsicrón cuya área sensible haga tentadora la idea de construir la cámara directa para foco primario
On the Ortho:Para Ratio of H+ 3 in Diffuse Molecular Clouds
NASA Astrophysics Data System (ADS)
Crabtree, Kyle N.; Indriolo, Nick; Kreckel, Holger; Tom, Brian A.; McCall, Benjamin J.
The excitation temperature T 01 derived from the relative intensities of the J = 0 (para) and J = 1 (ortho) rotational levels of H2 has been assumed to be an accurate measure of the kinetic temperature in interstellar environments. In diffuse molecular clouds, the average value of T 01 is ~70 K. However, the excitation temperature T(H+ 3) derived from the (J, K) = (1, 1) (para) and (1, 0) (ortho) rotational levels of H+ 3 has been observed to be ~30 K in the same types of environments. In this work, we present observations of H+ 3 in three additional diffuse cloud sight lines for which H2 measurements are available, showing that in four of five cases T 01 and T(H+ 3) are discrepant. We then examine the thermalization mechanisms for the ortho:para ratios of H+ 3 and H2, concluding that indeed T 01 is an accurate measure of the cloud kinetic temperature, while the ortho:para ratio of H+ 3 need not be thermal. By constructing a steady-state chemical model taking into account the nuclear spin dependence of reactions involving H+ 3, we show that the ortho:para ratio of H+ 3 in diffuse molecular clouds is likely governed by a competition between dissociative recombination with electrons and thermalization via reactive collisions with H2. Based in part on observations made with ESO Telescopes at the La Silla or Paranal Observatories under program ID 384.C-0618.
The formaldehyde ortho/para ratio as a probe of dark cloud chemistry and evolution
NASA Technical Reports Server (NTRS)
Dickens, J. E.; Irvine, W. M.
We present measurements of the H2CO ortho/para ratio toward four star-forming cores, L723, L1228, L1527, and L43, and one quiescent core, L1498. Combining these data with earlier results by Minh et al., three quiescent cores are found to have ortho/para ratios near 3, the ratio of statistical weights expected for gas-phase formation processes. In contrast, ortho/para ratios are 1.5-2.1 in five star-forming cores, suggesting thermalization at a kinetic temperature of 10 K. We attribute modification of the ortho/para ratio in the latter cores to formation and/or equilibration of H2CO on grains with sub-sequent release back into the gas phase due to the increased energy inputs from the forming star and outflow. We see accompanying enhancements in the H2CO abundance relative to H, to support this idea. The results suggest that the formaldehyde ortho/para ratio can differentiate between quiescent cores and those in which low-mass star formation has occurred.
Terahertz absorption spectrum of para and ortho water vapors at different humidities at room temperature
NASA Astrophysics Data System (ADS)
Xin, X.; Altan, H.; Saint, A.; Matten, D.; Alfano, R. R.
Terahertz time-domain spectroscopy has been used to measure the absorption of water vapor in 0.2-2.4THz range from low to high humidity at room temperature. The observed absorption lines are due to the water molecular rotations in the ground vibrational state. We find that the absorption strength of para transitions increases as humidity increases, while the absorption strength of ortho transitions increases and then decreases in intensity with increasing humidity. We explain this difference based on the nuclear spin statistics based ratio of ortho to para water monomer populations at room temperature. The preferential adsorption on the solid surfaces of para water leads to an ortho dominated vapor cloud whose monomer rotational absorption intensity decreases due to the effects of dimerization, molecular collisions, clustering, and interactions with liquid droplets at high concentrations.
Production and characterization of para-hydrogen gas for matrix isolation infrared spectroscopy
NASA Astrophysics Data System (ADS)
Sundararajan, K.; Sankaran, K.; Ramanathan, N.; Gopi, R.
Normal hydrogen (n-H2) has 3:1 ortho/para ratio and the production of enriched para-hydrogen (p-H2) from normal hydrogen is useful for many applications including matrix isolation experiments. In this paper, we describe the design, development and fabrication of the ortho-para converter that is capable of producing enriched p-H2. The p-H2 thus produced was probed using infrared and Raman techniques. Using infrared measurement, the thickness and the purity of the p-H2 matrix were determined. The purity of p-H2 was determined to be >99%. Matrix isolation infrared spectra of trimethylphosphate (TMP) and acetylene (C2H2) were studied in p-H2 and n-H2 matrices and the results were compared with the conventional inert matrices.
Electrical detection of ortho-para conversion in fullerene-encapsulated water
NASA Astrophysics Data System (ADS)
Meier, Benno; Mamone, Salvatore; Concistrè, Maria; Alonso-Valdesueiro, Javier; Krachmalnicoff, Andrea; Whitby, Richard J.; Levitt, Malcolm H.
Water exists in two spin isomers, ortho and para, that have different nuclear spin states. In bulk water, rapid proton exchange and hindered molecular rotation obscure the direct observation of two spin isomers. The supramolecular endofullerene H2O@C60 provides freely rotating, isolated water molecules even at cryogenic temperatures. Here we show that the bulk dielectric constant of this substance depends on the ortho/para ratio, and changes slowly in time after a sudden temperature jump, due to nuclear spin conversion. The attribution of the effect to ortho-para conversion is validated by comparison with nuclear magnetic resonance and quantum theory. The change in dielectric constant is consistent with an electric dipole moment of 0.51+/-0.05 Debye for an encapsulated water molecule, indicating the partial shielding of the water dipole by the encapsulating cage. The dependence of bulk dielectric constant on nuclear spin isomer composition appears to be a previously unreported physical phenomenon.
Quantitative structure–activity relationship analysis of the pharmacology of para-substituted methcathinone analogues
Bonano, J S; Banks, M L; Kolanos, R; Sakloth, F; Barnier, M L; Glennon, R A; Cozzi, N V; Partilla, J S; Baumann, M H; Negus, S S
Background and Purpose Methcathinone (MCAT) is a potent monoamine releaser and parent compound to emerging drugs of abuse including mephedrone (4-CH3 MCAT), the para-methyl analogue of MCAT. This study examined quantitative structure–activity relationships (QSAR) for MCAT and six para-substituted MCAT analogues on (a) in vitro potency to promote monoamine release via dopamine and serotonin transporters (DAT and SERT, respectively), and (b) in vivo modulation of intracranial self-stimulation (ICSS), a behavioural procedure used to evaluate abuse potential. Neurochemical and behavioural effects were correlated with steric (Es), electronic (σp) and lipophilic (πp) parameters of the para substituents. Experimental Approach For neurochemical studies, drug effects on monoamine release through DAT and SERT were evaluated in rat brain synaptosomes. For behavioural studies, drug effects were tested in male Sprague-Dawley rats implanted with electrodes targeting the medial forebrain bundle and trained to lever-press for electrical brain stimulation. Key Results MCAT and all six para-substituted analogues increased monoamine release via DAT and SERT and dose- and time-dependently modulated ICSS. In vitro selectivity for DAT versus SERT correlated with in vivo efficacy to produce abuse-related ICSS facilitation. In addition, the Es values of the para substituents correlated with both selectivity for DAT versus SERT and magnitude of ICSS facilitation. Conclusions and Implications Selectivity for DAT versus SERT in vitro is a key determinant of abuse-related ICSS facilitation by these MCAT analogues, and steric aspects of the para substituent of the MCAT scaffold (indicated by Es) are key determinants of this selectivity. PMID:25438806
Experiments at Scale with In-Situ Visualization Using ParaView/Catalyst in RAGE
Kares, Robert John
In this paper I describe some numerical experiments performed using the ParaView/Catalyst in-situ visualization infrastructure deployed in the Los Alamos RAGE radiation-hydrodynamics code to produce images from a running large scale 3D ICF simulation on the Cielo supercomputer at Los Alamos. The detailed procedures for the creation of the visualizations using ParaView/Catalyst are discussed and several images sequences from the ICF simulation problem produced with the in-situ method are presented. My impressions and conclusions concerning the use of the in-situ visualization method in RAGE are discussed.
Simulation Studies of the Vibrational Dynamics of para-HYDROGEN Clusters
NASA Astrophysics Data System (ADS)
Faruk, Nabil F.; Yang, Jing; Le Roy, Robert J.; Roy, Pierre-Nicholas
This paper discusses the construction and application of reduced-dimensional potential energy surfaces for use in performing simulation of para-hydrogen clusters. Simple spherical averaging and `adiabatic-hindered-rotor' averaging treatments of the angular degrees of freedom are considered and compared. The resulting one-dimensional surface is used in quantum Monte Carlo simulations of para-hydrogen clusters of varying sizes. Energetic, and structural properties are computed and compared to previously published results, and vibrational frequency shifts are predicted and compared to available experimental measurements. H. Li, P.N. Roy and R.J. Le Roy, J. Chem. Phys. 133, 104305 (2010).
Le lipome para testiculaire: à propos d'un cas rare
Lasri, Abdelouahed; Lamchahab, Hamza; Lahyani, Mounir; Karmouni, Tarik; Elkhader, Khalid; Koutani, Abdellatif; Andaloussi, Ahmed Ibn Attya
Les tumeurs para testiculaires sont des tumeurs rares et complexes qui ont une symptomatologie insidieuse et pauvre. Les formes bénignes représentent 70%. Le lipome para testiculaire étant le type le plus fréquent. L'examen clinique est peu spécifique. L'examen échographique est la pierre angulaire pour assoir le diagnostic. Le traitement chirurgical s'impose en cas de tumeur symptomatique, l'histologie étant habituellement typique permet la confirmation diagnostique. Le pronostic est bon malgré d'éventuelles récidives. PMID:26175802
Quantum rotation of ortho and para-water encapsulated in a fullerene cage
Beduz, Carlo; Carravetta, Marina; Chen, Judy Y.-C.; Concistrè, Maria; Denning, Mark; Frunzi, Michael; Horsewill, Anthony J.; Johannessen, Ole G.; Lawler, Ronald; Lei, Xuegong; Levitt, Malcolm H.; Li, Yongjun; Mamone, Salvatore; Murata, Yasujiro; Nagel, Urmas; Nishida, Tomoko; Ollivier, Jacques; Rols, Stéphane; Rõõm, Toomas; Sarkar, Riddhiman; Turro, Nicholas J.; Yang, Yifeng
Inelastic neutron scattering, far-infrared spectroscopy, and cryogenic nuclear magnetic resonance are used to investigate the quantized rotation and ortho–para conversion of single water molecules trapped inside closed fullerene cages. The existence of metastable ortho-water molecules is demonstrated, and the interconversion of ortho-and para-water spin isomers is tracked in real time. Our investigation reveals that the ground state of encapsulated ortho water has a lifted degeneracy, associated with symmetry-breaking of the water environment. PMID:22837402
[PDS cord fixation of sternoclavicular dislocation and para-articular clavicular fractures].
Friedl, W; Fritz, T
Sternoclavicular joint dislocation and para-articular fractures of the clavicle are rare injuries. Because severe complications of dorsal dislocations have often been seen and because functional impairment has often followed ventral dislocations, we treat most patients with such injuries operatively. Internal fixation with K-wires frequently leads to severe complications. We present our operation techniques with a resorbable 2 mm polydioxanon cord. This pack up technique can be used in both dislocations and para-articular fractures with no risk of implant dislocation. PMID:8052863
In para totale...una cosa da panico...sulla lingua dei giovani in Italia (In para totale...una cosa da panico...The Language of Young People in Italy).
ERIC Educational Resources Information Center
Marcato, Carla
Describes and analyzes the language of young people in Italy today. Particular focus is on the expressions using "para" (e.g., "in para totale" = to be very bored or worried) and the phrase "una cosa da panico" (something terrible or its opposite something wonderful). (CFM)
The paper reports results of dynamic and static chamber tests to evaluate para-dichlorobenzene emission rates from mothcakes. he data were analyzed by a model that assumes that the para-dichlorobenzene emission from mothcakes is a temperature-sensitive sublimation process. ull-sc...
Mothcakes made of para-dichlorobenzene have been widely available for the general population to be used as a moth repellant to protect garments from insect damage. Usually, a mothcake is expected to last for weeks or even months during which the para-dichlorobenzene emits slowly ...
Experimental and theoretical investigation of para-aminophenol ionization in corona discharge
NASA Astrophysics Data System (ADS)
Bahrami, H.; Salehabadi, H.
Ionization of para-aminophenol was investigated using an ion mobility spectrometer equipped with a corona discharge as ionization source. The experimental results were confirmed with the use of theoretical method, based on density functional theory. Two peaks were observed in the ion mobility spectrum in the positive ion mode which was corresponded to the protonated isomers of para-aminophenol. It was observed that the relative intensities of the peaks depend on the sample concentration and the nature of the reactant ions. The relative energies of ions derived from protonation of para-aminophenol and its topical proton affinities were determined for different sites in the gas phase. The peak with the lower drift time was assigned to the oxygen protonated isomer and the other peak was ascribed to the nitrogen protonated isomer of para-aminophenol. The calculated dipole moment and localized charge of each isomer were used to verify the ion mobility peak separation. It was shown that combination of theoretical and experimental tools leads to reliable prediction of reactive protonation sites of chemicals in a corona discharge.
Synthesis and properties of para-substituted NCN-pincer palladium and platinum complexes.
Slagt, Martijn Q; Rodríguez, Gema; Grutters, Michiel M P; Klein Gebbink, Robertus J M; Klopper, Wim; Jenneskens, Leonardus W; Lutz, Martin; Spek, Anthony L; van Koten, Gerard
A variety of para-substituted NCN-pincer palladium(II) and platinum(II) complexes [MX(NCN-Z)] (M=Pd(II), Pt(II); X=Cl, Br, I; NCN-Z=[2,6-(CH(2)NMe(2))(2)C(6)H(2)-4-Z](-); Z=NO(2), COOH, SO(3)H, PO(OEt)(2), PO(OH)(OEt), PO(OH)(2), CH(2)OH, SMe, NH(2)) were synthesised by routes involving substitution reactions, either prior to or, notably, after metalation of the ligand. The solubility of the pincer complexes is dominated by the nature of the para substituent Z, which renders several complexes water-soluble. The influence of the para substituent on the electronic properties of the metal centre was studied by (195)Pt NMR spectroscopy and DFT calculations. Both the (195)Pt chemical shift and the calculated natural population charge on platinum correlate linearly with the sigma(p) Hammett substituent constants, and thus the electronic properties of predesigned pincer complexes can be predicted. The sigma(p) value for the para-PtI group itself was determined to be -1.18 in methanol and -0.72 in water/methanol (1/1). Complexes substituted with protic functional groups (CH(2)OH, COOH) exist as dimers in the solid state due to intermolecular hydrogen-bonding interactions. PMID:15034878
Cáncer de páncreas—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del cáncer de páncreas, así como referencias a estudios clínicos, investigación y otros temas relacionados con este tipo de cáncer.
Cáncer de vagina—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del cáncer de vagina, así como referencias a estudios clínicos, investigación y otros temas relacionados con este tipo de cáncer.
An Analysis of Interlanguage Development Over Time: Part 1, "por" and "para".
ERIC Educational Resources Information Center
Guntermann, Gail
The first part of a larger planned investigation, this study examines the use of "por" and "para" by nine Peace Corps volunteers in oral interviews at the end of training and roughly one year later, to trace their acquisition over time, in two learning contexts. (24 references) (LB)
The Acquisition of Lexical Meaning in a Study Abroad Context: The Spanish Prepositions "por" and "para."
ERIC Educational Resources Information Center
Lafford, Barbara A.; Ryan, John M.
Examination of the development of form/function relations of the prepositions "por" and "para" at different levels of proficiency in the interlanguage of study-abroad students in Granada, Spain, revealed "noncanonical" as well as "canonical" uses of these prepositions. The most common noncanonical uses were as substitutions for other prepositions…
Preguntas para hacerle al doctor acerca del cáncer
Serie de preguntas, organizadas por tema, que los pacientes con cáncer pueden hacer al médico o a otros miembros de su equipo de atención médica para conocer más acerca de su tipo de cáncer y lo que pueden esperar.
Terapia hormonal para la menopausia y el cáncer
Hoja informativa acerca de los resultados de los estudios sobre el uso de la terapia hormonal para la menopausia. Incluye información sobre el efecto de esta terapia en el cuerpo y explica los riesgos y beneficios del uso de hormonas.
Resultados de estudio para cáncer de pulmón indica
El Instituto Nacional del Cáncer (NCI) da a conocer hoy resultados iniciales de un estudio de gran envergadura sobre métodos de detección para reducir el número de muertes por cáncer de pulmón al detectar cánceres en estadios relativamente iniciales.
Factor Structure of the "Escala de Autoeficacia para la Depresion en Adolescentes" (EADA)
ERIC Educational Resources Information Center
Diaz-Santos, Mirella; Cumba-Aviles, Eduardo; Bernal, Guillermo; Rivera-Medina, Carmen
The current concept and measures of self-efficacy for depression in adolescents do not consider developmental and cultural aspects essential to understand and assess this construct in Latino youth. We examined the factor structure of the "Escala de Autoeficacia para la Depresion en Adolescentes" (EADA), a Spanish instrument designed to assess this…
Sarcoma de tejido blando—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del sarcoma de tejido blando, así como referencias a estudios clínicos, investigación, estadísticas y otros temas relacionados con este tipo de cáncer.
Cannabis y canabinoides (PDQ®)—Versión para profesionales de salud
Resumen de información revisada por expertos sobre el uso del Cannabis y canabinoides para el tratamiento de los efectos secundarios relacionados con el tratamiento del cáncer, como la náusea y el vómito.
Cannabis y canabinoides (PDQ®)—Versión para pacientes
Resumen de información revisada por expertos sobre el uso del Cannabis y canabinoides para el tratamiento de los efectos secundarios relacionados con el tratamiento del cáncer como la náusea y el vómito.
Cáncer de intestino delgado—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del cáncer de intestino delgado, así como referencias a estudios clínicos, investigación y otros temas relacionados con este tipo de cáncer.
Interrupting Commemoration: Thinking with Art, Thinking through the Strictures of Argentina's "Espacio para la memoria"
ERIC Educational Resources Information Center
Paolantonio, Mario Di
Recently, a few buildings within the "Espacio para la memoria" in Buenos Aires have been designated as a UNESCO Centre where, amongst other educational activities, evidentiary materials of the past repression are to be stored and displayed. Another building in the complex houses a Community Centre operated by the Mothers of the Plaza de Mayo,…
Cáncer colorrectal—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento, la prevención, las causas y los exámenes de detección del cáncer de colon y recto, así como referencias a estudios clínicos, estadísticas y otros temas.
Estudios ALCHEMIST para el cáncer de pulmón en estadio inicial
ALCHEMIST comprende tres estudios clínicos integrados de medicina de precisión diseñados para identificar a personas con cáncer de pulmón en estadio inicial cuyos tumores tienen ciertos cambios genéticos poco comunes.
Can para-aryl-dithiols cross-link two plasmonic noble nanoparticles as monolayer dithiolate spacers
Technology Transfer Automated Retrieval System (TEKTRAN)
Para-aryl-dithiols (PADTs, HS-(C6H4)n-SH, n = 1, 2, and 3) have been used extensively in molecular electronics, surface-enhanced Raman spectroscopy (SERS), and quantum electron tunneling between two gold or silver nanoparticles (AuNPs and AgNPs). One popular belief is that these dithiols cross-link ...
Cáncer de la corteza suprarrenal—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del carcinoma de corteza suprarrenal, así como referencias a estudios clínicos, investigación y otros temas relacionados con este tipo de cáncer.
Tumores de hipófisis—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del tumor de hipófisis, así como referencias a estudios clínicos, investigación y otros temas relacionados.
Cáncer de útero—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento, la prevención, las causas y los exámenes de detección del cáncer uterino, así como referencias a estudios clínicos, investigación, estadísticas y otros temas.
Tumores extracraneales de células germinativas—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del tumor extracraneal de células germinativas en los niños, así como referencias a estudios clínicos y otros temas relacionados.
Cáncer de ano—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del cáncer de ano, así como referencias a estudios clínicos y otros temas relacionados con este tipo de cáncer.
Cáncer de tiroides—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del cáncer de tiroides, así como referencias a estudios clínicos, investigación y otros temas relacionados con este tipo de cáncer.
Cáncer de pene—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del cáncer de pene, así como referencias a estudios clínicos, investigación y otros temas relacionados con este tipo de cáncer.
Cáncer de testículo—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento, las causas y los exámenes de detección del cáncer de testículo, así como referencias a estudios clínicos, investigación y otros temas.
Cáncer de vejiga—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento, las causas y los exámenes de detección del cáncer de vejiga, así como referencias a estudios clínicos, investigación, estadísticas y otros temas.
Cáncer de vulva—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del cáncer de vulva, así como referencias a estudios clínicos, investigación y otros temas relacionados con este tipo de cáncer.
Cáncer de paratiroides—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del cáncer de paratiroides, así como referencias a estudios clínicos, investigación y otros temas relacionados con este tipo de cáncer.
Cáncer de uretra—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del cáncer de uretra, así como referencias a estudios clínicos y otros temas relacionados con este tipo de cáncer.
Antimicrobial effect of para-alkoxyphenylcarbamic acid esters containing substituted N-phenylpiperazine moiety
Malík, Ivan; Bukovský, Marián; Andriamainty, Fils; Gališinová, Jana
In current research, nine basic esters of para-alkoxyphenylcarbamic acid with incorporated 4-(4-fluoro-/3-trifluoromethylphenyl)piperazin-1-yl fragment, 6i–6m and 8f–8i, were screened for their in vitro antimicrobial activity against Candida albicans, Staphylococcus aureus and Escherichia coli, respectively. Taking into account the minimum inhibitory concentration assay (MIC), as the most active against given yeast was evaluated 8i (MIC = 0.20 mg/mL), the most lipophilic structure containing para-butoxy and trifluoromethyl substituents. Investigating the efficiency of the compounds bearing only a single atom of fluorine and appropriate para-alkoxy side chain against Candida albicans, the cut-off effect was observed. From evaluated homological series, the maximum of the effectiveness was noticed for the stucture 6 k (MIC = 0.39 mg/mL), containing para-propoxy group attached to phenylcarbamoyloxy fragment, beyond which the compounds ceased to be active. On the contrary, all the tested molecules were against Staphylococcus aureus and Escherichia coli (MICs > 1.00 mg/mL) practically inactive. PMID:24294237
Delirio (PDQ®)—Versión para profesionales de salud
Resumen de información revisada por expertos acerca del delirio como una complicación a causa del cáncer o su tratamiento. Se discuten los enfoques de los cuidados médicos de apoyo, asi como farmacológicos para el manejo del delirio.
Irradiation of para-aortic lymph node metastases from carcinoma of the cervix or endometrium
Komaki, R.; Mattingly, R.F.; Hoffman, R.G.; Barber, S.W.; Satre, R.; Greenberg, M.
Twenty-two patients with biopsy-proved para-aortic lymph node metastases from carcinoma of the cervix (15 patients) or endometrium (7 patients) received a median dose of 5,000 rad/25 fractions. Para-aortic nodal metastases were controlled in 77% of cases. Control was significantly lower following radical retroperitoneal lymph node dissection than less extensive sampling procedures. Obstruction of the small bowel developed in 3 patients with tumor recurrence in the para-aortic region. Eight of the 10 patients who were disease-free at 2 years received >5,000 rad. Three patients were still alive without disease at 129, 63, and 60 months, respectively. The 5-year disease-free survival rate was 40% for cervical cancer and 60% for endometrial cancer: in the former group, it was significantly different depending on whether the para-aortic nodes were irradiated (40%) or not (0%). The authors suggest that 5,000-5,500 rad in 5-5.5 weeks is well tolerated and can control aortic nodal metastases in cervical and possibly endometrial cancer.
Antimicrobial effect of para-alkoxyphenylcarbamic acid esters containing substituted N-phenylpiperazine moiety.
Malík, Ivan; Bukovský, Marián; Andriamainty, Fils; Gališinová, Jana
In current research, nine basic esters of para-alkoxyphenylcarbamic acid with incorporated 4-(4-fluoro-/3-trifluoromethylphenyl)piperazin-1-yl fragment, 6i-6m and 8f-8i, were screened for their in vitro antimicrobial activity against Candida albicans, Staphylococcus aureus and Escherichia coli, respectively. Taking into account the minimum inhibitory concentration assay (MIC), as the most active against given yeast was evaluated 8i (MIC = 0.20 mg/mL), the most lipophilic structure containing para-butoxy and trifluoromethyl substituents. Investigating the efficiency of the compounds bearing only a single atom of fluorine and appropriate para-alkoxy side chain against Candida albicans, the cut-off effect was observed. From evaluated homological series, the maximum of the effectiveness was noticed for the stucture 6 k (MIC = 0.39 mg/mL), containing para-propoxy group attached to phenylcarbamoyloxy fragment, beyond which the compounds ceased to be active. On the contrary, all the tested molecules were against Staphylococcus aureus and Escherichia coli (MICs > 1.00 mg/mL) practically inactive. PMID:24294237
Up from Apathy: Para-Professional Training for the Socially Disadvantaged
ERIC Educational Resources Information Center
Jones, Mark J.; Wright, Bobbye S.
Describes a program of training for young men to fill a para-professional position in the growing field of social services. The program provides training in human relations, basic skills, and on-the-job techniques. Training Technology is a quarterly supplement to Educational Technology Magazine. (GR)
Ortho-para conversion of endohedral water in the fullerene C60 at cryogenic temperatures
NASA Astrophysics Data System (ADS)
Shugai, Anna; Nagel, U.; Rõõm, T.; Mamone, S.; Concistrè, M.; Meier, B.; Krachmalnicoff, A.; Whitby, R. J.; Levitt, M. H.; Lei, Xuegong; Li, Yongjun; Turro, N. J.
Water displays the phenomenon of spin isomerism in which the two proton spins either couple to form a triplet (ortho water, I = 1) or a singlet nuclear spin state (para water, I = 0). Here we study the interconversion of para and ortho water. The exact mechanism of this process is still not fully understood. In order to minimize interactions between molecules we use a sample where a single H2O is trapped in the C60 molecular cage (H2O@C60)email@example.com@C60 has long-lived ortho state and ortho-para conversion kinetics is non-exponential at LHeT. We studied mixtures of H2O@C60, D2O@C60 and C60 using IR absorption, NMR and dielectric measurements. We saw the speeding up of the interconversion with the growth of H2O@C60 concentration in C60 or when D2O@C60 was added. At some temperatures the kinetics is exponential. Models are discussed in order to explain the T and concentration dependence of ortho-para interconversion kinetics. This work was supported by institutional research funding IUT23-3 of the Estonian Ministry of Education and Research.
Construction of erythrinane skeleton via Pd(0)-catalyzed intramolecular dearomatization of para-aminophenols.
Xu, Ren-Qi; Gu, Qing; Wu, Wen-Ting; Zhao, Zhuo-An; You, Shu-Li
A novel Pd(0)-catalyzed intramolecular arylative dearomatization of para-aminophenol derivatives is described. In the presence of 1.25 mol % [Pd(C3H5)Cl]2 and 3.75 mol % RuPhos, the arylative dearomatization reaction proceeds smoothly for a broad range of substrates, offering an efficient synthetic route to erythrinane derivatives in excellent yields. PMID:25308898
Fabrication of multipotent poly-para-xylylene particles in controlled nanoscopic dimensions.
Yuan, Ruei-Hung; Li, Yi-Jye; Sun, Ho-Yi; Wu, Chih-Yu; Guan, Zhen-Yu; Ho, Hsin-Ying; Fang, Cheng-Yuan; Chen, Hsien-Yeh
In this study, poly-para-xylylene-based multifunctional nanoparticles (PPX-NPs) were fabricated. Based on the solubility characteristics determined for asymmetrically substituted poly-para-xylylenes in polar solvents, well-dispersed nanocolloids with a controllable size ranging from 50 to 800nm were produced in solution by the displacement of the solvent (water). These size ranges were found to have acceptable cellular compatibility through examinations of cultured 3T3 fibroblasts and adipose-derived stem cells treated with the PPX-NPs. In addition, these nanoscale PPX-NPs exhibited versatile bioconjugation properties in that a variety of available functional groups can be adopted from their counterpart, thin-film poly-para-xylylenes, during the production of these nanoparticles. For instance, bifunctional PPX-NPs with maleimide and benzoyl moieties were produced to enable immobilization via a maleimide-thiol reaction concurrent with a photochemical reaction. A cleavable PPX-NP was also produced with a thiol-exchangeable surface property. Additionally, by performing electrohydrodynamic jetting of parallel polymer solutions of selected poly-para-xylylenes, Janus-type or multicompartment PPX-NPs were created. The PPX-NPs can potentially be used for various biomedical applications such as combined diagnostics and drug delivery, multiplexing of detection, multiple-drug loading, and the targeted delivery of biomolecules or drugs. PMID:26724467
Energia Renovable para Centros de Salud Rurales (Renewable Energy for Rural Health Clinics)
Jimenez, T.; Olson, K.
Esta es la primera de una serie de guias de aplicaciones que el Programa de Energia de Villas de NREL esta comisionando para acoplar sistemas comerciales renovables con aplicaciones rurales, incluyendo agua, escuelas rurales y micro empresas. La guia esta complementada por las actividades de desarrollo del Programa de Energia de Villas de NREL, proyectos pilotos internacionales y programas de visitas profesionales.
Autoguía para el telescopio 2,15 mts de CASLEO
NASA Astrophysics Data System (ADS)
Aballay, J. A.; Casagrande, A. R.; Pereyra, P. F.; Marún, A. H.
Se está desarrollando un sistema de autoguía para el telescopio de 2,15 mts. El mismo se realizará aprovechando el Offset Guider. Al ocular móvil de éste se vinculará alguna cámara digital (ST4-ST7-CH250) para lograr la visión del objeto. El funcionamiento del equipo será el siguiente: primero, dadas las coordenadas del objeto a observar, se tomarán las coordenadas del telescopio para que, a través de una base de datos, se determine un campo de objetos que sirvan para la cámara de visión, luego, la PC obtendrá el offset entre la estrella de observación y la estrella seleccionada como guía, este valor será trasladado a los motores que posicionarán en forma automática el ocular. Una vez que la estrella es visualizada en la cámara (monitor de PC ) se correrá el programa que guiará el telescopio automáticamente.
Fatiga (PDQ®)—Versión para profesionales de salud
Resumen de información revisada por expertos acerca de la fatiga, una afección caracterizada por extremo cansancio e incapacidad para funcionar por la falta de energía, que a menudo se observa como una complicación del cáncer y su tratamiento.
Cáncer de hueso—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del cáncer de hueso (óseo), así como referencias a estudios clínicos, investigación y otros temas relacionados con este tipo de cáncer.
Vínculos observacionais para o processo-S em estrelas gigantes de Bário
NASA Astrophysics Data System (ADS)
Smiljanic, R. H. S.; Porto de Mello, G. F.; da Silva, L.
Estrelas de bário são gigantes vermelhas de tipo GK que apresentam excessos atmosféricos dos elementos do processo-s. Tais excessos são esperados em estrelas na fase de pulsos térmicos do AGB (TP-AGB). As estrelas de bário são, no entanto, menos massivas e menos luminosas que as estrelas do AGB, assim, não poderiam ter se auto-enriquecido. Seu enriquecimento teria origem em uma estrela companheira, inicialmente mais massiva, que evolui pelo TP-AGB, se auto-enriquece com os elementos do processo-s e transfere material contaminado para a atmosfera da atual estrela de bário. A companheira evolui então para anã branca deixando de ser observada diretamente. As estrelas de bário são, portanto, úteis como testes observacionais para teorias de nucleossíntese pelo processo-s, convecção e perda de massa. Análises detalhadas de abundância com dados de alta qualidade para estes objetos são ainda escassas na literatura. Neste trabalho construímos modelos de atmosferas e, procedendo a uma análise diferencial, determinamos parâmetros atmosféricos e evolutivos de uma amostra de dez gigantes de bário e quatro normais. Determinamos seus padrões de abundância para Na, Mg, Al, Si, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Sr, Y, Zr, Ba, La, Ce, Nd, Sm, Eu e Gd, concluindo que algumas estrelas classificadas na literatura como gigantes de bário são na verdade gigantes normais. Comparamos dois padrões médios de abundância, para estrelas com grandes excessos e estrelas com excessos moderados, com modelos teóricos de enriquecimento pelo processo-s. Os dois grupos de estrelas são ajustados pelos mesmos parâmetros de exposição de nêutrons. Tal resultado sugere que a ocorrência do fenômeno de bário com diferentes intensidades não se deve a diferentes exposições de nêutrons. Discutimos ainda efeitos nucleossintéticos, ligados ao processo-s, sugeridos na literatura para os elementos Cu, Mn, V e Sc.
Hox and ParaHox gene expression in early body plan patterning of polyplacophoran mollusks
Fritsch, Martin; Wollesen, Tim
ABSTRACT Molecular developmental studies of various bilaterians have shown that the identity of the anteroposterior body axis is controlled by Hox and ParaHox genes. Detailed Hox and ParaHox gene expression data are available for conchiferan mollusks, such as gastropods (snails and slugs) and cephalopods (squids and octopuses), whereas information on the putative conchiferan sister group, Aculifera, is still scarce (but see Fritsch et al., 2015 on Hox gene expression in the polyplacophoran Acanthochitona crinita). In contrast to gastropods and cephalopods, the Hox genes in polyplacophorans are expressed in an anteroposterior sequence similar to the condition in annelids and other bilaterians. Here, we present the expression patterns of the Hox genes Lox5, Lox4, and Lox2, together with the ParaHox gene caudal (Cdx) in the polyplacophoran A. crinita. To localize Hox and ParaHox gene transcription products, we also investigated the expression patterns of the genes FMRF and Elav, and the development of the nervous system. Similar to the other Hox genes, all three Acr‐Lox genes are expressed in an anteroposterior sequence. Transcripts of Acr‐Cdx are seemingly present in the forming hindgut at the posterior end. The expression patterns of both the central class Acr‐Lox genes and the Acr‐Cdx gene are strikingly similar to those in annelids and nemerteans. In Polyplacophora, the expression patterns of the Hox and ParaHox genes seem to be evolutionarily highly conserved, while in conchiferan mollusks these genes are co‐opted into novel functions that might have led to evolutionary novelties, at least in gastropods and cephalopods. PMID:27098677
Rotational excitation of HCN by para- and ortho-H{sub 2}
Vera, Mario Hernández; Kalugina, Yulia; Denis-Alpizar, Otoniel; Stoecklin, Thierry; Lique, François
Rotational excitation of the hydrogen cyanide (HCN) molecule by collisions with para-H{sub 2}( j = 0, 2) and ortho-H{sub 2}( j = 1) is investigated at low temperatures using a quantum time independent approach. Both molecules are treated as rigid rotors. The scattering calculations are based on a highly correlated ab initio 4-dimensional (4D) potential energy surface recently published. Rotationally inelastic cross sections among the 13 first rotational levels of HCN were obtained using a pure quantum close coupling approach for total energies up to 1200 cm{sup −1}. The corresponding thermal rate coefficients were computed for temperatures ranging from 5 to 100 K. The HCN rate coefficients are strongly dependent on the rotational level of the H{sub 2} molecule. In particular, the rate coefficients for collisions with para-H{sub 2}( j = 0) are significantly lower than those for collisions with ortho-H{sub 2}( j = 1) and para-H{sub 2}( j = 2). Propensity rules in favor of even Δj transitions were found for HCN in collisions with para-H{sub 2}( j = 0) whereas propensity rules in favor of odd Δj transitions were found for HCN in collisions with H{sub 2}( j ⩾ 1). The new rate coefficients were compared with previously published HCN-para-H{sub 2}( j = 0) rate coefficients. Significant differences were found due the inclusion of the H{sub 2} rotational structure in the scattering calculations. These new rate coefficients will be crucial to improve the estimation of the HCN abundance in the interstellar medium.
Hox and ParaHox gene expression in early body plan patterning of polyplacophoran mollusks.
Fritsch, Martin; Wollesen, Tim; Wanninger, Andreas
Molecular developmental studies of various bilaterians have shown that the identity of the anteroposterior body axis is controlled by Hox and ParaHox genes. Detailed Hox and ParaHox gene expression data are available for conchiferan mollusks, such as gastropods (snails and slugs) and cephalopods (squids and octopuses), whereas information on the putative conchiferan sister group, Aculifera, is still scarce (but see Fritsch et al., 2015 on Hox gene expression in the polyplacophoran Acanthochitona crinita). In contrast to gastropods and cephalopods, the Hox genes in polyplacophorans are expressed in an anteroposterior sequence similar to the condition in annelids and other bilaterians. Here, we present the expression patterns of the Hox genes Lox5, Lox4, and Lox2, together with the ParaHox gene caudal (Cdx) in the polyplacophoran A. crinita. To localize Hox and ParaHox gene transcription products, we also investigated the expression patterns of the genes FMRF and Elav, and the development of the nervous system. Similar to the other Hox genes, all three Acr-Lox genes are expressed in an anteroposterior sequence. Transcripts of Acr-Cdx are seemingly present in the forming hindgut at the posterior end. The expression patterns of both the central class Acr-Lox genes and the Acr-Cdx gene are strikingly similar to those in annelids and nemerteans. In Polyplacophora, the expression patterns of the Hox and ParaHox genes seem to be evolutionarily highly conserved, while in conchiferan mollusks these genes are co-opted into novel functions that might have led to evolutionary novelties, at least in gastropods and cephalopods. PMID:27098677
Ancient origins of axial patterning genes: Hox genes and ParaHox genes in the Cnidaria.
Finnerty, J R; Martindale, M Q
Among the bilaterally symmetrical, triploblastic animals (the Bilateria), a conserved set of developmental regulatory genes are known to function in patterning the anterior-posterior (AP) axis. This set includes the well-studied Hox cluster genes, and the recently described genes of the ParaHox cluster, which is believed to be the evolutionary sister of the Hox cluster (Brooke et al. 1998). The conserved role of these axial patterning genes in animals as diverse as frogs and flies is believed to reflect an underlying homology (i.e., all bilaterians derive from a common ancestor which possessed an AP axis and the developmental mechanisms responsible for patterning the axis). However, the origin and early evolution of Hox genes and ParaHox genes remain obscure. Repeated attempts have been made to reconstruct the early evolution of Hox genes by analyzing data from the triphoblastic animals, the Bilateria (Schubert et al. 1993; Zhang and Nei 1996). A more precise dating of Hox origins has been elusive due to a lack of sufficient information from outgroup taxa such as the phylum Cnidaria (corals, hydras, jellyfishes, and sea anemones). In combination with outgroup taxa, another potential source of information about Hox origins is outgroup genes (e.g., the genes of the ParaHox cluster). In this article, we present cDNA sequences of two Hox-like genes (anthox2 and anthox6) from the sea anemone, Nematostella vectensis. Phylogenetic analysis indicates that anthox2 (= Cnox2) is homologous to the GSX class of ParaHox genes, and anthox6 is homologous to the anterior class of Hox genes. Therefore, the origin of Hox genes and ParaHox genes occurred prior to the evolutionary split between the Cnidaria and the Bilateria and predated the evolution of the anterior-posterior axis of bilaterian animals. Our analysis also suggests that the central Hox class was invented in the bilaterian lineage, subsequent to their split from the Cnidaria. PMID:11324016
Saturn's Tropospheric Temperatures and Para-Hydrogen Distribution from Ten Years of Cassini Observations
NASA Astrophysics Data System (ADS)
Fletcher, Leigh N.; Irwin, Patrick G.; Sinclair, James; Giles, Rohini; Barstow, Joanna; Achterberg, Richard K.; Orton, Glenn S.
Cassini/CIRS observations of Saturn's 10-1400 cm-1 spectrum have been inverted to construct a global record of tropospheric temperature and para-hydrogen variability over the ten-year span of the Cassini mission. The data record the slow reversal of seasonal asymmetries in tropospheric conditions from northern winter (2004, Ls=293), through northern spring equinox (2009, Ls=0) to the present day (2014, Ls=60). Mid-latitude tropospheric temperatures have cooled by approximately 4-6 K in the south and warmed by 2-4 K in the north, with the seasonal contrast decreasing with depth. CIRS detected the north polar minimum 100-mbar temperatures 6-8 years after winter solstice, whereas the south polar maximum occurred 1-2 years after summer solstice, consistent with the lag times predicted by radiative equilibrium models. Warm polar cyclones and the northern hexagon persist throughout the mission, suggesting that they are permanent features of Saturn's tropospheric circulation. The 200-mbar thermal enhancement ("knee") that was strongest in the summer but weak or absent in winter in 2004-2006 (Fletcher et al., 2007, Icarus 189, p.457-478) has now shifted northward and is present globally in 2014, suggestive of radiative heating in Saturn's tropospheric haze layer. Saturn's para-H2 fraction, which serves as a tracer of both tropospheric mixing and the efficiency of re-equilibration between the ortho- and para-hydrogen states, is slowly altering: super-equilibrium conditions (para-H2 fraction exceeding equilibrium expectations and suggestive of subsiding airmasses) that dominated the southern summer hemisphere are now weakening, whereas the sub-equilibrium conditions (suggestive of uplift) of the northern winter are being replaced by equilibrium or super-equilibrium conditions in spring. The thermal 'knee' and the para-H2 distribution are tracking both the increased spring illumination and the increasing tropospheric haze opacity of the springtime hemisphere
Anatomic Distribution of Fluorodeoxyglucose-Avid Para-aortic Lymph Nodes in Patients With Cervical Cancer
Takiar, Vinita; Fontanilla, Hiral P.; Eifel, Patricia J.; Jhingran, Anuja; Kelly, Patrick; Iyer, Revathy B.; Levenback, Charles F.; Zhang, Yongbin; Dong, Lei; Klopp, Ann
Purpose: Conformal treatment of para-aortic lymph nodes (PAN) in cervical cancer allows dose escalation and reduces normal tissue toxicity. Currently, data documenting the precise location of involved PAN are lacking. We define the spatial distribution of this high-risk nodal volume by analyzing fluorodeoxyglucose (FDG)-avid lymph nodes (LNs) on positron emission tomography/computed tomography (PET/CT) scans in patients with cervical cancer. Methods and Materials: We identified 72 PANs on pretreatment PET/CT of 30 patients with newly diagnosed stage IB-IVA cervical cancer treated with definitive chemoradiation. LNs were classified as left-lateral para-aortic (LPA), aortocaval (AC), or right paracaval (RPC). Distances from the LN center to the closest vessel and adjacent vertebral body were calculated. Using deformable image registration, nodes were mapped to a template computed tomogram to provide a visual impression of nodal frequencies and anatomic distribution. Results: We identified 72 PET-positive para-aortic lymph nodes (37 LPA, 32 AC, 3 RPC). All RPC lymph nodes were in the inferior third of the para-aortic region. The mean distance from aorta for all lymph nodes was 8.3 mm (range, 3-17 mm), and from the inferior vena cava was 5.6 mm (range, 2-10 mm). Of the 72 lymph nodes, 60% were in the inferior third, 36% were in the middle third, and 4% were in the upper third of the para-aortic region. In all, 29 of 30 patients also had FDG-avid pelvic lymph nodes. Conclusions: A total of 96% of PET positive nodes were adjacent to the aorta; PET positive nodes to the right of the IVC were rare and were all located distally, within 3 cm of the aortic bifurcation. Our findings suggest that circumferential margins around the vessels do not accurately define the nodal region at risk. Instead, the anatomical extent of the nodal basin should be contoured on each axial image to provide optimal coverage of the para-aortic nodal compartment.
Astronomia para/com crianças carentes em Limeira
NASA Astrophysics Data System (ADS)
Bretones, P. S.; Oliveira, V. C.
Em 2001, o Instituto Superior de Ciências Aplicadas (ISCA Faculdades de Limeira) iniciou um projeto pelo qual o Observatório do Morro Azul empreendeu uma parceria com o Centro de Promoção Social Municipal (CEPROSOM), instituição mantida pela Prefeitura Municipal de Limeira para atender crianças e adolescentes carentes. O CEPROSOM contava com dois projetos: Projeto Centro de Convivência Infantil (CCI) e Programa Criança e Adolescente (PCA), que atendiam crianças e adolescentes em Centros Comunitários de diversas áreas da cidade. Esses projetos têm como prioridades estabelecer atividades prazerosas para as crianças no sentido de retirá-las das ruas. Assim sendo, as crianças passaram a ter mais um tipo de atividade - as visitas ao observatório. Este painel descreve as várias fases do projeto, que envolveu: reuniões de planejamento, curso de Astronomia para as orientadoras dos CCIs e PCAs, atividades relacionadas a visitas das crianças ao Observatório, proposta de construção de gnômons e relógios de Sol nos diversos Centros Comunitários de Limeira e divulgação do projeto na imprensa. O painel inclui discussões sobre a aprendizagem de crianças carentes, relatos que mostram a postura das orientadoras sobre a pertinência do ensino de Astronomia, relatos do monitor que fez o atendimento no Observatório e o que o número de crianças atendidas representou para as atividades da instituição desde o início de suas atividades e, em particular, em 2001. Os resultados são baseados na análise de relatos das orientadoras e do monitor do Observatório, registros de visitas e matérias da imprensa local. Conclui com uma avaliação do que tal projeto representou para as Instituições participantes. Para o Observatório, em particular, foi feita uma análise com relação às outras modalidades de atendimentos que envolvem alunos de escolas e público em geral. Também é abordada a questão do compromisso social do Observatório na educação do
Differential regulation of ParaHox genes by retinoic acid in the invertebrate chordate amphioxus (Branchiostoma floridae).
Osborne, Peter W; Benoit, Gérard; Laudet, Vincent; Schubert, Michael; Ferrier, David E K
The ParaHox cluster is the evolutionary sister to the Hox cluster. Like the Hox cluster, the ParaHox cluster displays spatial and temporal regulation of the component genes along the anterior/posterior axis in a manner that correlates with the gene positions within the cluster (a feature called collinearity). The ParaHox cluster is however a simpler system to study because it is composed of only three genes. We provide a detailed analysis of the amphioxus ParaHox cluster and, for the first time in a single species, examine the regulation of the cluster in response to a single developmental signalling molecule, retinoic acid (RA). Embryos treated with either RA or RA antagonist display altered ParaHox gene expression: AmphiGsx expression shifts in the neural tube, and the endodermal boundary between AmphiXlox and AmphiCdx shifts its anterior/posterior position. We identified several putative retinoic acid response elements and in vitro assays suggest some may participate in RA regulation of the ParaHox genes. By comparison to vertebrate ParaHox gene regulation we explore the evolutionary implications. This work highlights how insights into the regulation and evolution of more complex vertebrate arrangements can be obtained through studies of a simpler, unduplicated amphioxus gene cluster. PMID:19103191
ParA and ParB coordinate chromosome segregation with cell elongation and division during Streptomyces sporulation.
Donczew, Magdalena; Mackiewicz, Paweł; Wróbel, Agnieszka; Flärdh, Klas; Zakrzewska-Czerwińska, Jolanta; Jakimowicz, Dagmara
In unicellular bacteria, the ParA and ParB proteins segregate chromosomes and coordinate this process with cell division and chromosome replication. During sporulation of mycelial Streptomyces, ParA and ParB uniformly distribute multiple chromosomes along the filamentous sporogenic hyphal compartment, which then differentiates into a chain of unigenomic spores. However, chromosome segregation must be coordinated with cell elongation and multiple divisions. Here, we addressed the question of whether ParA and ParB are involved in the synchronization of cell-cycle processes during sporulation in Streptomyces To answer this question, we used time-lapse microscopy, which allows the monitoring of growth and division of single sporogenic hyphae. We showed that sporogenic hyphae stop extending at the time of ParA accumulation and Z-ring formation. We demonstrated that both ParA and ParB affect the rate of hyphal extension. Additionally, we showed that ParA promotes the formation of massive nucleoprotein complexes by ParB. We also showed that FtsZ ring assembly is affected by the ParB protein and/or unsegregated DNA. Our results indicate the existence of a checkpoint between the extension and septation of sporogenic hyphae that involves the ParA and ParB proteins. PMID:27248800
ParA and ParB coordinate chromosome segregation with cell elongation and division during Streptomyces sporulation
Donczew, Magdalena; Mackiewicz, Paweł; Wróbel, Agnieszka; Flärdh, Klas; Zakrzewska-Czerwińska, Jolanta
In unicellular bacteria, the ParA and ParB proteins segregate chromosomes and coordinate this process with cell division and chromosome replication. During sporulation of mycelial Streptomyces, ParA and ParB uniformly distribute multiple chromosomes along the filamentous sporogenic hyphal compartment, which then differentiates into a chain of unigenomic spores. However, chromosome segregation must be coordinated with cell elongation and multiple divisions. Here, we addressed the question of whether ParA and ParB are involved in the synchronization of cell-cycle processes during sporulation in Streptomyces. To answer this question, we used time-lapse microscopy, which allows the monitoring of growth and division of single sporogenic hyphae. We showed that sporogenic hyphae stop extending at the time of ParA accumulation and Z-ring formation. We demonstrated that both ParA and ParB affect the rate of hyphal extension. Additionally, we showed that ParA promotes the formation of massive nucleoprotein complexes by ParB. We also showed that FtsZ ring assembly is affected by the ParB protein and/or unsegregated DNA. Our results indicate the existence of a checkpoint between the extension and septation of sporogenic hyphae that involves the ParA and ParB proteins. PMID:27248800
Aplicación del Teorema de Nekhorochev para tiempos de estabilidad en Mecánica Celeste
NASA Astrophysics Data System (ADS)
Miloni, O.; Núñez, J.; Brunini, A.
En Mecánica Celeste, uno de los problemas centrales consiste en la determinación de los tiempos de estabilidad. El teorema de Nekhorochev proporciona un método para dicho estudio, para un sistema determinado por un hamiltoniano descripto en las variables acción-ángulo. El trabajo consiste en la acotación tanto del potencial perturbador y de la matriz hessiana del hamiltoniano integrable para determinar luego el tiempo de estabilidad de dicho sistema, donde por estabilidad se entiende la separación en norma infinito en el espacio de las acciones.
Una propuesta para el desarrollo de un arreglo de síntesis de apertura
NASA Astrophysics Data System (ADS)
Arnal, E. M.
Los estudios llevados a cabo en la transición del hidrógeno neutro a λ~21-cm han contribuído a incrementar nuestro conocimiento acerca de las propiedades globales del medio interestelar, sea este galáctico o extragaláctico. Avances en este campo han sido provocados, a menudo, por la puesta en servicio de radiotelescopios que poseen una mayor resolución angular. Aquí se presenta una propuesta para desarrollar un nuevo instrumento, un interferómetro, que permitirá abrir nuevas líneas de investigación. Este instrumento combinará la técnica de síntesis de apertura con la de espectroscopía de correlación digital, para alcanzar una resolución angular de 1' y un campo de visión de ~1o.7.
Charge-transfer-directed radical substitution enables para-selective C-H functionalization.
Boursalian, Gregory B; Ham, Won Seok; Mazzotti, Anthony R; Ritter, Tobias
Efficient C-H functionalization requires selectivity for specific C-H bonds. Progress has been made for directed aromatic substitution reactions to achieve ortho and meta selectivity, but a general strategy for para-selective C-H functionalization has remained elusive. Herein we introduce a previously unappreciated concept that enables nearly complete para selectivity. We propose that radicals with high electron affinity elicit arene-to-radical charge transfer in the transition state of radical addition, which is the factor primarily responsible for high positional selectivity. We demonstrate with a simple theoretical tool that the selectivity is predictable and show the utility of the concept through a direct synthesis of aryl piperazines. Our results contradict the notion, widely held by organic chemists, that radical aromatic substitution reactions are inherently unselective. The concept of radical substitution directed by charge transfer could serve as the basis for the development of new, highly selective C-H functionalization reactions. PMID:27442288
Molecular Characterization of Neurally Expressing Genes in the Para Sodium Channel Gene Cluster of Drosophila
Hong, C. S.; Ganetzky, B.
To elucidate the mechanisms regulating expression of para, which encodes the major class of sodium channels in the Drosophila nervous system, we have tried to locate upstream cis-acting regulatory elements by mapping the transcriptional start site and analyzing the region immediately upstream of para in region 14D of the polytene chromosomes. From these studies, we have discovered that the region contains a cluster of neurally expressing genes. Here we report the molecular characterization of the genomic organization of the 14D region and the genes within this region, which are: calnexin (Cnx), actin related protein 14D (Arp14D), calcineurin A 14D (CnnA14D), and chromosome associated protein (Cap). The tight clustering of these genes, their neuronal expression patterns, and their potential functions related to expression, modulation, or regulation of sodium channels raise the possibility that these genes represent a functionally related group sharing some coordinate regulatory mechanism. PMID:8849894
Control of Photoluminescence of Carbon Nanodots via Surface Functionalization using Para-substituted Anilines
Kwon, Woosung; Do, Sungan; Kim, Ji-Hee; Seok Jeong, Mun; Rhee, Shi-Woo
Carbon nanodots (C-dots) are a kind of fluorescent carbon nanomaterials, composed of polyaromatic carbon domains surrounded by amorphous carbon frames, and have attracted a great deal of attention because of their interesting properties. There are still, however, challenges ahead such as blue-biased photoluminescence, spectral broadness, undefined energy gaps and etc. In this report, we chemically modify the surface of C-dots with a series of para-substituted anilines to control their photoluminescence. Our surface functionalization endows our C-dots with new energy levels, exhibiting long-wavelength (up to 650 nm) photoluminescence of very narrow spectral widths. The roles of para-substituted anilines and their substituents in developing such energy levels are thoroughly studied by using transient absorption spectroscopy. We finally demonstrate light-emitting devices exploiting our C-dots as a phosphor, converting UV light to a variety of colors with internal quantum yields of ca. 20%. PMID:26218869
Sludge reduction by uncoupling metabolism: SBR tests with para-nitrophenol and a commercial uncoupler.
Zuriaga-Agustí, E; Mendoza-Roca, J A; Bes-Piá, A; Alonso-Molina, J L; Amorós-Muñoz, I
Nowadays cost reduction is a very important issue in wastewater treatment plants. One way, is to minimize the sludge production. Microorganisms break down the organic matter into inorganic compounds through catabolism. Uncoupling metabolism is a method which promote catabolism reactions instead of anabolism ones, where adenosine triphosphate synthesis is inhibited. In this work, the influence of the addition of para-nitrophenol and a commercial reagent to a sequencing batch reactor (SBR) on sludge production and process performance has been analyzed. Three laboratory SBRs were operated in parallel to compare the effect of the addition of both reagents with a control reactor. SBRs were fed with synthetic wastewater and were operated with the same conditions. Results showed that sludge production was slightly reduced for the tested para-nitrophenol concentrations (20 and 25 mg/L) and for a LODOred dose of 1 mL/day. Biological process performance was not influenced and high COD removals were achieved. PMID:27505165
ROTATIONAL SPECTROSCOPY OF THE CO-PARA-H{sub 2} MOLECULAR COMPLEX
Potapov, A. V.; Surin, L. A.; Giesen, T. F.; Schlemmer, S.; Panfilov, V. A.; Dumesh, B. S.; Raston, P. L.; Jaeger, W.
The rotational spectrum of the CO-para-H{sub 2} van der Waals complex, produced using a molecular jet expansion, was observed with two different techniques: OROTRON intracavity millimeter-wave spectroscopy and pulsed Fourier transform microwave spectroscopy. Thirteen transitions in the frequency range from 80 to 130 GHz and two transitions in the 14 GHz region were measured and assigned, allowing for a precise determination of the corresponding energy level positions of CO-para-H{sub 2}. The data obtained enable further radio astronomical searches for this molecular complex and provide a sensitive test of the currently best available intermolecular potential energy surface for the CO-H{sub 2} system.
Development of an integrated remote monitoring technique and its application to para-stressing bridge system
NASA Astrophysics Data System (ADS)
Miyamoto, Ayaho; Motoshita, Minoru; Casas, Joan R.
Bridge monitoring system via information technology is capable of providing more accurate knowledge of bridge performance characteristics than traditional strategies. This paper describes not only an integrated Internet monitoring system that consists of a stand-alone monitoring system (SMS) and a Web-based Internet monitoring system (IMS) for bridge maintenance but also its application to para-stressing bridge system as an intelligent structure. IMS, as a Web-based system, is capable of addressing the remote monitoring by introducing measuring information derived from SMS into the system through Internet or intranet connected by either PHS or LAN. Moreover, the key functions of IMS such as data management system, condition assessment, and decision making with the proposed system are also introduced in this paper. Another goal of this study is to establish the framework of a para-stressing bridge system which is an intelligent bridge by integrating the bridge monitoring information into the system to control the bridge performance automatically.
Regioselective Enzymatic β-Carboxylation of para-Hydroxy- styrene Derivatives Catalyzed by Phenolic Acid Decarboxylases
Wuensch, Christiane; Pavkov-Keller, Tea; Steinkellner, Georg; Gross, Johannes; Fuchs, Michael; Hromic, Altijana; Lyskowski, Andrzej; Fauland, Kerstin; Gruber, Karl; Glueck, Silvia M; Faber, Kurt
We report on a 'green' method for the utilization of carbon dioxide as C1 unit for the regioselective synthesis of (E)-cinnamic acids via regioselective enzymatic carboxylation of para-hydroxystyrenes. Phenolic acid decarboxylases from bacterial sources catalyzed the β-carboxylation of para-hydroxystyrene derivatives with excellent regio- and (E/Z)-stereoselectivity by exclusively acting at the β-carbon atom of the C=C side chain to furnish the corresponding (E)-cinnamic acid derivatives in up to 40% conversion at the expense of bicarbonate as carbon dioxide source. Studies on the substrate scope of this strategy are presented and a catalytic mechanism is proposed based on molecular modelling studies supported by mutagenesis of amino acid residues in the active site. PMID:26190963
Charge-transfer-directed radical substitution enables para-selective C–H functionalization
NASA Astrophysics Data System (ADS)
Boursalian, Gregory B.; Ham, Won Seok; Mazzotti, Anthony R.; Ritter, Tobias
Efficient C–H functionalization requires selectivity for specific C–H bonds. Progress has been made for directed aromatic substitution reactions to achieve ortho and meta selectivity, but a general strategy for para-selective C–H functionalization has remained elusive. Herein we introduce a previously unappreciated concept that enables nearly complete para selectivity. We propose that radicals with high electron affinity elicit arene-to-radical charge transfer in the transition state of radical addition, which is the factor primarily responsible for high positional selectivity. We demonstrate with a simple theoretical tool that the selectivity is predictable and show the utility of the concept through a direct synthesis of aryl piperazines. Our results contradict the notion, widely held by organic chemists, that radical aromatic substitution reactions are inherently unselective. The concept of radical substitution directed by charge transfer could serve as the basis for the development of new, highly selective C–H functionalization reactions.
Repeated Topical Application of para-Phenylenediamine Induces Renal Histopathological Changes in Rats.
Bharali, Manuj Kr; Basumatary, Rajeev; Rahman, Taibur; Dutta, Karabi
Hemolytic anemia and rhabdomyolysis have been often reported to be an adverse effect of drug- and chemical-induced toxicity both in experimental and real-life scenario. para-Phenylenediamine (PPD) is a derivative of para-nitroaniline and has been found as an ingredient of almost all hair dye formulations in varying concentrations from 2% to 4% w/v. Earlier studies have reported that the accidental oral ingestion of PPD in humans can lead to acute renal failure because of rhabdomyolysis. In the present investigation, we have tested the chronic topical application of PPD and its effect on the renal histology of Sprague-Dawley rats. The experiment provides clear evidence that topically applied PPD induces hemolytic anemia as evident from the decrease in the total RBC count, packed cell volume, and hemoglobin content apart from rhabdomyolysis which subsequently causes acute renal failure in rats. PMID:22778510
Modelizacion, control e implementacion de un procesador energetico paralelo para aplicacion en sistemas multisalida
NASA Astrophysics Data System (ADS)
Ferreres Sabater, Agustin
Cualquier sistema electronico que incluya un procesado o tratamiento de la senal, y ademas, algun tipo de actuador mecanico generalmente necesita, como minimo, dos tensiones diferentes de alimentacion. Excluyendo los sistemas de alimentacion distribuida, la solucion tecnica mas utilizada para proporcionar dos o mas tensiones consiste en las fuentes de alimentacion multisalida. En una fuente de alimentacion multisalida los diferentes circuitos que conforman cada salida comparten un mismo transformador de potencia optimizando coste, masa, y volumen. Las ventajas obtenidas con este procedimiento tienen en su contra el efecto que sobre cada salida individual provocan las demas en su conjunto debido, principalmente, a los efectos de los elementos parasitos de los componentes. Un cambio de carga en una de las salidas produce un transitorio que es visto por todas las demas como un efecto de impedancia cruzada, y al final del transitorio, la tension de cada salida es diferente respecto a la que tenian antes del transitorio. Este ultimo resultado se conoce como regulacion cruzada. La disminucion de los efectos de la regulacion cruzada ha sido objeto de estudio durante los ultimos anos. El objetivo ha sido el desarrollo de distintas estrategias que permiten, desde disminuir los efectos de la regulacion cruzada hasta los niveles deseables, a eliminarla completamente. El resultado final suele suponer una penalizacion sobre el diseno del sistema directamente proporcional al grado de regulacion a conseguir en las distintas salidas. Entre las soluciones propuestas para eliminar la regulacion cruzada las tecnicas de post-regulacion se han consolidado como la opcion mas aceptada ya que, pueden aplicarse a cualquier convertidor y no suponen ninguna complejidad adicional a la hora de plantear el diseno. En esta Tesis Doctoral se abordara el estudio de la tecnica conocida como postregulacion mediante transformador controlado, que si bien se ha empleado en convertidores resonantes, su
Polar Effects Control the Gas-phase Reactivity of Charged para-Benzyne Analogs
Wittrig, Ashley M.; Archibold, Enada F.; Sheng, Huaming; Nash, John J.; Kenttämaa, Hilkka I.
The gas-phase reactivity of charged para-benzynes is entirely unexplored as they and/or their precursors tend to undergo ring-opening upon their generation. We report here a gas-phase reactivity study of two such benzynes, the 2,5-didehydropyridinium and 5,8-didehydroisoquinolinium cations, generated in a modified dual-linear quadrupole ion trap (DLQIT) mass spectrometer. Both biradicals were found to form diagnostic products with organic molecules, indicating the presence of two radical sites. As opposed to earlier predictions that the singlet-triplet (S-T) splitting controls the radical reactivity of such species, the 2,5-didehydropyridinium cation reacts much faster in spite of its larger S-T splitting. Calculated vertical electron affinities of the radical sites of the para-benzynes, a parameter related to the polarity of the transition states of their reactions, appears to be the most important reactivity controlling factor. PMID:25838787
Iodine(III)-Mediated para-Selective Direct Imidation of Anilides.
Pialat, Amélie; Bergès, Julien; Sabourin, Axel; Vinck, Robin; Liégault, Benoît; Taillefer, Marc
The direct, nucleophilic imidation of acetanilide derivatives has been performed under mild, iodine(III)-mediated or -catalyzed conditions, employing lithium triflimide as the nitrogen source. The reaction exhibits exclusive regioselectivity for the para position and shows a good tolerance for varied functional groups at both the ortho or meta positions. Preliminary mechanistic data suggest that the LiNTf2 reagent plays a key role in the reactivity. PMID:26095155
Synthesis of icariin from kaempferol through regioselective methylation and para-Claisen-Cope rearrangement.
Mei, Qinggang; Wang, Chun; Zhao, Zhigang; Yuan, Weicheng; Zhang, Guolin
The hemisynthesis of the naturally occurring bioactive flavonoid glycoside icariin (1) has been accomplished in eleven steps with 7% overall yield from kaempferol. The 4'-OH methylation of kaempferol, the 8-prenylation of 3-O-methoxymethyl-4'-O-methyl-5-O-prenyl-7-O-benzylkaempferol (8) via para-Claisen-Cope rearrangement catalyzed by Eu(fod)3 in the presence of NaHCO3, and the glycosylation of icaritin (3) are the key steps. PMID:26425179
Conformerism, enantiomorphism and double catemer motifs in para-substituted nostoclide analogues
NASA Astrophysics Data System (ADS)
Teixeira, Róbson Ricardo; Barbosa, Luiz Claudio Almeida; Valero Antolinez, Isabel; de Souza Corrêa, Rodrigo; Martins, Felipe Terra; Doriguetto, Antônio Carlos
We have here elucidated the crystal structures of five nostoclide analogues. A common feature in all compounds is a substituent at the para-position of the benzylidene group. Compounds with either bromine (3) or hydroxyl (4) as para-substituent crystallizes with Z' = 2 as result of conformerism. It was also observed that Z' > 1 in the compound with a para-dimethylamino substituent (1). However, its four crystallographically independent molecules are conformationally similar. They are not related by crystallographic symmetry due to the offset packing of their C-H … Odbnd C nonclassical hydrogen bonded double chains. This compound (1) has also crystallized in a chiral space group (P21) despite the lack of a stereocenter. Such enantiomorphism phenomenon is related to the presence of only one of the two mirror benzyl conformations with phenyl ring at the equatorial position opposite the lactone oxygen atom. The molecular mean plane of nostoclide analogues has been featured by high level of planarity, except in the brominated compound where two twisted conformations occurred due to rotations on the single bond axis into benzylidene group. The benzyl conformation has been the greatest difference between the two crystallographically independent molecules of the para-hydroxylated compound (4). The crystal packing of the compounds is marked by double catemer motif assembled through C-H … Odbnd C non-classical hydrogen bonds, although C-H … π interactions do play an important role in stabilizing the crystal packing of some compounds of the series.
Highly regioselective para-methylthiolation/bridging methylenation of arylamines promoted by NH4I.
Xu, Yinfeng; Cong, Tiantian; Liu, Ping; Sun, Peipei
Aryl methyl thioethers and methylene-bridged arylamines were synthesized via highly regioselective para-methylthiolation/bridging methylenation of arylamines using DMSO as the methylthio or methylene source in the presence of NH4I under metal-free conditions. For the substrates with both electron-donating and electron-withdrawing substituents, the reaction proceeded smoothly and gave moderate to good yields. PMID:26337143
Stimulated rotational Raman scattering in CO2-pumped para-H2
Carlsten, J.L.; Wenzel, R.G.
Stimulated rotational Raman scattering in a 300 K multipass cell filled with para-H2 with a single-mode CO2 pump laser was studied using a single-mode OPO as a probe laser at the Stokes frequency for the So(0) transition. Amplification and pump depletion are examined as a function of incident pump energy. For an incident CO2 pump laser energy of 1.5 J, a photon conversion efficiency of 47 percent is observed.
ParaDiS on Blue Gene/L: stepping up to the challenge
Hommes, G; Arsenlis, A; Bulatov, V; Cai, W; Cook, R; Hiratani, M; Oppestrup, T; Rhee, M; Tang, M
This paper reports on the efforts to enable fully scalable simulations of Dislocation Line Dynamics (DLD) for direct calculations of strength of crystalline materials. DLD simulations are challenging and do not lend themselves naturally to parallel computing. Through a combinations of novel physical approaches, mathematical algorithms and computational science developments, a new DLD code ParaDiS is shown to take meaningful advantage of BG/L and, by doing so, to enable discovery class science by computation.
Cáncer de cuello uterino—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento, la prevención, las causas y los exámenes de detección del cáncer de cuello uterino, así como referencias a estudios clínicos, investigación, estadísticas y otros temas relacionados.
Cáncer de pulmón—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento, la prevención, las causas y los exámenes de detección del cáncer de pulmón, así como referencias a estudios clínicos, investigación, estadísticas y otros temas
ParaDiS on BlueGene/L: scalable line dynamics
Bulatov, V; Cai, W; Fier, J; Hiratani, M; Pierce, T; Tang, M; Rhee, M; Yates, R K; Arsenlis, A
We describe an innovative highly parallel application program, ParaDiS, which computes the plastic strength of materials by tracing the evolution of dislocation lines over time. We discuss the issues of scaling the code to tens of thousands of processors, and present early scaling results of the code run on a prototype of the BlueGene/L supercomputer being developed by IBM in partnership with the US DOE's ASC program.
Stable self-trapping and ring formation in polydiacetylene para-toluene sulfonate
NASA Astrophysics Data System (ADS)
Wright, Ewan M.; Lawrence, Brian L.; Torruellas, William; Stegeman, George
Numerical simulations of two-dimensional beam propagation in polydiacetylene para-toluene sulfonate measured values for n2>0 and n3<0 , where Delta n=n2I+n 3I2 , predict stable self-trapping and a new phenomenon in which a spatial ring evolves from a Gaussian input beam. We interpret the numerical results theoretically, using the variational model of nonlinear Gaussian beam propagation.
Towards physical interpretation of substituent effects: the case of meta- and para-substituted anilines.
Szatylowicz, Halina; Siodla, Tomasz; Stasyuk, Olga A; Krygowski, Tadeusz M
Quantum chemical modeling was used to investigate the electron-donating properties of the amino group in a series of meta- and para-X-substituted anilines (X = NMe2, NH2, OH, OMe, CH3, H, F, Cl, CF3, CN, CHO, COMe, CONH2, COOH, NO2, and NO). Different methods (HF, B3LYP, and M06-2X) and basis sets (6-31+G(d,p), 6-311++G(d,p), and aug-cc-pVDZ) were applied and compared with the MP2 approach. The B3LYP/6-311++G(d,p) method was chosen as the most appropriate one. The substituent properties were described by σ, cSAR(X) and SESE descriptors; the amino group was characterized by structural (dCN, dNH and ΣNH2) and electronic [δ(N) and cSAR(NH2)] parameters; whereas the transmitting moiety was characterized by aromaticity indices HOMA and NICS, as well as by QTAIM characteristics at the ring critical point. All the used parameters were found to be mutually interrelated with much better correlations for the para-derivatives than the meta-derivatives. It was numerically confirmed that sensitivity of the amino group to the substituent effect was greater by over three times when the substituent was located in the para-position. In the case of the meta-derivatives, variability of characteristics for both the reaction center and the substituent was small. The reverse substituent effect was clearly shown by comparison of the cSAR(X) characteristics for monosubstituted benzenes, and meta- and para-substituted anilines. PMID:26725941
Parallel Visualization and Analysis with ParaView on a Cray XT4
Patchett, John; Ahrens, James; Ahern, Sean; Pugmire, Dave
Scienti c data sets produced by modern supercomputers like ORNL s Cray XT 4, Jaguar, can be extremely large, making visualization and analysis more di cult as moving large resultant data to dedicated analysis systems can be pro- hibitively expensive. We share our continuing work of integrating a parallel visu- alization system, ParaView, on ORNL s Jaguar system and our e orts to enable extreme scale interactive data visualization and analysis. We will discuss porting challenges and present performance numbers.
Atlas de aves: Un metodo para documentar distribucion y seguir poblaciones
Robbins, C.S.; Dowell, B.A.; Dawson, D.K.
Los Atlas de Aves son proyectos nacionales o regionalies para trazar en mapas la distribucion en reproduccion de cada especie de ave. Ese procedimiento se esta usando en Europa, Australia, Nueva Zelanda, Norteamerica, y partes de Africa. El tama?o de los cuadrados varia de medio grado de latitud y Iongitud hasta 5 x 5 km. El trabajo de campo de cada proyecto exige aproxlmadamente cinco a?os, pero los aficionados pueden llevar a cabo la mayor parte del trabajo. Es posible almacenar los resultados en un computador personal. Hay muchos beneficios: (I) se presenta la distribucion corriente de las aves de la nacion, del estado, o de la Iocalidad; (2) se desarrolla nueva informacion especialmente sobre especies raras o en peligro; (3) se descubren areas que tienen una avlfauna sobresaliente o habitats raros y ayuda a su proteccion, (4) se documentan cambios de dlstribucion; (5) se pueden usar para documentar cambios de poblacion, especialmente en los tropicos donde otros metodos son mas dificiles de usar porque hay muchas especies y no hay muchos observadores calificados en la identificacion de sonidos de las aves; (6) son proyectos buenos de investigacion para estudiantes graduados; (7) los turistas y los jefes de excursiones de historia natural pueden contribuir con muchas informaciones
Consistent assignment of the vibrations of symmetric and asymmetric para-disubstituted benzene molecules
NASA Astrophysics Data System (ADS)
Andrejeva, Anna; Gardner, Adrian M.; Tuttle, William D.; Wright, Timothy G.
We give a description of the phenyl-ring-localized vibrational modes of the ground states of the para-disubstituted benzene molecules including both symmetric and asymmetric cases. In line with others, we quickly conclude that the use of Wilson mode labels is misleading and ambiguous; we conclude the same regarding the related ones of Varsányi. Instead we label the modes consistently based upon the Mulliken (Herzberg) method for the modes of para-difluorobenzene (pDFB). Since we wish the labelling scheme to cover both symmetrically- and asymmetrically-substituted molecules, we apply the Mulliken labelling under C2v symmetry. By studying the variation of the vibrational wavenumbers with mass of the substituent, we are able to identify the corresponding modes across a wide range of molecules and hence provide consistent assignments. Particularly interesting are pairs of vibrations that evolve from in- and out-of-phase motions in pDFB to more localized modes in asymmetric molecules. We consider the para isomers of the following: the symmetric dihalobenzenes, xylene, hydroquinone, the asymmetric dihalobenzenes, halotoluenes, halophenols and cresol.
The ortho:para-H_2 ratio in C- and J-type shocks
NASA Astrophysics Data System (ADS)
Wilgenbus, D.; Cabrit, S.; Pineau des Forêts, G.; Flower, D. R.
We have computed extensive grids of models of both C- and J-type planar shock waves, propagating in dark, cold molecular clouds, in order to study systematically the behaviour of the ortho:para-H_2 ratio. Careful attention was paid to both macroscopic (dynamical) and microscopic (chemical reactions and collisional population transfer in H_2) aspects. We relate the predictions of the models to observational determinations of the ortho:para-H_2 ratio using both pure rotational lines and rovibrational lines. As an illustration, we consider ISO and ground-based H_2 observations of HH 54. Neither planar C-type nor planar J-type shocks appear able to account fully for these observations. Given the additional constraints provided by the observed ortho:para H_2 ratios, a C-type bowshock, or a C-type precursor followed by a J-type shock, remain as plausible models. Tables~2a-f and 4a-f are only available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (22.214.171.124) or via http://cdsweb.u-strasbg.fr/Abstract.html
Theoretical study of the design of a catalyst for para to ortho hydrogen conversion
NASA Technical Reports Server (NTRS)
Coffman, Robert E.
The theory of Petzinger and Scalapino (1973) was thoroughly reviewed, and all of the basic equations for paramagnetic para to ortho hydrogen catalysis re-derived. There are only a few minor phase errors and errors of omission in the description of the theory. Three models (described by Petzinger and Scalapino) for the rate of para to ortho H2 catalysis were worked out, and uniform agreement obtained to within a constant factor of 2 pi. The analytical methods developed in the course of this study were then extended to two new models, which more adequately describe the process of surface catalysis including transfer of hydrogen molecules onto and off of the surface. All five equations for the para to ortho catalytic rate of conversion are described. The two new equations describe the catalytic rate for these models: H2 on the surface is a 2-D gas with lifetime tau; and H2 on the surface is a 2-D liquid undergoing Brownian motion (diffusion) with surface lifetime tau.
The ortho:para ratio of H{sub 3}{sup +} in laboratory and astrophysical plasmas
Crabtree, Kyle N.; Indriolo, Nick; Kreckel, Holger; McCall, Benjamin J.
The discovery of H{sub 3}{sup +} in the diffuse interstellar medium has dramatically changed our view of the cosmic-ray ionization rate in diffuse molecular clouds. However, another surprise has been that the ortho:para ratio of H{sub 3}{sup +} in these clouds is inconsistent with the temperature derived from the excitation of H{sub 2}, the dominant species in these clouds. In an effort to understand this discrepancy, we have embarked on an experimental program to measure the nuclear spin dependence of the dissociative electron recombination rate of H{sub 3}{sup +} using the CRYRING and TSR ion storage rings. We have also performed the first measurements of the reaction H{sub 3}{sup +}+H{sub 2}→H{sub 2}+H{sub 3}{sup +} below room temperature. This reaction is likely the most common bimolecular reaction in the universe, and plays an important role in interconverting ortho- and para-H{sub 3}{sup +}. Finally, we have constructed a steady-state chemical model for diffuse clouds, which takes into account the spin-dependence of the formation of H{sub 3}{sup +}, its electron recombination, and its reaction with H{sub 2}. We find that the ortho:para ratio of H{sub 3}{sup +} in diffuse clouds is likely governed by a competition between dissociative recombination and thermalization by reactive collisions.
ParaGard gets mixed reviews at one-year anniversary.
IUDs fill a need for reliable convenient contraceptives in multiparous, monogamous women who have no history of ectopic pregnancy, pelvic inflammatory disease, or sexually transmitted disease, and who are primarily interested in birth spacing or who have completed their family and do not opt for sterilization. The only IUDs currently available in the US are Progestasert, a progestin-releasing device that must be replaced after 1 year, and ParaGard, a copper-bearing device manufactured by GynoPharma, that can be left in place for up to 4 years. IUD use has declined in the US because of adverse publicity and lawsuits. Both IUDs have problems with insertion. There is an incidence of 1.8 cervical lacerations for every 100 insertions, and the ParaGard inserter is likely to drop to the floor if the clinician fails to use the thumb ring, which is designed to keep it from doing so. ParaGard is accompanied by a 5-page consent form to protect the manufacturer, which deters many women. Prophylactic administration of antibiotics before insertion is recommended, and some clinicians recommend ibuprofen to prevent inflammation. Both IUDs cost about $80. PMID:12282179
Quantum chemical and experimental study of 1,2,4-trihydroxy-para-menthane
NASA Astrophysics Data System (ADS)
Rottmannová, Lenka; Lukeš, Vladimír; Ilčin, Michal; Fodran, Peter; Herich, Peter; Kožíšek, Jozef; Liptaj, Tibor; Klein, Erik
The conformational analysis of the para-menthane (PM) and 1,2,4-trihydroxy-para-menthane (TPM) is performed using the quantum chemical density functional theory (DFT) and ab initio Møller-Plesset perturbation theory up to the second order (MP2). In TPM, three hydroxyl groups generate eight stereoisomers comparing to the four para-menthane stereoisomers. From the thermodynamics point of view, the most preferred conformations show the chair-shaped configuration of the cyclohexane ring. The obtained energy barriers for the isopropyl group rotation in the chair-shaped stereoisomers are between 35 and 45 kJ mol-1. The crystal structure as well as the solvated TPM stereoisomer isolated from the Tea tree oil, Melaleuca alternifolia (Maiden & Betche) Cheel, were investigated experimentally. Isolated stereoisomer corresponds to the most energetically preferred conformation and the calculated structural data agree very well with the results from the X-ray and nuclear magnetic resonance measurements. Finally, the influence of the conformation and the presence of the intramolecular hydrogen bonds on the homolytic Osbnd H bond dissociation enthalpies and proton affinities were also discussed with respect to the simple alcohols (methanol, iso-propanol, iso-pentanol, tert-butanol, cyclohexanol) and phenol.
El diseño final del espectrógrafo de banco (EBASIM) para CASLEO
NASA Astrophysics Data System (ADS)
Simmons, J.; Levato, H.
Utilizando el código de óptica ACCOS V se ha finalizado el diseño del espectrógrafo de banco para CASLEO. En una comunicación anterior habíamos indicado que utilizaríamos un colimador de 150 mm de diámetro con un radio de curvatura de 1540 mm. Para el espejo cámara, que tiene un diámetro de 200 mm, el radio de curvatura es de 1200 mm, ambos radios con una tolerancia no mayor a los 3 mm. En la presente, se informa sobre los detalles finales del cálculo del espectrógrafo que incluye el cómputo para 5 longitudes de onda diferentes y alrededor de 100 rayos. En todos los casos el 75 % de energía está dentro de un diámetro de 13 micrones. El diseño ha sido probado entre 3500 Å hasta 9000 Å con resultados satisfactorios.
Base de linhas moleculares para síntese espectral estelar
NASA Astrophysics Data System (ADS)
Milone, A.; Sanzovo, G.
A análise das abundâncias quí micas fotosféricas em estrelas do tipo solar ou tardia, através do cálculo teórico de seus espectros, emprega a espectroscopia de alta resolução e necessita de uma base representativa de linhas atômicas e moleculares com suas respectivas constantes bem determinadas. Nesse trabalho, utilizamos como ponto de partida as extensas listas de linhas espectrais de sistemas eletrônicos de algumas moléculas diatômicas compiladas por Kurucz para a construção de uma base de linhas moleculares para a sí ntese espectral estelar. Revisamos as determinações dos fatores rotacionais de Honl-London das forças de oscilador das linhas moleculares, para cada banda vibracional de alguns sistemas eletrônicos, seguindo a regra usual de normalização. Usamos as forças de oscilador eletrônicas da literatura. Os fatores vibracionais de Franck-Condon de cada banda foram especialmente recalculados empregando-se novas constantes moleculares. Reproduzimos, com êxito, as absorções espectrais de determinadas bandas eletrônicas-vibracionais das espécies moleculares C12C12, C12N14 e Mg24H em espectros de estrelas de referência como o Sol e Arcturus.
Effects of para-substituents of styrene derivatives on their chemical reactivity on platinum nanoparticle surfaces.
Hu, Peiguang; Chen, Limei; Deming, Christopher P; Lu, Jia-En; Bonny, Lewis W; Chen, Shaowei
Stable platinum nanoparticles were successfully prepared by the self-assembly of para-substituted styrene derivatives onto the platinum surfaces as a result of platinum-catalyzed dehydrogenation and transformation of the vinyl groups to the acetylene ones, forming platinum-vinylidene/-acetylide interfacial bonds. Transmission electron microscopic measurements showed that the nanoparticles were well dispersed without apparent aggregation, suggesting sufficient protection of the nanoparticles by the organic capping ligands, and the average core diameter was estimated to be 2.0 ± 0.3 nm, 1.3 ± 0.2 nm, and 1.1 ± 0.2 nm for the nanoparticles capped with 4-tert-butylstyrene, 4-methoxystyrene, and 4-(trifluoromethyl)styrene, respectively, as a result of the decreasing rate of dehydrogenation with the increasing Taft (polar) constant of the para-substituents. Importantly, the resulting nanoparticles exhibited unique photoluminescence, where an increase of the Hammett constant of the para-substituents corresponded to a blue-shift of the photoluminescence emission, suggesting an enlargement of the HOMO-LUMO band gap of the nanoparticle-bound acetylene moieties. Furthermore, the resulting nanoparticles exhibited apparent electrocatalytic activity towards oxygen reduction in acidic media, with the best performance among the series of samples observed with the 4-tert-butylstyrene-capped nanoparticles due to an optimal combination of the nanoparticle core size and ligand effects on the bonding interactions between platinum and oxygen species. PMID:27242019
The "drinking-buddy" scale as a measure of para-social behavior.
Powell, Larry; Richmond, Virginia P; Cantrell-Williams, Glenda
Para-social behavior is a form of quasi-interpersonal behavior that results when audience members develop bonds with media personalities that can resemble interpersonal social interaction, but is not usually applied to political communication. This study tested whether the "Drinking-Buddy" Scale, a simple question frequently used in political communication, could be interpreted as a single-item measure of para-social behavior with respect to political candidates in terms of image judgments related to interpersonal attraction and perceived similarity to self. The participants were college students who had voted in the 2008 election. They rated the candidates, Obama or McCain, as drinking buddies and then rated the candidates' perceived similarity to themselves in attitude and background, and also the social and task attraction to the candidate. If the drinking-buddy rating serves as a proxy measure for para-social behavior, then it was expected that participants' ratings for all four kinds of similarity to and attraction toward a candidate would be higher for the candidate they chose as a drinking buddy. The directional hypotheses were supported for interpersonal attraction, but not for perceived similarity. These results indicate that the drinking-buddy scale predicts ratings of interpersonal attraction, while voters may view perceived similarity as an important but not essential factor in their candidate preference. PMID:22897105
Single crystalline nature of para-sexiphenyl crystallites grown on KCl(100).
Haber, T; Oehzelt, M; Resel, R; Andreev, A; Thierry, A; Sitter, H; Smilgies, D M; Schaffer, B; Grogger, W; Resel, R
This work focuses on studies of the single crystal nature of para-sexiphenyl structures grown on freshly cleaved KCl(100) surfaces. Two different kinds of morphologies, namely terrace like structures and needle like structures, are found by atomic force microscopy as well as by electron microscopy. Regardless of the morphology the individual crystallites show highly regular shapes. The crystalline alignment and the degree of order of the crystallites on the surface are determined by X-ray diffraction. Several epitaxial alignments of para-sexiphenyl on KCl(100) are observed and all of them are perfectly aligned on the surface. The rocking curve widths of the organic crystallites do not exceed 800" which is approximately only the four fold of the substrates' ones. The single crystalline nature of para-sexiphenyl crystallites is proven by transmission electron microscopy, diffraction patterns, dark field imaging and high resolution techniques. Single crystalline terraced mounds reach diameters of several microns and heights of 50 nm. Single crystal needles show heights and breadths of more than 100 nm and lengths of several microns. PMID:16573123
Neoplasias mieloproliferativas y síndromes mielodisplásicos—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento de las neoplasias mieloproliferativas, así como referencias a estudios clínicos y otros temas relacionados.
Melhoramentos no código Wilson-Devinney para binárias eclipsantes
NASA Astrophysics Data System (ADS)
Vieira, L. A.; Vaz, L. P. R.
A análise de curvas de luz e velocidades radiais de sistemas binários eclipsantes pode ser feita por meio de vários modelos. Um desses é o Modelo Wilson-Devinney (WD). Ao longo dos anos, esse modelo sofreu várias alterações em seus códigos principais, com a finalidade de torná-lo mais consistente tanto fíisica como numericamente. O Modelo WD tem sido melhorado de várias maneiras em seus dois códigos: um para a predição das curvas de luz teórica e de velocidade radiais e outra para as soluções destas curvas. Teoricamente, na física do modelo, nós introduzimos a possibilidade de levar em conta os efeitos do movimento apsidal. Numericamente, nós introduzimos a possibilidade de usar o Método SIMPLEX no procedimento da solução, como uma alternativa para o já implementado Método de Mínimos Quadrados (Least Squares Method). Estas modificações, juntamente com outras já introduzidas pelo nosso grupo anteriormente, tornam o código mais eficiente na solução das curvas de luz e de velocidade radiais de binárias eclipsantes. Como o modelo tem sido usado para analisar sistemas com componentes pré-sequência principal (TY CrA, Casey et al. 1998, Vaz et al. 1998), SM 790, Stassun et al. 2003), este melhoramento beneficiará estes casos também. Apresentamos os resultados obtidos com a modificação do código WD por meio do uso de dados da estrela GL Carinae, comprovando, (1) que os parâmetros orbitais calculados por nós são coerentes com os obtidos anteriormente na literatura (Giménez & Clausen, 1986) e com os obtidos por Faria (1987), e (2) que a implementação do Método SIMPLEX torna o código mais lento mas completamente consistente internamente e evita os problemas gerados pelo uso do Método de Mínimos Quadrados, tais como imprecisão no cálculo das derivadas parciais e convergência para mínimos locais.
Quantum Monte Carlo Simulation of Vibrational Frequency Shifts of CO in Solid para-HYDROGEN
NASA Astrophysics Data System (ADS)
Wang, Lecheng; Le Roy, Robert; Roy, Pierre-Nicholas
Stimulated by Fajardo's remarkable study of the rovibrational spectra of CO isotopologues trapped in solid para-hydrogen, we have performed quantum Monte Carlo simulations to predict his observed vibrational frequency shifts and inertial rotational constants using 2-body potentials based on the best available models for the pH_2-pH_2 and CO-pH_2, potential energy functions. We started by fitting an analytic `Morse/Long-Range' (MLR) function to the 1D ``adiabaic hindered rotor" version of Hinde's 5D pH_2-pH_2 potential developed by Faruk et al. We then modified it to take account of many-body effects by scaling it until it yielded the correct equilibrium lattice parameters for the fcc and hcp structures of pure solid para-hydrogen. A CO molecule was then placed at different interstitial or substitution sites in large equilibrated fcc or hcp para-hydrogen lattices, and the structural and dynamical behaviors of the micro-solvation environment around CO were simulated with a PIMC algorithm using a 2D effective pH_2-CO potential based on the 5D H_2--CO potential energy surface recently reported by Li et al., with a lattice sum of values of the 2D CO vibrational difference potential being use to predict the vibrational frequency shift. The effective rotational constants Beff for CO in different solid para-hydrogen structures were also calculated and compared with the experimental observations and with predicted Beff values for CO in large-sized para-hydrogen--CO clusters. M. E. Fajardo, J. Phys. Chem. A 117, 13504 (2013). R. Hinde, J. Chem. Phys., 128, 154308 (2008). H. Li, X-L. Zhang, R.J. Le Roy, and P.-N. Roy, J. Chem. Phys. 139, 164315 (2013). R.J. Le Roy, C.C. Haugen, J. Tao and Hui Li, Mol. Phys., 109, 435 (2011) N. Faruk, R.J. Le Roy, and P.-N. Roy, J. Chem. Phys. (submitted December 2013). Y. Mizumoto and Y. Ohtsuki, Chem. Phys. Lett. 501, 304 (2011).
Implementação de um algoritmo para a limpeza de mapas da RCFM
NASA Astrophysics Data System (ADS)
Souza, C. L.; Wuensche, C. A.
A Radiação Cósmica de Fundo em Microondas (RCFM), descoberta por Penzias e Wilson em 1965, é uma das ferramentas mais poderosas para o estudo da cosmologia. Com a descoberta de flutuações de temperatura na RCFM, da ordem de uma parte em 105, pelo COBE (1992), uma nova era teve início. Nos últimos onze anos, diversos instrumentos fizeram novas medidas de alta precisão, refinando os resultados apresentados pelo COBE, culminando com os resultados recentes do satélite WMAP. A análise de dados da RCFM, especialmente no caso de experimentos com pequena cobertura do céu, apresenta uma série de dificuldades devido a emissões de contaminantes externos, tais como a emissão da Galáxia e de fontes pontuais, e de ruídos intrínsecos tanto ao sistema de detecção quanto à estratégia de observação do céu. Uma das soluções típicas para a filtragem de dados brutos de um experimento para medir flutuações de temperatura é aplicar um gabarito (template) e um filtro passa alta ao produzir mapas simplificados (sem considerar matrizes de correlação ou covariância). No caso de experimentos que utilizam detectores HEMT, essa combinação de filtros remove, satisfatoriamente, ruídos do tipo 1/f gerados pela instabilidade no ganho do detector acoplado ao movimento do instrumento, definido pela estratégia de observação. Entretanto, o sinal resultante medido, tanto em simulações quanto em séries temporais reais, sugere que parte do sinal cosmológico pode estar sendo removido junto com o ruído dos detectores. Este trabalho descreve as etapas para a produção de um mapa típico (simulado) e os testes preliminares de um algoritmo para remover ruídos do tipo 1/f introduzidos pela estratégia de observação sem prejudicar a qualidade do sinal cosmológico presente no mapa.
ParaDyn Implementation in the US Navy's DYSMAS Simulation System: FY08 Progress Report
Ferencz, R M; DeGroot, A J; Lin, J I; Zywicz, E; Durrenberger, J K; Sherwood, R J; Corey, I R
The goal of this project is to increase the computational efficiency and capacity of the Navy's DYSMAS simulation system for full ship shock response to underwater explosion. Specifically, this project initiates migration to a parallel processing capability for the structural portion of the overall fluid-structure interaction model. The capstone objective for the first phase is to demonstrate operation of the DYSMAS simulation engine with a production model on a Naval Surface Warfare Center (IHD) parallel platform using the ParaDyn code for parallel processing of the structural dynamics. This year saw a successful launch to integrate ParaDyn, the high-parallel structural dynamics code from Lawrence Livermore National Laboratory (LLNL), into the DYSMAS system for simulating the response of ship structures to underwater explosion (UNDEX). The current LLNL version of DYNA3D, representing ten years of general development beyond the source branch used to initiate DYNA-N customization for DYSMAS, was first connected to the GEMINI flow code through DYSMAS Standard Coupler Interface (SCI). This permitted an early 'sanity check' by Naval Surface Warfare Center, Indian Head Division (NSWC-IHD) personnel that equivalent results were generated for their standard UNDEX test problems, thus ensuring the Verification & Validation pedigree they have developed remains intact. The ParaDyn code was then joined to the SCI in a manner requiring no changes to GEMINI. Three NSWC-IHD engineers were twice hosted at LLNL to become familiar with LLNL computer systems, the execution of the prototype software system, and to begin assessment of its accuracy and performance. Scaling data for the flow solver GEMINI was attained up to a one billion cell, 1000 processor run. The NSWC-IHD engineers were granted privileges to continue their evaluations through remote connections to LLNL's Open Computing Facility. Finally, the prototype changes were integrated into the mainline ParaDyn source
El uso de la neuromodulación para el tratamiento del temblor
Bendersky, Damián; Ajler, Pablo; Yampolsky, Claudio
Introducción: El temblor puede ser un desorden incapacitante y el tratamiento de primera línea para estos pacientes es farmacológico. Sin embargo, este tratamiento puede llevar a una reducción satisfactoria del temblor en sólo el 50% de los pacientes con temblor esencial. La talamotomía era el tratamiento de elección para el temblor refractario al tratamiento médico hasta que comenzó a utilizarse la estimulación cerebral profunda (ECP) del núcleo ventral intermedio (Vim) del tálamo. En la actualidad, raramente se realiza la talamotomía. Métodos: Este artículo es una revisión no sistemática de las indicaciones, resultados, parámetros de programación y técnica quirúrgica de la ECP del Vim para el tratamiento del temblor. Resultados: Aunque los resultados clínicos son similares usando la talamotomía o la ECP del Vim, la primera causa más efectos adversos que la última. Además, la ECP puede ser usada bilateralmente, mientras que la talamotomía tiene un alto riesgo de causar disartria cuando se realiza de ambos lados. La ECP del Vim logró una adecuada mejoría del temblor en varias series de pacientes con temblor causado por temblor esencial, enfermedad de Parkinson o esclerosis múltiple. Además del Vim, hay otros blancos que están siendo usados por varios autores, tales como la zona incerta y las radiaciones prelemniscales. Conclusión: La ECP del Vim es un tratamiento útil para el temblor incapacitante refractario al tratamiento médico. Es esencial realizar una precisa selección de pacientes, así como utilizar una técnica quirúrgica correcta. Aún se desconoce el mejor blanco estereotáctico para el temblor, aunque el Vim es el más usado. PMID:25165613
Charge-transfer complexation and photoreduction of viologen derivatives bearing the para-substituted benzophenone group in dimethyl sulfoxide
Tanaka, Chiho; Nambu, Yoko; Endo, Takeshi
New viologen derivatives having the various para-substituted benzophenone groups connected with a -(CH{sub 2}){sub 3}-linkage were effectively photoreduced by dimethyl sulfoxide by the intramolecular charge transfer complex formation between the viologen and benzophenone groups through effective stacking. The photoreduction was enhanced by the introduction of electron-donating para-substituents on the benzophenone units which were favorable for the intramolecular charge transfer complexation. 6 refs., 5 figs.
Conformational isomerism in the solid-state structures of tetracaine and tamoxifen with para-sulphonato-calix[4]arene
NASA Astrophysics Data System (ADS)
Danylyuk, Oksana; Monachino, Melany; Lazar, Adina N.; Suwinska, Kinga; Coleman, Anthony W.
The solid-state complexes between para-sulphonato-calix[4]arene and the drugs tamoxifen and tetracaine show an unusual 4:1 guest-host stoichiometry with formation of hydrophobic layer of drug molecules held between bilayers of para-sulphonato-calix[4]arene. In both structures each of the four independent drug molecules adopts different conformation due to the different mode of interaction with the anionic host, the neighbouring drug cations and water molecules.
Identification and Characterization of Catabolic para-Nitrophenol 4-Monooxygenase and para-Benzoquinone Reductase from Pseudomonas sp. Strain WBC-3▿
Zhang, Jun-Jie; Liu, Hong; Xiao, Yi; Zhang, Xian-En; Zhou, Ning-Yi
Pseudomonas sp. strain WBC-3 utilizes para-nitrophenol (PNP) as a sole source of carbon, nitrogen, and energy. In order to identify the genes involved in this utilization, we cloned and sequenced a 12.7-kb fragment containing a conserved region of NAD(P)H:quinone oxidoreductase genes. Of the products of the 13 open reading frames deduced from this fragment, PnpA shares 24% identity to the large component of a 3-hydroxyphenylacetate hydroxylase from Pseudomonas putida U and PnpB is 58% identical to an NAD(P)H:quinone oxidoreductase from Escherichia coli. Both PnpA and PnpB were purified to homogeneity as His-tagged proteins, and they were considered to be a monomer and a dimer, respectively, as determined by gel filtration. PnpA is a flavin adenine dinucleotide-dependent single-component PNP 4-monooxygenase that converts PNP to para-benzoquinone in the presence of NADPH. PnpB is a flavin mononucleotide-and NADPH-dependent p-benzoquinone reductase that catalyzes the reduction of p-benzoquinone to hydroquinone. PnpB could enhance PnpA activity, and genetic analyses indicated that both pnpA and pnpB play essential roles in PNP mineralization in strain WBC-3. Furthermore, the pnpCDEF gene cluster next to pnpAB shares significant similarities with and has the same organization as a gene cluster responsible for hydroquinone degradation (hapCDEF) in Pseudomonas fluorescens ACB (M. J. Moonen, N. M. Kamerbeek, A. H. Westphal, S. A. Boeren, D. B. Janssen, M. W. Fraaije, and W. J. van Berkel, J. Bacteriol. 190:5190-5198, 2008), suggesting that the genes involved in PNP degradation are physically linked. PMID:19218392
Effects of para-substituents of styrene derivatives on their chemical reactivity on platinum nanoparticle surfaces
NASA Astrophysics Data System (ADS)
Hu, Peiguang; Chen, Limei; Deming, Christopher P.; Lu, Jia-En; Bonny, Lewis W.; Chen, Shaowei
Stable platinum nanoparticles were successfully prepared by the self-assembly of para-substituted styrene derivatives onto the platinum surfaces as a result of platinum-catalyzed dehydrogenation and transformation of the vinyl groups to the acetylene ones, forming platinum-vinylidene/-acetylide interfacial bonds. Transmission electron microscopic measurements showed that the nanoparticles were well dispersed without apparent aggregation, suggesting sufficient protection of the nanoparticles by the organic capping ligands, and the average core diameter was estimated to be 2.0 +/- 0.3 nm, 1.3 +/- 0.2 nm, and 1.1 +/- 0.2 nm for the nanoparticles capped with 4-tert-butylstyrene, 4-methoxystyrene, and 4-(trifluoromethyl)styrene, respectively, as a result of the decreasing rate of dehydrogenation with the increasing Taft (polar) constant of the para-substituents. Importantly, the resulting nanoparticles exhibited unique photoluminescence, where an increase of the Hammett constant of the para-substituents corresponded to a blue-shift of the photoluminescence emission, suggesting an enlargement of the HOMO-LUMO band gap of the nanoparticle-bound acetylene moieties. Furthermore, the resulting nanoparticles exhibited apparent electrocatalytic activity towards oxygen reduction in acidic media, with the best performance among the series of samples observed with the 4-tert-butylstyrene-capped nanoparticles due to an optimal combination of the nanoparticle core size and ligand effects on the bonding interactions between platinum and oxygen species.Stable platinum nanoparticles were successfully prepared by the self-assembly of para-substituted styrene derivatives onto the platinum surfaces as a result of platinum-catalyzed dehydrogenation and transformation of the vinyl groups to the acetylene ones, forming platinum-vinylidene/-acetylide interfacial bonds. Transmission electron microscopic measurements showed that the nanoparticles were well dispersed without apparent
Madres para la Salud: Design of a Theory-based Intervention for Postpartum Latinas
Keller, Colleen; Records, Kathie; Ainsworth, Barbara; Belyea, Michael; Permana, Paska; Coonrod, Dean; Vega-López, Sonia; Nagle-Williams, Allison
Background Weight gain in young women suggests that childbearing may be an important contributor to the development of obesity in women. Depressive symptoms can interfere with resumption of normal activity levels following childbirth or with the initiation of or adherence to physical activity programs essential for losing pregnancy weight. Depression symptoms may function directly to promote weight gain through a physiologic mechanism. Obesity and its related insulin resistance may contribute to depressed mood physiologically. Although physical activity has well-established beneficial effects on weight management and depression, women tend to under participate in physical activity during childbearing years. Further, the mechanisms underpinning the interplay of overweight, obesity, physical activity, depression, and inflammatory processes are not clearly explained. Objectives This report describes the theoretical rationale, design considerations, and cultural relevance for "Madres para la Salud" [Mothers for Health]. Design and Methods Madres para la Salud is a 12 month prospective, randomized controlled trial exploring the effectiveness of a culturally specific intervention using "bouts" of physical activity to effect changes in body fat, systemic and fat tissue inflammation, and postpartum depression symptoms in sedentary postpartum Latinas. Summary The significance and innovation of Madres para la Salud includes use of a theory-driven approach to intervention, specification and cultural relevance of a social support intervention, use of a Promotora model to incorporate cultural approaches, use of objective measures of physical activity in post partum Latinas women, and the examination of biomarkers indicative of cardiovascular risk related to physical activity behaviors in postpartum Latinas. PMID:21238614
Supported transition metal catalysts for para- to ortho-hydrogen conversion
NASA Technical Reports Server (NTRS)
Brooks, Christopher J.; Wang, Wei; Eyman, Darrell P.
The main goal of this study was to develop and improve on existing catalysts for the conversion of ortho- to para-hydrogen. Starting with a commercially available Air Products nickel silicate, which had a beta value of 20, we were trying to synthesize catalysts that would be an improvement to AP. This was accomplished by preparing silicates with various metals as well as different preparation methods. We also prepared supported ruthenium catalysts by various techniques using several metal precursors to improve present technology. What was also found was that the activation conditions prior to catalytic testing was highly important for both the silicates and the supported ruthenium catalysts. While not the initial focus of the research, we made some interesting observations into the adsorption of H2 on ruthenium. This helped us to get a better understanding of how ortho- to para-H2 conversion takes place, and what features in a catalyst are important to optimize activity. Reactor design was the final area in which some interesting conclusions were drawn. As discussed earlier, the reactor catalyst bed must be constructed using straight 1/8 feet OD stainless steel tubing. It was determined that the use of 1/4 feet OD tubing caused two problems. First, the radius from the center of the bed to the wall was too great for thermal equilibrium. Since the reaction of ortho- to para-H2 is exothermic, the catalyst bed center was warmer than the edges. Second, the catalyst bed was too shallow using a 1/4 feet tube. This caused reactant blow-by which was thought to decrease the measured activity when the flow rate was increased. The 1/8 feet tube corrected both of these concerns.
Molecular basis for H blood group deficiency in Bombay (Oh) and para-Bombay individuals.
Kelly, R J; Ernst, L K; Larsen, R D; Bryant, J G; Robinson, J S; Lowe, J B
The penultimate step in the biosynthesis of the human ABO blood group oligosaccharide antigens is catalyzed by alpha-(1,2)-fucosyltransferase(s) (GDP-L-fucose: beta-D-galactoside 2-alpha-L-fucosyltransferase, EC 18.104.22.168), whose expression is determined by the H and Secretor (SE) blood group loci (also known as FUT1 and FUT2, respectively). These enzymes construct Fuc alpha 1-->2Gal beta-linkages, known as H determinants, which are essential precursors to the A and B antigens. Erythrocytes from individuals with the rare Bombay and para-Bombay blood group phenotypes are deficient in H determinants, and thus A and B determinants, as a consequence of apparent homozygosity for null alleles at the H locus. We report a molecular analysis of a human alpha-(1,2)-fucosyltransferase gene, thought to correspond to the H blood group locus, in a Bombay pedigree and a para-Bombay pedigree. We find inactivating point mutations in the coding regions of both alleles of this gene in each H-deficient individual. These results define the molecular basis for H blood group antigen deficiency in Bombay and para-Bombay phenotypes, provide compelling evidence that this gene represents the human H blood group locus, and strongly support a hypothesis that the H and SE loci represent distinct alpha-(1,2)-fucosyltransferase genes. Candidate sequences for the human SE locus are identified by low-stringency Southern blot hybridization analyses, using a probe derived from the H alpha-(1,2)-fucosyltransferase gene. Images PMID:7912436
Improvement of DNA minicircle production by optimization of the secondary structure of the 5'-UTR of ParA resolvase.
Šimčíková, Michaela; Alves, Cláudia P A; Brito, Liliana; Prather, Kristala L J; Prazeres, Duarte M F; Monteiro, Gabriel A
The use of minicircles in gene therapy applications is dependent on the availability of high-producer cell systems. In order to improve the performance of minicircle production in Escherichia coli by ParA resolvase-mediated in vivo recombination, we focus on the 5' untranslated region (5'-UTR) of parA messenger RNA (mRNA). The arabinose-inducible PBAD/araC promoter controls ParA expression and strains with improved arabinose uptake are used. The 27-nucleotide-long 5'-UTR of parA mRNA was optimized using a predictive thermodynamic model. An analysis of original and optimized mRNA subsequences predicted a decrease of 8.6-14.9 kcal/mol in the change in Gibbs free energy upon assembly of the 30S ribosome complex with the mRNA subsequences, indicating a more stable mRNA-rRNA complex and enabling a higher (48-817-fold) translation initiation rate. No effect of the 5'-UTR was detected when ParA was expressed from a low-copy number plasmid (∼14 copies/cell), with full recombination obtained within 2 h. However, when the parA gene was inserted in the bacterial chromosome, a faster and more effective recombination was obtained with the optimized 5'-UTR. Interestingly, the amount of this transcript was 2.6-3-fold higher when compared with the transcript generated from the original sequence, highlighting that 5'-UTR affects the level of the transcript. A Western blot analysis confirmed that E. coli synthesized higher amounts of ParA with the new 5'-UTR (∼1.8 ± 0.7-fold). Overall, these results show that the improvements made in the 5'-UTR can lead to a more efficient translation and hence to faster and more efficient minicircle generation. PMID:27147534
Where does the electron go? The nature of ortho/para and meta group directing in electrophilic aromatic substitution
Liu, Shubin
Electrophilic aromatic substitution as one of the most fundamental chemical processes is affected by atoms or groups already attached to the aromatic ring. The groups that promote substitution at the ortho/para or meta positions are, respectively, called ortho/para and meta directing groups, which are often characterized by their capability to donate electrons to or withdraw electrons from the ring. Though resonance and inductive effects have been employed in textbooks to explain this phenomenon, no satisfactory quantitative interpretation is available in the literature. Here, based on the theoretical framework we recently established in density functional reactivity theory (DFRT), where electrophilicity and nucleophilicity are simultaneously quantified by the Hirshfeld charge, the nature of ortho/para and meta group directing is systematically investigated for a total of 85 systems. We find that regioselectivity of electrophilic attacks is determined by the Hirshfeld charge distribution on the aromatic ring. Ortho/para directing groups have most negative charges on the ortho/para positions, while meta directing groups often possess the largest negative charge on the meta position. Our results do not support that ortho/para directing groups are electron donors and meta directing groups are electron acceptors. Most neutral species we studied here are electron withdrawal in nature. Anionic systems are always electron donors. There are also electron donors serving as meta directing groups. We predicted ortho/para and meta group directing behaviors for a list of groups whose regioselectivity is previously unknown. In addition, strong linear correlations between the Hirshfeld charge and the highest occupied molecular orbital have been observed, providing the first link between the frontier molecular orbital theory and DFRT.
A centroid molecular dynamics study of liquid para-hydrogen and ortho-deuterium.
Hone, Tyler D; Voth, Gregory A
Centroid molecular dynamics (CMD) is applied to the study of collective and single-particle dynamics in liquid para-hydrogen at two state points and liquid ortho-deuterium at one state point. The CMD results are compared with the results of classical molecular dynamics, quantum mode coupling theory, a maximum entropy analytic continuation approach, pair-product forward- backward semiclassical dynamics, and available experimental results. The self-diffusion constants are in excellent agreement with the experimental measurements for all systems studied. Furthermore, it is shown that the method is able to adequately describe both the single-particle and collective dynamics of quantum liquids. PMID:15446940
Various Spectrum of MRI Findings in Articular and Para-articular Tuberculosis: Pictorial Assay.
Panchal, Hiten; Chiripal, Priyanka
Tuberculosis continues to be a health-related issue in India. Musculoskeletal tuberculosis is noted to occur dramatically as isolates, primarily accounting for large numbers of extra-pulmonary tuberculosis since early diagnosis is always a priority; with good prognosis, it is a curable disease. Delayed treatment is associated with severe morbidity. Musculoskeletal tuberculosis accounts for a large number of extra-pulmonary tuberculosis. In this article, we describe various articular and para-articular MRI spectrum findings that are seen in patients with tuberculosis. MRI is the perfect modality to study the extent of involvement and its related complications. PMID:26730089
Unprecedented new nonadecyl para-hydroperoxycinnamate isolated from Erythrina excelsa and its cytotoxic activity.
Kwamou, Guy M N; Sandjo, Louis P; Kuete, Victor; Wandja, Anaelle A K; Tankeo, Simplice B; Efferth, Thomas; Nkengfack, Augustin E
A new unprecedented cinnamate derivative (1) was obtained from Erythrina excelsa (Leguminosae) and identified as nonadecyl para-hydroperoxycinnamate. This compound was isolated together with three known compounds, namely lupeol (2), mixture of sitosterol and stigmasterol (3), and isoneorautenol (4). Their structures were established on the basis of NMR and mass spectroscopic data in conjunction with those reported in the literature. Compound 1 was evaluated for its capability of inhibiting cancer cell lines and growth of a panel of microbial strains. It turned out that 1 is moderately to significantly cytotoxic against six cancer cell lines and shows weak to no antimicrobial activity. PMID:25220189
Stimulated rotational Raman scattering in CO/sub 2/ - pumped para - H/sub 2/
Carlsten, J.L.; Wenzel, R.
Stimulated rotational Raman scattering in a 300 K multipass cell filled with para-H/sub 2/ with a single-mode CO/sub 2/ pump laser was studied using a single-mode OPO as a probe laser at the Stokes frequency for the S/sub 0/ (0) transition. Amplification and pump depletion are examined as a function of incident pump energy. For an incident CO/sub 2/ pump laser energy of 1.5 J, a photon conversion efficiency of 47 percent is observed.
ortho-, meta-, and para-dihydroindenofluorene derivatives as host materials for phosphorescent OLEDs.
Romain, Maxime; Thiery, Sébastien; Shirinskaya, Anna; Declairieux, Céline; Tondelier, Denis; Geffroy, Bernard; Jeannin, Olivier; Rault-Berthelot, Joëlle; Métivier, Rémi; Poriel, Cyril
This work reports the first structure-properties relationship study of ortho [2,1-c]-, meta [1,2-a]-, and para [1,2-b]dihydroindenofluorenes, highlighting the influence of bridge rigidification on the electronic properties. This study has made it possible to devise an extended π-conjugated molecule with both a high triplet state energy level and excellent thermal and morphological stability. As a proof of concept, dihydroindenofluorenes were used as the host in sky-blue phosphorescent organic light-emitting diodes (PhOLEDs) with high performance. PMID:25469476
Three-dimensional treatment planning for para-aortic node irradiation in patients with cervical cancer
Munzenrider, J.E.; Doppke, K.P.; Brown, A.P.; Burman, C.; Cheng, E.; Chu, J.; Chui, C.; Drzymala, R.E.; Goitein, M.; Manolis, J.M. )
Three-dimensional treatment planning has been used by four cooperating centers to prepare and analyze multiple treatment plans on two cervix cancer patients. One patient had biopsy-proven and CT-demonstrable metastasis to the para-aortic nodes, while the other was at high risk for metastatic involvement of para-aortic nodes. Volume dose distributions were analyzed, and an attempt was made to define the role of 3-D treatment planning to the para-aortic region, where moderate to high doses (50-66 Gy) are required to sterilize microscopic and gross metastasis. Plans were prepared using the 3-D capabilities for tailoring fields to the target volumes, but using standard field arrangements (3-D standard), and with full utilization of the 3-D capabilities (3-D unconstrained). In some but not all 3-D unconstrained plans, higher doses were delivered to the large nodal volume and to the volume containing gross nodal disease than in plans analyzed but not prepared with full 3-D capability (3-D standard). The small bowel was the major dose limiting organ. Its tolerance would have been exceeded in all plans which prescribed 66 Gy to the gross nodal mass, although some reduction in small bowel near-maximum dose was achieved in the 3-D unconstrained plans. All plans were able to limit doses to other normal organs to tolerance levels or less, with significant reductions seen in doses to spinal cord, kidneys, and large bowel in the 3-D unconstrained plans, as compared to the 3-D standard plans. A high probability of small bowel injury was detected in one of four 3-D standard plans prescribed to receive 50 Gy to the large para-aortic nodal volume; the small bowel dose was reduced to an acceptable level in the corresponding 3-D unconstrained plan. An optimum beam energy for treating this site was not identified, with plans using 4, 6, 10, 15, 18, and 25 MV photons all being equally acceptable. (Abstract Truncated)
Instrumentation for Astronomy Teaching: Projecting the Sun Image. (Spanish Title: Instrumentación Para la Enseñanza de Astronomía: Proyectando la Imagen del Sol.) Instrumentação Para O Ensino de Astronomia: Projetando a Imagem do Sol
NASA Astrophysics Data System (ADS)
Catelli, Francisco; Giovan, Odilon; Balen, Osvaldo; Siqueira da Silva, Fernando
In this work we describe a simple optical device to project the Sun image which is useful for solar eclipses observing and for sunspots' size estimating.
Se describe un dispositivo óptico simple para proyectar la imagen del Sol, lo cual es apropiado para las observaciones de eclipses solares y para estimar las dimensiones de las manchas solares.
É descrito um dispositivo ótico simples para projetar a imagem do Sol, adequado para observações de eclipses solares e à estimativa do tamanho das manchas solares.
ParaHox gene expression in larval and postlarval development of the polychaete Nereis virens (Annelida, Lophotrochozoa)
Kulakova, Milana A; Cook, Charles E; Andreeva, Tatiana F
Background Transcription factors that encode ANTP-class homeobox genes play crucial roles in determining the body plan organization and specification of different organs and tissues in bilaterian animals. The three-gene ParaHox family descends from an ancestral gene cluster that existed before the evolution of the Bilateria. All three ParaHox genes are reported from deuterostomes and lophotrochozoans, but not to date from any ecdysozoan taxa, and there is evidence that the ParaHox genes, like the related Hox genes, were ancestrally a single chromosomal cluster. However, unlike the Hox genes, there is as yet no strong evidence that the ParaHox genes are expressed in spatial and temporal order during embryogenesis. Results We isolated fragments of the three Nereis virens ParaHox genes, then used these as probes for whole-mount in situ hybridization in larval and postlarval worms. In Nereis virens the ParaHox genes participate in antero-posterior patterning of ectodermal and endodermal regions of the digestive tract and are expressed in some cells in the segment ganglia. The expression of these genes occurs in larval development in accordance with the position of these cells along the main body axis and in postlarval development in accordance with the position of cells in ganglia along the antero-posterior axis of each segment. In none of these tissues does expression of the three ParaHox genes follow the rule of temporal collinearity. Conclusion In Nereis virens the ParaHox genes are expressed during antero-posterior patterning of the digestive system (ectodermal foregut and hindgut, and endodermal midgut) of Nereis virens. These genes are also expressed during axial specification of ventral neuroectodermal cell domains, where the expression domains of each gene are re-iterated in each neuromere except for the first parapodial segment. These expression domains are probably predetermined and may be directed on the antero-posterior axis by the Hox genes, whose
Um enfoque antropológico para o ensino de astronomia no nível médio
NASA Astrophysics Data System (ADS)
Costa, G. B.; Jafelice, L. C.
Há uma enorme carência de materiais didático-pedagógicos em astronomia para professores do ensino médio, sobretudo materiais que explorem também aspectos humanísticos. A origem do Universo é um bom exemplo desta constatação central. Embora tal origem teve explicações culturais diversas, os professores não têm informações sobre isso e muito menos material que trabalhe diferentes visões de mundo e treinamento que os capacite a abordá-las devidamente. Conseqüentemente o ensino de astronomia costuma ser tecnicista e dissociado do aspecto humano que alimenta o grande interesse e curiosidade que esses temas despertam. Aqui apresentamos propostas visando contribuir para reverter esse quadro e trabalhamos distintas visões de Universo: espontâneas, autóctones e científicas. Desenvolvemos práticas, materiais instrucionais e textos para viabilizar a adoção de um enfoque antropológico para o ensino de astronomia no nível médio, no qual as culturas humanística e científica sejam integradas de uma maneira contextualizada e eficaz para aquele ensino. Estas propostas foram aplicadas em um curso de treinamento para professores da rede pública de diferentes disciplinas. A receptividade dos professores à abordagem proposta e os resultados alcançados foram muito estimulantes. Destes, destacamos: produção de roteiros de atividades; desenvolvimento de práticas didático-pedagógicas específicas (e.g., encenação de mitos; dança primordial guarani; "criação" de constelações e interpretações pluriculturais; etc.); e sugestões concretas para a efetiva realização de um ensino interdisciplinar contextualizado, onde questões cosmogônicas servem de mote para iniciar tal ensino. Discutimos estes resultados e como o enfoque adotado pode instrumentalizar os professores para leituras de mundo que incluem naturalmente aspectos culturais, sociais e históricos associados aos temas estudados. (PPGECNM/UFRN; PRONEX/FINEP; NUPA/USP; Temáticos/FAPESP)
Ordered expression pattern of Hox and ParaHox genes along the alimentary canal in the ascidian juvenile.
Nakayama, Satoshi; Satou, Kunihiro; Orito, Wataru; Ogasawara, Michio
The Hox and ParaHox genes of bilateria share a similar expression pattern along the body axis and are known to be associated with anterior-posterior patterning. In vertebrates, the Hox genes are also expressed in presomitic mesoderm and gut endoderm and the ParaHox genes show a restricted expression pattern in the gut-related derivatives. Regional expression patterns in the embryonic central nervous system of the basal chordates amphioxus and ascidian have been reported; however, little is known about their endodermal expression in the alimentary canal. We focus on the Hox and ParaHox genes in the ascidian Ciona intestinalis and investigate the gene expression patterns in the juvenile, which shows morphological regionality in the alimentary canal. Gene expression analyses by using whole-mount in situ hybridization reveal that all Hox genes have a regional expression pattern along the alimentary canal. Expression of Hox1 to Hox4 is restricted to the posterior region of pharyngeal derivatives. Hox5 to Hox13 show an ordered expression pattern correlated with each Hox gene number along the postpharyngeal digestive tract. This expression pattern along the anterior-posterior axis has also been observed in Ciona ParaHox genes. Our observations suggest that ascidian Hox and ParaHox clusters are dispersed; however, the ordered expression patterns along the alimentary canal appear to be conserved among chordates. PMID:26837224
Determination of the ortho to para ratio of H2Cl+ and H2O+ from submillimeter observations.
Gerin, Maryvonne; de Luca, Massimo; Lis, Dariusz C; Kramer, Carsten; Navarro, Santiago; Neufeld, David; Indriolo, Nick; Godard, Benjamin; Le Petit, Franck; Peng, Ruisheng; Phillips, Thomas G; Roueff, Evelyne
The opening of the submillimeter sky with the Herschel Space Observatory has led to the detection of new interstellar molecular ions, H2O(+), H2Cl(+), and HCl(+), which are important intermediates in the synthesis of water vapor and hydrogen chloride. In this paper, we report new observations of H2O(+) and H2Cl(+) performed with both Herschel and ground-based telescopes, to determine the abundances of their ortho and para forms separately and derive the ortho-to-para ratio. At the achieved signal-to-noise ratio, the observations are consistent with an ortho-to-para ratios of 3 for both H2O(+) and H2Cl(+), in all velocity components detected along the lines-of-sight to the massive star-forming regions W31C and W49N. We discuss the mechanisms that contribute to establishing the observed ortho-to-para ratio and point to the need for a better understanding of chemical reactions, which are important for establishing the H2O(+) and H2Cl(+) ortho-to-para ratios. PMID:23869910
In-Situ Visualization Experiments with ParaView Cinema in RAGE
Kares, Robert John
A previous paper described some numerical experiments performed using the ParaView/Catalyst in-situ visualization infrastructure deployed in the Los Alamos RAGE radiation-hydrodynamics code to produce images from a running large scale 3D ICF simulation. One challenge of the in-situ approach apparent in these experiments was the difficulty of choosing parameters likes isosurface values for the visualizations to be produced from the running simulation without the benefit of prior knowledge of the simulation results and the resultant cost of recomputing in-situ generated images when parameters are chosen suboptimally. A proposed method of addressing this difficulty is to simply render multiple images at runtime with a range of possible parameter values to produce a large database of images and to provide the user with a tool for managing the resulting database of imagery. Recently, ParaView/Catalyst has been extended to include such a capability via the so-called Cinema framework. Here I describe some initial experiments with the first delivery of Cinema and make some recommendations for future extensions of Cinema's capabilities.
Semantics-based distributed I/O with the ParaMEDIC framework.
Balaji, P.; Feng, W.; Lin, H.; Mathematics and Computer Science; Virginia Tech; North Carolina State Univ.
Many large-scale applications simultaneously rely on multiple resources for efficient execution. For example, such applications may require both large compute and storage resources; however, very few supercomputing centers can provide large quantities of both. Thus, data generated at the compute site oftentimes has to be moved to a remote storage site for either storage or visualization and analysis. Clearly, this is not an efficient model, especially when the two sites are distributed over a wide-area network. Thus, we present a framework called 'ParaMEDIC: Parallel Metadata Environment for Distributed I/O and Computing' which uses application-specific semantic information to convert the generated data to orders-of-magnitude smaller metadata at the compute site, transfer the metadata to the storage site, and re-process the metadata at the storage site to regenerate the output. Specifically, ParaMEDIC trades a small amount of additional computation (in the form of data post-processing) for a potentially significant reduction in data that needs to be transferred in distributed environments.
Ortho-to-para ratio in interstellar water on the sightline toward Sagittarius B2(N).
Lis, Dariusz C; Bergin, Edwin A; Schilke, Peter; van Dishoeck, Ewine F
The determination of the water ortho-to-para ratio (OPR) is of great interest for studies of the formation and thermal history of water ices in the interstellar medium and protoplanetary disk environments. We present new Herschel observations of the fundamental rotational transitions of ortho- and para-water on the sightline toward Sagittarius B2(N), which allow improved estimates of the measurement uncertainties due to instrumental effects and assumptions about the excitation of water molecules. These new measurements, suggesting a spin temperature of 24-32 K, confirm the earlier findings of an OPR below the high-temperature value on the nearby sightline toward Sagittarius B2(M). The exact implications of the low OPR in the galactic center molecular gas remain unclear and will greatly benefit from future laboratory measurements involving water freeze-out and evaporation processes under low-temperature conditions, similar to those present in the galactic interstellar medium. Given the specific conditions in the central region of the Milky Way, akin to those encountered in active Galactic nuclei, gas-phase processes under the influence of strong X-ray and cosmic ray ionization also have to be carefully considered. We summarize some of the latest laboratory measurements and their implications here. PMID:23656468
Rotational relaxation of CS by collision with ortho- and para-H{sub 2} molecules
Denis-Alpizar, Otoniel; Stoecklin, Thierry Halvick, Philippe; Dubernet, Marie-Lise
Quantum mechanical investigation of the rotationally inelastic collisions of CS with ortho- and para-H{sub 2} molecules is reported. The new global four-dimensional potential energy surface presented in our recent work is used. Close coupling scattering calculations are performed in the rigid rotor approximation for ortho- and para-H{sub 2} colliding with CS in the j = 0–15 rotational levels and for collision energies ranging from 10{sup −2} to 10{sup 3} cm{sup −1}. The cross sections and rate coefficients for selected rotational transitions of CS are compared with the ones previously reported for the collision of CS with He. The largest discrepancies are observed at low collision energy, below 1 cm{sup −1}. Above 10 cm{sup −1}, the approximation using the square root of the relative mass of the colliders to calculate the cross sections between a molecule and H{sub 2} from the data available with {sup 4}He is found to be a good qualitative approximation. The rate coefficients calculated with the electron gas model for the He-CS system show more discrepancy with our accurate results. However, scaling up these rates by a factor of 2 gives a qualitative agreement.
Infrapatellar Fat Pad Para-Articular Osteochondroma: A Ten-Year Follow-up and Review
Bombaci, Hasan; Bilgin, Emre
Introduction: Para-articular masses are not clear enough in terms of their etiology and nomenclature. Although surgical removal of the mass is the preferred treatment, long term follow-up after surgical treatment has not been reported yet. The current study presents a patient with the osteo-cartilaginous mass of infrapatellar region, diagnosed after a trauma. This case has the longest follow-up period in the literature. Case Presentation: A 52-year-old female patient referred after falling down on her right knee. Lateral radiographs of the knee revealed a mass in the infrapatellar area. The case was treated surgically by total excision of the mass. The mass was extra-capsular with lobular and irregular shape. After mass removal the clinical course was uneventful and at the 10-year follow-up, no signs of recurrence were evident clinically or radiologically. Conclusions: Tumor-like lesions within the infrapatellar fat pad should remind the para-articular osteochondroma. Although its etiology has not yet been elicited, operative removal of the mass is the preferred treatment of choice and also curative in long-term follow-up. PMID:26566510
A non-equilibrium ortho-to-para ratio of water in the Orion PDR
NASA Astrophysics Data System (ADS)
Choi, Y.; van der Tak, F. F. S.; Bergin, E. A.; Plume, R.
Context. The ortho-to-para ratio (OPR) of H2O is thought to be sensitive to the temperature of water formation. The OPR of H2O is thus useful for studying the formation mechanism of water. Aims: We investigate the OPR of water in the Orion PDR (photon-dominated region), at the Orion Bar and Orion S positions, using data from Herschel/HIFI. Methods: We detect the ground-state lines of ortho- and para-H218O in the Orion Bar and Orion S and estimate the column densities using local thermodynamical equilibrium (LTE) and non-LTE methods. Results: Based on our calculations, the OPR in the Orion Bar is 0.1-0.5, which is unexpectedly low given the gas temperature of ~85 K, and also lower than the values measured for other interstellar clouds and protoplanetary disks. Toward Orion S, our OPR estimate is below 2. Conclusions: This low OPR at 2 positions in the Orion PDR is inconsistent with gas phase formation and with thermal evaporation from dust grains, but it may be explained by photodesorption. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.Appendices are available in electronic form at http://www.aanda.org
O-Methylation of Chlorinated para-Hydroquinones by Rhodococcus chlorophenolicus
Häggblom, Max M.; Apajalahti, Juha H. A.; Salkinoja-Salonen, Mirja S.
Rhodococcus chlorophenolicus PCP-I, a degrader of polychlorinated phenols, guaiacols (2-methoxyphenols), and syringols (2,6-dimethoxyphenols), was shown to O-methylate the degradation intermediate, a chlorinated para-hydroquinone, into 4-methoxyphenol. O-methylation was constitutively expressed, whereas the degradation of chlorophenols and chlorohydroquinones was inducible in R. chlorophenolicus. The O-methylating reaction required two hydroxyl groups in positions para to each other. R. chlorophenolicus selectively methylated the hydroxyl group flanked by two chlorine substituents. Tetrachlorohydroquinone, trichlorohydroquinone, and 2,6-dichlorohydroquinone were methylated into tetrachloro-4-methoxyphenol, 2,3,5-trichloro-4-methoxyphenol, and 3,5-dichloro-4-methoxyphenol, respectively. Chlorohydroquinones with only one chlorine adjacent to a hydroxyl group were methylated only in trace amounts, and no metabolite was formed from hydroquinone. The degradation intermediates formed in hydroxylation of tetrachloroguaiacol and trichlorosyringol by R. chlorophenolicus were O-methylated into two isomeric trichlorodimethoxyphenols and two isomeric dichlorotrimethoxyphenols, respectively. R. chlorophenolicus also degraded the polychlorinated methylation products (tetrachlorinated and trichlorinated 4-methoxyphenols), but not mono- and dichlorinated 4-methoxyphenols. PMID:16347691
Comparing the Well-Being of Para and Olympic Sport Athletes: A Systematic Review.
Macdougall, Hannah; O'Halloran, Paul; Shields, Nora; Sherry, Emma
This systematic review included 12 studies that compared the well-being of Para and Olympic sport athletes. Meta-analyses revealed that Para athletes, compared with Olympic sport athletes, had lower levels of self-acceptance, indicated by athletic identity, d = 0.47, 95% confidence interval (CI) [0.77, 0.16], and body-image perceptions, d = 0.33, 95% CI [0.59, 0.07], and differed from Olympic sport athletes in terms of their motivation, indicated by a greater mastery-oriented climate, d = 0.74, 95% CI [0.46, 1.03]. Given an inability to pool the remaining data for meta-analysis, individual standardized mean differences were calculated for other dimensions of psychological and subjective well-being. The results have implications for professionals and coaches aiming to facilitate the well-being needs of athletes under their care. Future research would benefit from incorporating established models of well-being based on theoretical rationale combined with rigorous study designs. PMID:26113553
Resonances in the reaction ortho- and para- D2 + H at temperatures below 10 K
NASA Astrophysics Data System (ADS)
Simbotin, I.; Côté, R.
In a previous study we reported cross sections for the reaction H2 + D in the temperature regime 10-6 < T < 10 K, and found pronounced shape resonances, especially in the p and d partial waves. We found that the resonant structures were sensitive to the initial rovibrational state of H2; in particular, we showed that the effect of the nuclear-spin symmetry was very important, since ortho- and para- H2 gave significantly different results. We now investigate the reaction D2 + H for vibrationally excited ortho- and para- D2, and compare and contrast these results with those for H2 + D. We remark that this benchmark system is a prototypical example of reactions with a strong barrier, which have very small cross sections in the cold and ultracold regimes. However, shape resonances can enhance the reaction cross sections by orders of magnitude for temperatures around and below T = 1 K. Moreover, resonant features would provide stringent tests for quantum chemistry calculations of potential energy surfaces. Partial support from the US Army Research Office (Grant No. W911NF-13-1-0213).
Effects of acoustic feedback training in elite-standard Para-Rowing.
Schaffert, Nina; Mattes, Klaus
Assessment and feedback devices have been regularly used in technique training in high-performance sports. Biomechanical analysis is mainly visually based and so can exclude athletes with visual impairments. The aim of this study was to examine the effects of auditory feedback on mean boat speed during on-water training of visually impaired athletes. The German National Para-Rowing team (six athletes, mean ± s, age 34.8 ± 10.6 years, body mass 76.5 ± 13.5 kg, stature 179.3 ± 8.6 cm) participated in the study. Kinematics included boat acceleration and distance travelled, collected with Sofirow at two intensities of training. The boat acceleration-time traces were converted online into acoustic feedback and presented via speakers during rowing (sections with and without alternately). Repeated-measures within-participant factorial ANOVA showed greater boat speed with acoustic feedback than baseline (0.08 ± 0.01 m·s(-1)). The time structure of rowing cycles was improved (extended time of positive acceleration). Questioning of athletes showed acoustic feedback to be a supportive training aid as it provided important functional information about the boat motion independent of vision. It gave access for visually impaired athletes to biomechanical analysis via auditory information. The concept for adaptive athletes has been successfully integrated into the preparation for the Para-Rowing World Championships and Paralympics. PMID:25105858
Genetic evidence that the degradation of para-cresol by Geobacter metallireducens is catalyzed by the periplasmic para-cresol methylhydroxylase.
Chaurasia, Akhilesh Kumar; Tremblay, Pier-Luc; Holmes, Dawn E; Zhang, Tian
Two pathways for para-cresol (p-cresol) degradation by anaerobic bacteria have been elucidated; one involves fumarate addition at the methyl group of p-cresol by a hydroxylbenzylsuccinate synthase protein while the other utilizes a methylhydroxylase protein (PCMH) to catalyze hydroxylation of the methyl group of p-cresol. In Geobacter metallireducens, in vitro enzymatic assays showed that p-cresol is degraded via the methylhydroxylation pathway. However, prior to this study these results had not been confirmed by genetic analyses. In this work, the gene coding for benzylsuccinate-CoA dehydrogenase (bbsG), an enzyme required for toluene degradation by G. metallireducens that is homologous to the p-hydroxybenzylsuccinyl-CoA dehydrogenase involved in p-cresol degradation by Desulfobacula toluolica Tol2 via fumarate addition, and the gene encoding the alpha prime subunit of PCMH (pcmI), were deleted to investigate the possibility of co-existing p-cresol degradation pathways in G. metallireducens. The absence of a functional PcmI protein completely inhibited p-cresol degradation, while deletion of the bbsG gene had little impact. These results further support the observation that G. metallireducens utilizes a PCMH-initiated pathway for p-cresol degradation. PMID:26316547
Computational studies of the regioselectivities of COMT-catalyzed meta-/para-O methylations of luteolin and quercetin.
Cao, Yang; Chen, Zhong-Jian; Jiang, Hui-Di; Chen, Jian-Zhong
Catechol-O-methyltransferase (COMT, EC 22.214.171.124) plays a central role in the inactivation of neurotransmitters sharing a catecholic motif by transferring a methyl group from AdoMet. Methylation of the meta-hydroxyl is much more common than that of the para-hydroxyl in many COMT substrates, such as dopamine and norepinephrine. Our experimental data showed that quercetin preferred meta-methylation but luteolin favored a para-methylation. To elucidate the mechanism for different preferences of methylations of quercetin and luteolin, we performed a theoretical investigation on the different regioseletivities of COMT-catalyzed methylations for quercetin and luteolin by a combined approach of MD simulations, ab initio calculations, and QM/MM computations. The ab initio calculation results showed that both quercetin and luteolin have more negative charge distributions on the meta-O atom than the para-O atom, which indicated that meta-O preferred SN2 reaction for their methylation. Our QM/MM computations also confirmed that these two flavonoids have lower reaction energetic barriers for COMT-catalyzed meta-O-methylation than para-O-methylation. On the other hand, our binding free energy computation results indicated that quercetin has a more stable binding mode for meta-O-methylation than para-O-methylation but luteolin has a more stable binding mode for para-O-methylation than meta-O-methylation. We gave a comprehensive explanation considering both thermodynamics and reaction kinetics aspects and discussed the protein-inhibitor interactions as well as the O-methylation mechanism in our present work. PMID:24354565
Evolution of Antp-class genes and differential expression of Hydra Hox/paraHox genes in anterior patterning
Gauchat, Dominique; Mazet, Françoise; Berney, Cédric; Schummer, Michèl; Kreger, Sylvia; Pawlowski, Jan; Galliot, Brigitte
The conservation of developmental functions exerted by Antp-class homeoproteins in protostomes and deuterostomes suggested that homologs with related functions are present in diploblastic animals. Our phylogenetic analyses showed that Antp-class homeodomains belong either to non-Hox or to Hox/paraHox families. Among the 13 non-Hox families, 9 have diploblastic homologs, Msx, Emx, Barx, Evx, Tlx, NK-2, and Prh/Hex, Not, and Dlx, reported here. Among the Hox/paraHox, poriferan sequences were not found, and the cnidarian sequences formed at least five distinct cnox families. Two are significantly related to the paraHox Gsx (cnox-2) and the mox (cnox-5) sequences, whereas three display some relatedness to the Hox paralog groups 1 (cnox-1), 9/10 (cnox-3) and the paraHox cdx (cnox-4). Intermediate Hox/paraHox genes (PG 3 to 8 and lox) did not have clear cnidarian counterparts. In Hydra, cnox-1, cnox-2, and cnox-3 were not found chromosomally linked within a 150-kb range and displayed specific expression patterns in the adult head. During regeneration, cnox-1 was expressed as an early gene whatever the polarity, whereas cnox-2 was up-regulated later during head but not foot regeneration. Finally, cnox-3 expression was reestablished in the adult head once it was fully formed. These results suggest that the Hydra genes related to anterior Hox/paraHox genes are involved at different stages of apical differentiation. However, the positional information defining the oral/aboral axis in Hydra cannot be correlated strictly to that characterizing the anterior–posterior axis in vertebrates or arthropods. PMID:10781050
Uma grade de perfis teóricos para estrelas massivas em transição
NASA Astrophysics Data System (ADS)
Nascimento, C. M. P.; Machado, M. A.
Na XXVIII Reunião Anual da Sociedade Astronômica Brasileira (2002) apresentamos uma grade de perfis calculados de acordo com os pontos da trajetória evolutiva de metalicidade solar, Z = 0.02 e taxa de perda de massa () padrão, para estrelas com massa inicial de 25, 40, 60, 85 e 120 massas solares. Estes perfis foram calculados com o auxílio de um código numérico adequado para descrever os ventos de objetos massivos, supondo simetria esférica, estacionaridade e homogeneidade. No presente trabalho, apresentamos a complementação da grade com os perfis teóricos relativos às trajetórias de Z = 0.02 com taxa de perda de massa dobrada em relação a padrão (2´), e de metalicidade Z = 0.008. Para cada ponto das três trajetórias obtemos os perfis teóricos de Ha, Hb, Hg e Hd, e como esperado eles se apresentam em pura emissão, pura absorção ou em P-Cygni. Para valores de taxa de perda de massa muito baixos (~10-7) não há formação de linhas, o que é visto nos primeiros pontos em todas as trajetórias. Em geral, para um mesmo ponto a componente de emissão diminui e a absorção aumenta de Ha para Hd. É verificado que as trajetórias com Z = 0.02 e padrão possuem menos circuitos (loops) do que as com metalicidade Z = 0.02 e 2´ padrão, e seus perfis são, em geral, menos intensos. Em relação a trajetória de Z = 0.008, verifica-se menos circuitos e maior variação em luminosidade, e seus perfis mostram-se em, algumas trajetórias, mais intensos. Verificamos também que, pontos distintos em uma mesma trajetória, apresentam perfis diferentes para valores similares de luminosidade e temperatura efetiva. Sendo assim, uma grade de perfis teóricos parece ser útil para fornecer uma informação preliminar sobre o estágio evolutivo de uma estrela massiva.
Evaluation of para-dichlorobenzene emissions from solid moth repellant as a source of indoor air pollution
Chang, J.C.S.; Krebs, K.A.
The paper reports results of dynamic and static chamber tests to evaluate para-dichlorobenzene emission rates from mothcakes. The data were analyzed by a model that assumes that the emission rate is controlled by gas-phase mass transfer. Results indicate that the para-dichlorobenzene emission from mothcakes is a temperature-sensitive sublimation process. Full-scale house tests were also conducted to measure mass transfer coefficients based on the model developed. The values of the mass transfer coefficient obtained are very comparable to those estimated by theoretical heat transfer studies.
Practical in-situ determination of ortho-para hydrogen ratios via fiber-optic based Raman spectroscopy
Sutherland, Liese -Marie; Knudson, James N.; Mocko, Michal; Renneke, Richard M.
An experiment was designed and developed to prototype a fiber-optic-based laser system, which measures the ratio of ortho-hydrogen to para-hydrogen in an operating neutron moderator system at the Los Alamos Neutron Science Center (LANSCE) spallation neutron source. Preliminary measurements resulted in an ortho to para ratio of 3.06:1, which is within acceptable agreement with the previously published ratio. As a result, the successful demonstration of Raman Spectroscopy for this measurement is expected to lead to a practical method that can be applied for similar in-situ measurements at operating neutron spallation sources.
Experimental verification of equilibrium para-hydrogen levels in hydrogen moderators irradiated by spallation neutrons at J-PARC
NASA Astrophysics Data System (ADS)
Teshigawara, M.; Harada, M.; Tatsumoto, H.; Aso, T.; Ohtsu, K.; Takada, H.; Futakawa, M.; Ikeda, Y.
By sampling gaseous hydrogen from a circulating liquid hydrogen loop for Laser Raman spectroscopy, we measured the para-/ortho-hydrogen fractions in liquid hydrogen under neutron irradiation for the first time to identify whether irradiated hydrogen has an elevated ortho-hydrogen fraction. This measurement indicates that para-hydrogen equilibrium persists at 300 kW proton power in the presence of an iron(III) oxide hydroxide [Fe(OH)3] catalyst. The measurements will be repeated as the power at the Japan Proton Accelerator Research Complex (J-PARC) increases to the MW level.
Practical in-situ determination of ortho-para hydrogen ratios via fiber-optic based Raman spectroscopy
NASA Astrophysics Data System (ADS)
Sutherland, Liese-Marie; Knudson, James N.; Mocko, Michal; Renneke, Richard M.
An experiment was designed and developed to prototype a fiber-optic-based laser system, which measures the ratio of ortho-hydrogen to para-hydrogen in an operating neutron moderator system at the Los Alamos Neutron Science Center (LANSCE) spallation neutron source. Preliminary measurements resulted in an ortho to para ratio of 3.06:1, which is within acceptable agreement with the previously published ratio. The successful demonstration of Raman Spectroscopy for this measurement is expected to lead to a practical method that can be applied for similar in-situ measurements at operating neutron spallation sources.
Metabolism of Doubly para-Substituted Hydroxychlorobiphenyls by Bacterial Biphenyl Dioxygenases
Pham, Thi Thanh My; Sondossi, Mohammad
In this work, we examined the profile of metabolites produced from the doubly para-substituted biphenyl analogs 4,4′-dihydroxybiphenyl, 4-hydroxy-4′-chlorobiphenyl, 3-hydroxy-4,4′-dichlorobiphenyl, and 3,3′-dihydroxy-4,4′-chlorobiphenyl by biphenyl-induced Pandoraea pnomenusa B356 and by its biphenyl dioxygenase (BPDO). 4-Hydroxy-4′-chlorobiphenyl was hydroxylated principally through a 2,3-dioxygenation of the hydroxylated ring to generate 2,3-dihydro-2,3,4-trihydroxy-4′-chlorobiphenyl and 3,4-dihydroxy-4′-chlorobiphenyl after the removal of water. The former was further oxidized by the biphenyl dioxygenase to produce ultimately 3,4,5-trihydroxy-4′-chlorobiphenyl, a dead-end metabolite. 3-Hydroxy-4,4′-dichlorobiphenyl was oxygenated on both rings. Hydroxylation of the nonhydroxylated ring generated 2,3,3′-trihydroxy-4′-chlorobiphenyl with concomitant dechlorination, and 2,3,3′-trihydroxy-4′-chlorobiphenyl was ultimately metabolized to 2-hydroxy-4-chlorobenzoate, but hydroxylation of the hydroxylated ring generated dead-end metabolites. 3,3′-Dihydroxy-4,4′-dichlorobiphenyl was principally metabolized through a 2,3-dioxygenation to generate 2,3-dihydro-2,3,3′-trihydroxy-4,4′-dichlorobiphenyl, which was ultimately converted to 3-hydroxy-4-chlorobenzoate. Similar metabolites were produced when the biphenyl dioxygenase of Burkholderia xenovorans LB400 was used to catalyze the reactions, except that for the three substrates used, the BPDO of LB400 was less efficient than that of B356, and unlike that of B356, it was unable to further oxidize the initial reaction products. Together the data show that BPDO oxidation of doubly para-substituted hydroxychlorobiphenyls may generate nonnegligible amounts of dead-end metabolites. Therefore, biphenyl dioxygenase could produce metabolites other than those expected, corresponding to dihydrodihydroxy metabolites from initial doubly para-substituted substrates. This finding shows that a clear
Metabolism of Doubly para-Substituted Hydroxychlorobiphenyls by Bacterial Biphenyl Dioxygenases.
Pham, Thi Thanh My; Sondossi, Mohammad; Sylvestre, Michel
In this work, we examined the profile of metabolites produced from the doubly para-substituted biphenyl analogs 4,4'-dihydroxybiphenyl, 4-hydroxy-4'-chlorobiphenyl, 3-hydroxy-4,4'-dichlorobiphenyl, and 3,3'-dihydroxy-4,4'-chlorobiphenyl by biphenyl-induced Pandoraea pnomenusa B356 and by its biphenyl dioxygenase (BPDO). 4-Hydroxy-4'-chlorobiphenyl was hydroxylated principally through a 2,3-dioxygenation of the hydroxylated ring to generate 2,3-dihydro-2,3,4-trihydroxy-4'-chlorobiphenyl and 3,4-dihydroxy-4'-chlorobiphenyl after the removal of water. The former was further oxidized by the biphenyl dioxygenase to produce ultimately 3,4,5-trihydroxy-4'-chlorobiphenyl, a dead-end metabolite. 3-Hydroxy-4,4'-dichlorobiphenyl was oxygenated on both rings. Hydroxylation of the nonhydroxylated ring generated 2,3,3'-trihydroxy-4'-chlorobiphenyl with concomitant dechlorination, and 2,3,3'-trihydroxy-4'-chlorobiphenyl was ultimately metabolized to 2-hydroxy-4-chlorobenzoate, but hydroxylation of the hydroxylated ring generated dead-end metabolites. 3,3'-Dihydroxy-4,4'-dichlorobiphenyl was principally metabolized through a 2,3-dioxygenation to generate 2,3-dihydro-2,3,3'-trihydroxy-4,4'-dichlorobiphenyl, which was ultimately converted to 3-hydroxy-4-chlorobenzoate. Similar metabolites were produced when the biphenyl dioxygenase of Burkholderia xenovorans LB400 was used to catalyze the reactions, except that for the three substrates used, the BPDO of LB400 was less efficient than that of B356, and unlike that of B356, it was unable to further oxidize the initial reaction products. Together the data show that BPDO oxidation of doubly para-substituted hydroxychlorobiphenyls may generate nonnegligible amounts of dead-end metabolites. Therefore, biphenyl dioxygenase could produce metabolites other than those expected, corresponding to dihydrodihydroxy metabolites from initial doubly para-substituted substrates. This finding shows that a clear picture of the fate of polychlorinated
Shinnaka, Yoshiharu; Kawakita, Hideyo; Kobayashi, Hitomi; Boice, Daniel C.; Martinez, Susan E.
The ortho-to-para abundance ratio (OPR) of cometary molecules is considered to be one of the primordial characteristics of cometary ices, and contains information concerning their formation. Water is the most abundant species in cometary ices, and OPRs of water in comets have been determined from infrared spectroscopic observations of H{sub 2}O rovibrational transitions so far. In this paper, we present a new method to derive OPR of water in comets from the high-dispersion spectrum of the rovibronic emission of H{sub 2}O{sup +} in the optical wavelength region. The rovibronic emission lines of H{sub 2}O{sup +} are sometimes contaminated by other molecular emission lines but they are not affected seriously by telluric absorption compared with near-infrared observations. Since H{sub 2}O{sup +} ions are mainly produced from H{sub 2}O by photoionization in the coma, the OPR of H{sub 2}O{sup +} is considered to be equal to that of water based on the nuclear spin conservation through the reaction. We have developed a fluorescence excitation model of H{sub 2}O{sup +} and applied it to the spectrum of comet C/2001 Q4 (NEAT). The derived OPR of water is 2.54{sup +0.32}{sub -0.25}, which corresponds to a nuclear spin temperature (T{sub spin}) of 30{sup +10}{sub -4} K. This is consistent with the previous value determined in the near-infrared for the same comet (OPR = 2.6 {+-} 0.3, T{sub spin} = 31{sup +11}{sub -5} K).
Statistical ortho-to-para ratio of water desorbed from ice at 10 kelvin
NASA Astrophysics Data System (ADS)
Hama, Tetsuya; Kouchi, Akira; Watanabe, Naoki
The anomalously low ortho-to-para ratios (OPRs) exhibited by gaseous water in space have been used to determine the formation temperature (<50 kelvin) of ice on cold interstellar dust. This approach assumes that the OPR of water desorbed from ice is related to the ice formation temperature on the dust. However, we report that water desorbed from ice at 10 kelvin shows a statistical high-temperature OPR of 3, even when the ice is produced in situ by hydrogenation of O2, a known formation process of interstellar water. This invalidates the assumed relation between OPR and temperature. The necessary reinterpretation of the low OPRs will help elucidate the chemical history of interstellar water from molecular clouds and processes in the early solar system, including comet formation.
Parallel Grand Canonical Monte Carlo (ParaGrandMC) Simulation Code
NASA Technical Reports Server (NTRS)
Yamakov, Vesselin I.
This report provides an overview of the Parallel Grand Canonical Monte Carlo (ParaGrandMC) simulation code. This is a highly scalable parallel FORTRAN code for simulating the thermodynamic evolution of metal alloy systems at the atomic level, and predicting the thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces.
Searching for Auxetics with DYNA3D and ParaDyn
Hoover, W G; Hoover, C G
We sought to simulate auxetic behavior by carrying out dynamic analyses of mesoscopic model structures. We began by generating nearly periodic cellular structures. Four-node 'Shell' elements and eight-node 'Brick' elements are the basic building blocks for each cell. The shells and bricks obey standard elastic-plastic continuum mechanics. The dynamical response of the structures was next determined for a three-stage loading process: (1) homogeneous compression; (2) viscous relaxation; (3) uniaxial compression. The simulations were carried out with both serial and parallel computer codes--DYNA3D and ParaDyn--which describe the deformation of the shells and bricks with a robust contact algorithm. We summarize the results found here.
Theoretical and Experimental Studies on the Nonlinear Optical Chromophore para Bromoacetanilide
NASA Astrophysics Data System (ADS)
Jothy, V. Bena; Vijayakumar, T.; Jayakumar, V. S.; Udayalekshmi, K.; Ramamurthy, K.; Joe, I. Hubert
Vibrational spectral analysis of the hydrogen bonded non-linear optical (NLO) material para Bromo Acetanilide (PBA) is carried out using NIR FT-Raman and FT-IR spectroscopy. Ab initio molecular orbital computations have been performed at HF/6-31G(d) level to derive equilibrium geometry, vibrational wavenumbers, intensities and first hyperpolarizability. The lowering of the imino stretching wavenumbers suggests the existence of strong intermolecular N-H⋯O hydrogen bonding substantiated by the natural bond orbital (NBO) analysis. Blue shifting CH stretching wavenumbers, simultaneous activation of carbonyl stretching mode and the strong activation of low wavenumber H-bond stretching vibrations shows the presence of intramolecular charge transfer in the molecule.
Surface treatment of para-aramid fiber by argon dielectric barrier discharge plasma at atmospheric pressure
NASA Astrophysics Data System (ADS)
Gu, Ruxi; Yu, Junrong; Hu, Chengcheng; Chen, Lei; Zhu, Jing; Hu, Zuming
This paper is focused on influence of argon dielectric barrier discharge (DBD) plasma on the adhesive performance and wettability of para-aramid fibers and three parameters including treated power, exposure time and argon flux were detected. The interfacial shear strength (IFSS) was greatly increased by 28% with 300 W, 60 s, 2 L min-1 argon flux plasma treatment. The content of oxygen atom and oxygen-containing polar functional groups were enhanced after the argon plasma treated, so as the surface roughness, which contributed to the improvement of surface wettability and the decrease of contact angle with water. However, long-time exposure, exorbitant power or overlarge argon flux could partly destroy the prior effects of the treatment and damage the mechanical properties of fibers to some degree.
Food for Life / Comida para la Vida: creating a food festival to raise diabetes awareness.
Lancaster, Kristie; Walker, Willie; Vance, Thomas; Kaskel, Phyllis; Arniella, Guedy; Horowitz, Carol
African and Latino Americans have higher rates of diabetes and its complications than White Americans. Identifying people with undiagnosed diabetes and helping them obtain care can help to prevent complications and mortality. To kick off a screening initiative, our community-academic partnership created the "Food for Life Festival," or "Festival Comida para la Vida." This article will describe the community's perspective on the Festival, which was designed to screen residents, and demonstrate that eating healthy can be fun, tasty, and affordable in a community-centered, culturally consonant setting. More than 1,000 residents attended the event; 382 adults were screened for diabetes, and 181 scored as high risk. Fifteen restaurants distributed free samples of healthy versions of their popular dishes. Community residents, restaurateurs, and clinicians commented that the event transformed many of their preconceived ideas about healthy foods and patient care. PMID:20097997
Analysis of the thermal reaction products of para polyphenylene by combined gas chromatography-mass spectrometry
NASA Technical Reports Server (NTRS)
Fewell, L. L.
Analysis of the volatiles and sublimate produced when para-polyphenylene is pyrolyzed to constant weight under vacuum in the temperature range from 380 to 1000 C indicates that the polymer undergoes thermal degradation in two stages. The first stage involved dehydrohalogenation, which is essentially a curing reaction that produces crosslinking between polyphenylene chains resulting from the loss of chlorine from the polymer in the form of hydrogen chloride. The second stage of the thermal degradation is dehydrogenation because hydrogen is the major volatile species. Increasing amounts of polycyclic aromatic hydrocarbons (phenanthrene and 9, 10 benzphenanthrene) in the sublimate, concomitant with increasing C/H ratios of the polymeric residue with pyrolysis temperature, is consistent with the buildup of polynuclear structures in the polymer matrix.
Study and manufacture of a para-/ortho-hydrogen catalytic converter for a space cryostat
NASA Astrophysics Data System (ADS)
Baston, A. H.; Bradshaw, T. W.; Butler, G.; Clark, N. S.; Chadwick, A. T.; Harris, D. H. C.; Leach, F.; Norris, J. O. W.; Price, D.
The design and optimization of a para-/ortho-hydrogen converter to increase the efficiency and lifetime of the hydrogen cryogenic system of the ISO project are described. Catalyst technology and associated heat transfer technology is evaluated. Four catalyst systems were characterized. Their catalytic activity under the orbital conditions anticipated for the three radiation shields of ISO are reported. Results from experiments on in situ deactivation and reactivation are given, indicating that this is a key parameter. Iron oxide gel is the most promising catalyst system. A full scale prototype converter was designed to ESTEC specifications, and three converters were manufactured and tested. Performance, except for two small details, meets or exceeds specification. Plans for the development and testing of flight unit converters are proposed.
Beard dermatitis due to para-phenylenediamine use in Arabic men.
Hsu, T S; Davis, M D; el-Azhary, R; Corbett, J F; Gibson, L E
The most common active ingredient in hair coloring is para-phenylenediamine (PPDA), which can produce contact dermatitis, particularly in persons who dye their scalp hair and in hairdressers. We have identified another group of patients also at risk, namely men from Arab countries, who commonly grow beards and dye them. We searched the computerized patient database at the Mayo Clinic for patients with beard dermatitis associated with dye use. Eight Arabic men presented to the Mayo Clinic between 1994 and 1999 with beard dermatitis and a positive patch test to PPDA. The lesions were described as pruritic, erythematous, papular eruptions that developed in the jaw area after each application of beard dye. The symptoms subsided after the patients discontinued use of the PPDA-containing dye and received treatment with topical corticosteroids. Allergic contact dermatitis in the beard area due to PPDA occurs in Arabic men as a result of their propensity to dye their beards. PMID:11312440
Perspectivas Futuras para o Observatório do Pico dos Dias
NASA Astrophysics Data System (ADS)
Bruch, Albert
Com o Observatório Gemini plenamente operacional e o telescópio SOAR iniciando suas operações em breve, a astronomia observacional brasileira encontra-se no auge de uma transformação profunda que terá um impacto grave no Observatório do Pico dos Dias - OPD. Refletimos aqui sobre a natureza desse impacto e estratégias para manter a competitividade do OPD. Não queremos apresentar receitas prontas, mas idéias que poderão servir como base de discussão sobre o uso inteligente dos telescópios do OPD como parte do conjunto de instrumentos disponíveis à comunidade astronômica brasileira.
Applicability of the ParaDNA(®) Screening System to Seminal Samples.
Tribble, Nicholas D; Miller, Jamie A D; Dawnay, Nick; Duxbury, Nicola J
Seminal fluid represents a common biological material recovered from sexual assault crime scenes. Such samples can be prescreened using different techniques to determine cell type and relative amount before submitting for full STR profiling. The ParaDNA(®) Screening System is a novel forensic test which identifies the presence of DNA through amplification and detection of two common STR loci (D16S539 and TH01) and the Amelogenin marker. The detection of the Y allele in samples could provide a useful tool in the triage and submission of sexual assault samples by enforcement authorities. Male template material was detected on a range of common sexual assault evidence items including cotton pillow cases, condoms, swab heads and glass surfaces and shows a detection limit of 1 in 1000 dilution of neat semen. These data indicate this technology has the potential to be a useful tool for the detection of male donor DNA in sexual assault casework. PMID:25739746
Transient effects and pump depletion in stimulated Raman scattering. [Para-hydrogen
Carlsten, J.L.; Wenzel, R.G.; Druehl, K.
Stimulated rotational Raman scattering in a 300-K multipass cell filled with para-H/sub 2/ with a single-mode CO/sub 2/-pumped laser is studied using a frequency-narrowed optical parametric oscillator (OPO) as a probe laser at the Stokes frequency for the S/sub 0/(O) transition. Amplification and pump depletion are examined as a function of incident pump energy. The pump depletion shows clear evidence of transient behavior. A theoretical treatment of transient stimulated Raman scattering, including effects of both pump depletion and medium saturation is presented. In a first approximation, diffraction effects are neglected, and only plane-wave interactions are considered. The theoretical results are compared to the experimental pulse shapes.
A Very Rare Cause of a Relapsing Para-Oesophageal Abscess
Wespi, Simon Peter; Frei, Remus; Sulz, Michael Christian
Oesophageal involvement in Crohn's disease (CD) is uncommon and most often accompanied by involvement of more distal parts. Its presentation is mostly non-specific, and therefore a diagnosis, especially in isolated oesophageal disease, is difficult. We present the case of a 42-year-old male patient who was referred to our gastroenterology department because of a para-oesophageal abscess. Under antibiotic treatment the abscess healed, but despite great diagnostic efforts, its aetiology remained unclear. Three years later the patient was hospitalized again because of an abscess at the same site. Endoscopy showed disseminated ulcerations of the lower oesophagus, raising suspicion of CD. After excluding other possible causes, we made the diagnosis of isolated CD of the oesophagus. We review the available literature on this topic and discuss the clinical presentation, symptoms, endoscopic findings, and histology as well as treatment of oesophageal CD. PMID:27403115
Proyecto para la medición sistemática de seeing en CASLEO
NASA Astrophysics Data System (ADS)
Fernández Lajus, E.; Forte, J. C.
La calidad del seeing astronómico es ciertamente uno de los parámetros mas importantes que caracterizan el sitio de un observatorio. Por tanto se desea determinar si el alto valor de seeing observado con el telescopio de 2.15 m se debe a efectos internos y/o del entorno a la cupula o si se debe simplemente al seeing propio del lugar. El actual mecanismo de refrigeración del espejo primario del 2.15, parece haber mejorado notablemente la calidad del seeing. Sin embargo se hace necesario saber hasta que punto el valor del seeing puede ser mejorado. La primera etapa del proyecto consistió en la puesta a punto del telescopio emplazado para este propósito y la adquisición de las primeras medidas tentativas de seeing.
Ortho/para ratio of H2O+ toward Sagittarius B2(M) revisited.
Schilke, Peter; Lis, Dariusz C; Bergin, Edwin A; Higgins, Ronan; Comito, Claudia
The HIFI instrument aboard the Herschel satellite has allowed the observation and characterization of light hydrides, the building blocks of interstellar chemistry. In this article, we revisit the ortho/para ratio for H2O(+) toward the Sgr B2(M) cloud core. The line of sight toward this star forming region passes through several spiral arms and the gas in the Bar potential in the inner Galaxy. In contrast to earlier findings, which used fewer lines to constrain the ratio, we find a ratio of 3, which is uniformly consistent with high-temperature formation of the species. In view of the reactivity of this ion, this matches the expectations. PMID:23713712
Conformational study of a single molecule of poly para phenylene ethynylenes in dilute solutions
NASA Astrophysics Data System (ADS)
Maskey, Sabina; Pierce, Flint; Perahia, Dvora; Grest, Gary S.
The conformation of single molecules of dialkyl poly para phenylene ethynylenes (PPEs), electro-active polymers, is studied in solutions using molecular dynamics simulations. The conformation of conjugated polymers affects their electro-optical properties and therefore is critical to their current and potential uses, though only limited theoretical knowledge is available regarding the factors that control their configuration. The present study investigates the affects of molecular parameters including molecular weight of the polymer and chemical structure of the side chains of PPEs in different solvents on the conformation of the polymers. The PPEs are modeled atomistically where the solvents are modeled both implicitly and explicitly. The study finds that PPEs assume extended configuration which is affected by the length of the polymer backbone and the nature and length of substituting side chains. While the polymer remains extended, local dynamics is retained and no long range correlations are observed within the backbone. The results are compared with scattering experiments.
Single strand dna breaks in human lymphocytes exposed to para-phenylenediamine and its derivatives.
Chye, Soi Mei; Hseu, You Cheng; Liang, Shih-Hsiung; Chen, Chin-Hui; Chen, Ssu Ching
Para-Phenylenediamine (PPD), the main aromatic amines used in the hair dye formation, and its four derivatives (2-chloro-p-phenylenediamine, 4-chloro-o-phenylenediamine, 2-nitro-p-phenylenediamine, and 4-nitro-o-phenylenediamine) were examined for their potential to produce single strand DNA breaks in human lymphocytes using the alkaline comet assay. Results revealed that all the tested chemicals within the range of doses from 100 microM to 500 microM showed the genotoxicity in a dose-dependent manner after the incubation of lymphocytes with these chemicals for 2 h. In this study, we first reported that PPD and its four derivatives can elicit the type of single strand breaks in human lymphocytes. PMID:18058049
Properties of single crystal para-terphenyl as medium for high resolution TOF detector
NASA Astrophysics Data System (ADS)
De Gerone, M.; Biasotti, M.; Ceriale, V.; Corsini, D.; Gatti, F.; Orlando, A.; Pizzigoni, G.
In the last years organic scintillators have been largely investigated in order to achieve high light yield together with good time response. Pure organic compound with high quality crystalline structure can achieve both this goals. Among a large type of organic compound, para-terphenyl (C18H14) have proven to have practical applications as detector medium for particle physics. In this work, the characterization of different sizes high quality mono-crystal p-terphenyl samples is presented. The optical and scintillation properties (emission spectrum, light yield, attenuation length, and decay time) are investigated. Coupling a Silicon PhotoMultiplier-based readout system to the crystal, a small prototype for a high resolution TOF detector was built; the preliminary results, obtained on a 20×30×3 mm3 sample, with dual-side read-out (Hamamatsu S10931-050P SiPMs) and irradiated with 90Sr source, show a time resolution of 35 ps.
Coordination nano-space as stage of hydrogen ortho–para conversion
Kosone, Takashi; Hori, Akihiro; Nishibori, Eiji; Kubota, Yoshiki; Mishima, Akio; Ohba, Masaaki; Tanaka, Hiroshi; Kato, Kenichi; Kim, Jungeun; Real, José Antonio; Kitagawa, Susumu; Takata, Masaki
The ability to design and control properties of nano-sized space in porous coordination polymers (PCPs) would provide us with an ideal stage for fascinating physical and chemical phenomena. We found an interconversion of nuclear-spin isomers for hydrogen molecule H2 adsorbed in a Hofmann-type PCP, {Fe(pz)[Pd(CN)4]} (pz=pyrazine), by the temperature dependence of Raman spectra. The ortho (o)–para (p) conversion process of H2 is forbidden for an isolated molecule. The charge density study using synchrotron radiation X-ray diffraction reveals the electric field generated in coordination nano-space. The present results corroborate similar findings observed on different systems and confirm that o–p conversion can occur on non-magnetic solids and that electric field can induce the catalytic hydrogen o–p conversion. PMID:26587262
Cholecystocutaneous fistula: an unusual complication of a para-umbilical hernia repair
Dixon, Steven; Sharma, Mitesh; Holtham, Stephen
This case describes a 94-year-old woman who presented 2 years postsutured para-umbilical hernia repair with a painful black lump protruding through her scar with blood stained discharge. This was initially thought to be either ischaemic bowel secondary to strangulated incisional hernia or a large organised haematoma. An urgent CT scan was performed following which the patient passed two large calculi and bile-stained fluid spontaneously through the wound, making the diagnosis somewhat clearer. The scan revealed an incisional hernia containing the gallbladder and two large calculi at the skin surface and an incidental large caecal cancer with surrounding lymphadenopathy. Frail health and the incidental finding of a colon cancer rendered invasive surgical management inappropriate. Therefore, she was managed conservatively with antibiotics. A catheter was inserted into the fistula tract to allow free drainage and alleviate pressure-related symptoms. The patient was discharged following a multidisciplinary team discussion. PMID:24862413
Development of a para-orthohydrogen catalytic converter for a solid hydrogen cooler
NASA Technical Reports Server (NTRS)
Nast, T. C.; Hsu, I. C.
Design features of a tested catalytic converter for altering vented cryogenic parahydrogen used as a coolant on spacecraft into a para-ortho equilibrium for channeling to other cooling functions are described. The hydrogen is expected to be stored in either liquid or solid form. A high surface area Ni-on-Si catalyst was selected for tests at an operating pressure of 2 torr at a ratio of 1000 gr catalyst for a gr/sec hydrogen flow. Cylindrical and radial flow geometries were tried and measurements centered on the converter efficiencies at different operating temperatures when the converter was placed in the vent line of the H2 cooler. Efficiencies ranging from 10-100 percent were obtained for varying flow rates. Further testing is necessary to characterize the converter performance under a wider range of operating temperatures and environments.
El Proyecto Sismico "LARSE" - Trabajando Hacia un Futuro con Mas Seguridad para Los Angeles
Henyey, Thomas L.; Fuis, Gary S.; Benthien, Mark L.; Burdette, Thomas R.; Christofferson, Shari A.; Clayton, Robert W.; Criley, Edward E.; Davis, Paul M.; Hendley, James W., II; Kohler, Monica D.; Lutter, William J.; McRaney, John K.; Murphy, Janice M.; Okaya, David A.; Ryberg, Trond; Simila, Gerald W.; Stauffer, Peter H.
La region de Los Angeles contiene una red de fallas activas, incluyendo muchas fallas por empuje que son profundas y no rompen la superficie de la tierra. Estas fallas ocultas incluyen la falla anteriormente desconocida que fue responsable por la devastacion que ocurrio durante el terremoto de Northridge en enero de 1994, el terremoto mas costoso en la historia de los Estados Unidos. El Experimento Sismico en la Region de Los Angeles (Los Angeles Region Seismic Experiment, LARSE), esta localizando los peligros ocultos de los terremotos debajo de la region de Los Angeles para mejorar la construccion de las estructuras que pueden apoyar terremotos que son inevitables en el futuro, y que ayudaran a los cientificos determinar donde occurira el sacudimento mas fuerte y poderoso.
Surface Temperature Dependence of Hydrogen Ortho-Para Conversion on Amorphous Solid Water
NASA Astrophysics Data System (ADS)
Ueta, Hirokazu; Watanabe, Naoki; Hama, Tetsuya; Kouchi, Akira
The surface temperature dependence of the ortho-to-para conversion of H2 on amorphous solid water is first reported. A combination of photostimulated desorption and resonance-enhanced multiphoton ionization techniques allowed us to sensitively probe the conversion on the surface of amorphous solid water at temperatures of 9.2-16 K. Within a narrow temperature window of 8 K, the conversion time steeply varied from ˜4.1 ×103 to ˜6.4 ×102 s . The observed temperature dependence is discussed in the context of previously suggested models and the energy dissipation process. The two-phonon process most likely dominates the conversion rate at low temperatures.
Surface Temperature Dependence of Hydrogen Ortho-Para Conversion on Amorphous Solid Water.
Ueta, Hirokazu; Watanabe, Naoki; Hama, Tetsuya; Kouchi, Akira
The surface temperature dependence of the ortho-to-para conversion of H_{2} on amorphous solid water is first reported. A combination of photostimulated desorption and resonance-enhanced multiphoton ionization techniques allowed us to sensitively probe the conversion on the surface of amorphous solid water at temperatures of 9.2-16 K. Within a narrow temperature window of 8 K, the conversion time steeply varied from ∼4.1×10^{3} to ∼6.4×10^{2} s. The observed temperature dependence is discussed in the context of previously suggested models and the energy dissipation process. The two-phonon process most likely dominates the conversion rate at low temperatures. PMID:27391719
ACT-asthma control y tratamiento para niños: a progress report.
Lewis, M A; de la Sota, A; Rachelefsky, G; Lewis, C E; Quinones, H; Richards, W
A randomized clinical trial is in progress to evaluate an asthma educational program for Latino children and their parents. The intervention, "ACT-Asma Control y Tratamiento Para Niños," was adapted from ACT for Kids, an asthma self-management program for English-speaking families. Results of a pilot study indicated that socioeconomic status was a critical variable to be considered in the design of such programs. Latino children and parents encounter significant barriers to access and continuity of medical care. Therefore, the intervention was redesigned to include "linkages" using a nurse to reduce barriers and to coordinate care. The lesson plans emphasize concrete, experimental learning experiences, with repetition of key points in each session. PMID:3654235
Coordination nano-space as stage of hydrogen ortho-para conversion.
Kosone, Takashi; Hori, Akihiro; Nishibori, Eiji; Kubota, Yoshiki; Mishima, Akio; Ohba, Masaaki; Tanaka, Hiroshi; Kato, Kenichi; Kim, Jungeun; Real, José Antonio; Kitagawa, Susumu; Takata, Masaki
The ability to design and control properties of nano-sized space in porous coordination polymers (PCPs) would provide us with an ideal stage for fascinating physical and chemical phenomena. We found an interconversion of nuclear-spin isomers for hydrogen molecule H2 adsorbed in a Hofmann-type PCP, {Fe(pz)[Pd(CN)4]} (pz=pyrazine), by the temperature dependence of Raman spectra. The ortho (o)-para (p) conversion process of H2 is forbidden for an isolated molecule. The charge density study using synchrotron radiation X-ray diffraction reveals the electric field generated in coordination nano-space. The present results corroborate similar findings observed on different systems and confirm that o-p conversion can occur on non-magnetic solids and that electric field can induce the catalytic hydrogen o-p conversion. PMID:26587262
Food for Life/Comida para la Vida: Creating a Food Festival to Raise Diabetes Awareness
Lancaster, Kristie; Walker, Willie; Vance, Thomas; Kaskel, Phyllis; Arniella, Guedy; Horowitz, Carol
African and Latino Americans have higher rates of diabetes and its complications than White Americans. Identifying people with undiagnosed diabetes and helping them obtain care can help to prevent complications and mortality. To kick off a screening initiative, our community-academic partnership created the "Food for Life Festival," or "Festival Comida para la Vida." This article will describe the community's perspective on the Festival, which was designed to screen residents, and demonstrate that eating healthy can be fun, tasty, and affordable in a community-centered, culturally consonant setting. More than 1,000 residents attended the event; 382 adults were screened for diabetes, and 181 scored as high risk. Fifteen restaurants distributed free samples of healthy versions of their popular dishes. Community residents, restaurateurs, and clinicians commented that the event transformed many of their preconceived ideas about healthy foods and patient care. PMID:20097997
A method to obtain a well-defined fraction of respirable para-aramid fibers.
Schins, R P; Gaudichet, A; Jaurand, M C
We developed a preparation method to obtain respirable-sized fractions of para-aramid fibers. The procedure, based on floatability, consists of stirring and subsequent settling of p-aramid pulp in distilled water. Two distinct phases are obtained, with small fibers in the upper part of the suspension, which represents about 33% of the total volume. Optimal results were obtained when 2.0 g pulp was stirred for 15 hr in 800 ml distilled water containing 0.125% ethanol and settled for 5 hr. The mass yield ranged between 0.4 and 0.6%, more than 90% of the particles had an aspect ratio > or = 3:1. The mean fiber length was about 6 microns, and the mean fiber diameter was about 0.4 microns as determined by transmission and scanning electron microscopy. The number of fibers obtained was 4 x 10(6) fibers/micrograms under our standard conditions. PMID:8119251
Constraining the ortho-to-para ratio of H2 with anomalous H_2CO absorption
NASA Astrophysics Data System (ADS)
Troscompt, N.; Faure, A.; Maret, S.; Ceccarelli, C.; Hily-Blant, P.; Wiesenfeld, L.
Context: The ortho-to-para ratio (OPR) of molecular hydrogen is a fundamental parameter in understanding the physics and chemistry of molecular clouds. In dark and cold regions, however, H2 is not directly observable and the OPR of H2 in these sources has so far remained elusive. Aims: We show that the 6 cm absorption line of ortho-formaldehyde (H2CO) can be employed to constrain both the density and the OPR of H2 in dark clouds. Methods: Green Bank Telescope (GBT) observations of ortho-H2CO toward the molecular cloud Barnard 68 (B68) are reported. Non-LTE radiative transfer calculations combined with the well-constrained structure of B68 are then employed to derive the physical conditions in the absorption region. Results: We provide the first firm confirmation of the Townes & Cheung mechanism: propensity rules for the collisions of H2CO with H2 molecules are responsible for the sub-2.7 K cooling of the 6 cm doublet. Non-LTE calculations show that in the absorption region of B68, the kinetic temperature is ˜ 10 K, the ortho-H2CO column density amounts to ˜ 2.2× 1013 cm-2, the H2 density is in the range 1.4{-}2.4× 10 4 cm-3, and the OPR of H2 is close to zero. Our observations thus provide fresh evidence that H2 is mostly in its para form in the cold gas, as expected from theoretical considerations. Our results also suggest that formaldehyde absorption originates in the edge of B68, at visual extinctions A_V⪉ 0.5 mag. This work has been inspired by our colleague and friend Pierre Valiron, who passed away in August 2008. This paper is dedicated to his memory.
Cost-effectiveness of para-aortic lymphadenectomy before chemoradiotherapy in locally advanced cervical cancer
Lee, Jung-Yun; Kim, Younhee; Lee, Tae-Jin; Jeon, Yong Woo; Kim, Kidong; Chung, Hyun Hoon; Park, Sang Min; Kim, Jae-Weon
Objective To evaluate the cost-effectiveness of nodal staging surgery before chemoradiotherapy (CRT) for locally advanced cervical cancer in the era of positron emission tomography/computed tomography (PET/CT). Methods A modified Markov model was constructed to evaluate the cost-effectiveness of para-aortic staging surgery before definite CRT when no uptake is recorded in the para-aortic lymph nodes (PALN) on PET/CT. Survival and complication rates were estimated based on the published literature. Cost data were obtained from the Korean Health Insurance Review and Assessment Service. Strategies were compared using an incremental cost-effectiveness ratio (ICER). Sensitivity analyses were performed, including estimates for the performance of PET/CT, postoperative complication rate, and varying survival rates according to the radiation field. Results We compared two strategies: strategy 1, pelvic CRT for all patients; and strategy 2, nodal staging surgery followed by extended-field CRT when PALN metastasis was found and pelvic CRT otherwise. The ICER for strategy 2 compared to strategy 1 was $19,505 per quality-adjusted life year (QALY). Under deterministic sensitivity analyses, the model was relatively sensitive to survival reduction in patients who undergo pelvic CRT alone despite having occult PALN metastasis. A probabilistic sensitivity analysis demonstrated the robustness of the case results, with a 91% probability of cost-effectiveness at the willingness-to-pay thresholds of $60,000/QALY. Conclusion Nodal staging surgery before definite CRT may be cost-effective when PET/CT imaging shows no evidence of PALN metastasis. Prospective trials are warranted to transfer these results to guidelines. PMID:25925292
The analysis of para-cresol production and tolerance in Clostridium difficile 027 and 012 strains
Background Clostridium difficile is the major cause of antibiotic associated diarrhoea and in recent years its increased prevalence has been linked to the emergence of hypervirulent clones such as the PCR-ribotype 027. Characteristically, C. difficile infection (CDI) occurs after treatment with broad-spectrum antibiotics, which disrupt the normal gut microflora and allow C. difficile to flourish. One of the relatively unique features of C. difficile is its ability to ferment tyrosine to para-cresol via the intermediate para-hydroxyphenylacetate (p-HPA). P-cresol is a phenolic compound with bacteriostatic properties which C. difficile can tolerate and may provide the organism with a competitive advantage over other gut microflora, enabling it to proliferate and cause CDI. It has been proposed that the hpdBCA operon, rarely found in other gut microflora, encodes the enzymes responsible for the conversion of p-HPA to p-cresol. Results We show that the PCR-ribotype 027 strain R20291 quantitatively produced more p-cresol in-vitro and was significantly more tolerant to p-cresol than the sequenced strain 630 (PCR-ribotype 012). Tyrosine conversion to p-HPA was only observed under certain conditions. We constructed gene inactivation mutants in the hpdBCA operon in strains R20291 and 630Δerm which curtails their ability to produce p-cresol, confirming the role of these genes in p-cresol production. The mutants were equally able to tolerate p-cresol compared to the respective parent strains, suggesting that tolerance to p-cresol is not linked to its production. Conclusions C. difficile converts tyrosine to p-cresol, utilising the hpdBCA operon in C. difficile strains 630 and R20291. The hypervirulent strain R20291 exhibits increased production of and tolerance to p-cresol, which may be a contributory factor to the virulence of this strain and other hypervirulent PCR-ribotype 027 strains. PMID:21527013
Self-assembled catalytic DNA nanostructures for synthesis of para-directed polyaniline.
Wang, Zhen-Gang; Zhan, Pengfei; Ding, Baoquan
Templated synthesis has been considered as an efficient approach to produce polyaniline (PANI) nanostructures. The features of DNA molecules enable a DNA template to be an intriguing template for fabrication of emeraldine PANI. In this work, we assembled HRP-mimicking DNAzyme with different artificial DNA nanostructures, aiming to manipulate the molecular structures and morphologies of PANI nanostructures through the controlled DNA self-assembly. UV-vis absorption spectra were used to investigate the molecular structures of PANI and monitor kinetic growth of PANI. It was found that PANI was well-doped at neutral pH and the redox behaviors of the resultant PANI were dependent on the charge density of the template, which was controlled by the template configurations. CD spectra indicated that the PANI threaded tightly around the helical DNA backbone, resulting in the right handedness of PANI. These reveal the formation of the emeraldine form of PANI that was doped by the DNA. The morphologies of the resultant PANI were studied by AFM and SEM. It was concluded from the imaging and spectroscopic kinetic results that PANI grew preferably from the DNAzyme sites and then expanded over the template to form 1D PANI nanostructures. The strategy of the DNAzyme-DNA template assembly brings several advantages in the synthesis of para-coupling PANI, including the region-selective growth of PANI, facilitating the formation of a para-coupling structure and facile regulation. We believe this study contributes significantly to the fabrication of doped PANI nanopatterns with controlled complexity, and the development of DNA nanotechnology. PMID:23272944
On Ensino de Astronomia: Desafios para Implantação
NASA Astrophysics Data System (ADS)
Faria, R. Z.; Voelzke, M. R.
Em 2002 o ensino de Astronomia foi proposto como um dos temas estruturadores pelos Parâmetros Curriculares Nacionais e sugerido como facilitador para que o aluno compreendesse a Física como construção humana e parte do seu mundo vivencial, mas raramente seus conceitos foram ensinados. A presente pesquisa discute dois aspectos relacionados à abordagem de Astronomia. O primeiro aspecto é se ela está sendo abordada pelos professores do Ensino Médio e o segundo, aborda a maneira como ela está sendo ensinada. Optou-se pela aplicação de um questionário a partir do 2° semestre de 2006 e durante o ano de 2007 com professores que ministram a disciplina de Física, os quais trabalham em escolas estaduais em Rio Grande da Serra, Ribeirão Pires e Mauá no estado São Paulo. Dos 66,2% dos professores que responderam ao questionário nos municípios de Rio Grande da Serra, Ribeirão Pires e Mauá, 57,4% não aplicaram nenhum tópico de astronomia, 70,2% não utilizaram laboratório, 89,4% não utilizaram qualquer tipo de programa computacional, 83,0% nunca fizeram visitas com alunos a museus e planetários e 38,3% não indicaram qualquer tipo de livro ou revista referente à astronomia aos seus alunos. Mesmo considerando a Astronomia um conteúdo potencialmente significativo, esta não fez parte dos planejamentos escolares. Portanto são necessárias propostas que visem estratégias para a educação continuada dos professores como, por exemplo, cursos específicos sobre o ensino em Astronomia.
Controlling electronic product branching at conical intersections in the UV photolysis of para-substituted thiophenols.
Oliver, Thomas A A; King, Graeme A; Tew, David P; Dixon, Richard N; Ashfold, Michael N R
H (Rydberg) atom photofragment translation spectroscopy and high-level ab initio electronic structure calculations are used to explore the photodissociation dynamics of three para-substituted thiophenols (p-YPhSH; Y = CH(3), F, and MeO). UV excitation in the wavelength range 305 > λ(phot) > 240 nm results in S-H bond fission and formation of p-YPhS radicals in their ground (X̃(2)B(1)) and first excited (Ã(2)B(2)) electronic states; the X̃/Ã state product branching ratio, Γ, varies with para-Y substituent and excitation wavelength. Excitation at λ(phot) < 265 nm results in direct population of the dissociative 1(1)πσ* potential energy surface (PES). Γ falls across the series p-CH(3)PhSH > p-FPhSH > p-MeOPhSH. Branching is ultimately determined at the conical intersection (CI) formed by the 1(1)πσ* and ground (S(0)) PESs at extended R(S-H) bond length but is sensitively dependent on the orientation of the S-H bond (relative to the ring plane) in the S(0) molecules prior to photoexcitation. Excitation at λ(phot) > 265 nm populates quasi-bound levels of the respective 1(1)ππ* states, which predissociate rapidly by tunneling under the lower diabats of the 1(1)ππ*/1(1)πσ* CI at short R(S-H). Less extreme X̃/Ã product branching ratios are measured, implicating intramolecular vibrational redistribution within the photoexcited 1(1)ππ* molecules prior to their sampling the region of the 1(1)πσ*/S(0) CI. PMID:23110379
Prevalence of oral trauma in Para-Pan American Games athletes.
Andrade, Rafaela Amarante; Modesto, Adriana; Evans, Patricia Louise Scabell; Almeida, Anne Louise Scabell; da Silva, Juliana de Jesus Rodrigues; Guedes, Aurelino Machado Lima; Guedes, Fábio Ribeiro; Ranalli, Dennis N; Tinoco, Eduardo Muniz Barretto
The aim of this cross-sectional epidemiological survey was to assess the prevalence of oral trauma in athletes representing 25 countries competing at the most recent Para-Pan American Games (III PARAPAN) held in Rio de Janeiro, Brazil. The study was approved by the appropriate institutional review board. The examiners participated in standardization and calibration training sessions before the field phase began. Invitations were sent to >1200 participating athletes competing in eight sports and to the Medical Committee of the Para-Pan American Sports Organization before and during the III PARAPAN. A convenience sample of 120 athletes was recruited. After signing an informed consent, all athletes answered a questionnaire. Data were collected at the clinical examination and recorded in a specific trauma form. The mean age of the athletes was 32.5 years. Males comprised 79.2% of the sample; females 20.8%. The prevalence of oral trauma among the athletes was 47.5% (N = 57). However, only 15 athletes reported that these traumatic injuries were sports-related. The sport with the highest prevalence of oral trauma was judo (75%); the least was volleyball with no reported traumatic injuries. The most common traumatic injury was enamel fracture (27.4%). The teeth most affected were the maxillary permanent central incisors (N = 19), followed by the maxillary premolars (N = 8). On the basis of the results of this study of oral trauma among athletes examined at the III PARAPAN, a recommendation for enhanced educational efforts and the use of properly fitted mouthguards to prevent traumatic injuries among high-performance athletes with disabilities seems warranted. PMID:22882839
Uso de exámenes de detección como oportunidad para ayudar a fumadores a dejar el tabaco
El NCI ha publicado un anuncio de financiamiento para ayudar a estimular la investigación sobre métodos óptimos para dejar de fumar cigarrillos que se entreguen junto con los exámenes de detección.
Enfermedad trofoblástica de la gestación—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento de la enfermedad trofoblástica de la gestación, así como referencias a estudios clínicos y otros temas relacionados.
Pruebas sin beneficio comprobado se usan aún para viiglar cáncer de ovario
Artículo del blog Temas y Relatos del NCI sobre un estudio que indica que los medicos clínicos siguen usando análisis de CA-125 y exploraciones con TC para vigilar de rutina las recurrencias aunque no se ha comprobado el beneficio de estas pruebas.
ParaStream: A parallel streaming Delaunay triangulation algorithm for LiDAR points on multicore architectures
NASA Astrophysics Data System (ADS)
Wu, Huayi; Guan, Xuefeng; Gong, Jianya
This paper presents a robust parallel Delaunay triangulation algorithm called ParaStream for processing billions of points from nonoverlapped block LiDAR files. The algorithm targets ubiquitous multicore architectures. ParaStream integrates streaming computation with a traditional divide-and-conquer scheme, in which additional erase steps are implemented to reduce the runtime memory footprint. Furthermore, a kd-tree-based dynamic schedule strategy is also proposed to distribute triangulation and merging work onto the processor cores for improved load balance. ParaStream exploits most of the computing power of multicore platforms through parallel computing, demonstrating qualities of high data throughput as well as a low memory footprint. Experiments on a 2-Way-Quad-Core Intel Xeon platform show that ParaStream can triangulate approximately one billion LiDAR points (16.4 GB) in about 16 min with only 600 MB physical memory. The total speedup (including I/O time) is about 6.62 with 8 concurrent threads.
Factor Analysis of the Spanish Version of the WAIS: The Escala de Inteligencia Wechsler para Adultos (EIWA).
ERIC Educational Resources Information Center
Gomez, Francisco C., Jr.; And Others
The standardization of the Escala de Inteligencia Wechsler para Adultos (EIWA) and the original Wechsler Adult Intelligence Scale (WAIS) were subjected to principal components analysis to examine their comparability for 616 EIWA subjects and 800 WAIS subjects. Similarity of factor structures of both scales is supported. (SLD)
The Role Of Women In Popular Education In Bolivia: A Case Study Of The "Oficina Juridica Para La Mujer"
ERIC Educational Resources Information Center
Kollins, Judith M.; Hansman, Catherine A.
This study examines how the Education Office of the "Oficina Juridica Para la Mujer" [Women's Legal Office] , a community-based popular education organization in Cochabamba, Bolivia, works with women to address personal, legal, and policy issues through local leadership training and popular education methodology. We investigate the marginalization…
Two experiments were performed to determine the rate of vitellogenin plasma accumulation and clearance in male sheepshead minnows (Cyprinodon variegatus) during and after exposure to either 17b-estradiol (E2) or para-nonylphenol (p-NP). Adult fish were continuously exposed to aqu...
A Conceptual Model for Supporting Para-Teacher Learning in an Indian Non-Governmental Organization (NGO)
ERIC Educational Resources Information Center
Raval, Harini; McKenney, Susan; Pieters, Jules
Non-governmental organizations (NGOs) are being recognized globally for their influential role in realizing the UN Millennium Development Goal of education for all in developing countries. NGOs mostly employ untrained para-educators for grassroots activities. The professional development of these teachers is critical for NGO effectiveness, yet…
Familiares a cargo de pacientes de cáncer (PDQ®)—Versión para pacientes
Sumario informativo revisado por expertos acerca de los desafíos que enfrentan los familiares a cargo de los pacientes con cáncer. Este resumen se centra en las funciones típicas y las inquietudes de las personas a cargo del paciente y en las intervenciones útiles para esas personas.
Cáncer de piel (incluye el melanoma)—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento, la prevención, las causas y los exámenes de detección del cáncer de piel, así como referencias a estudios clínicos, investigación y otros temas.
Cáncer de vesícula biliar—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del cáncer de vesícula biliar, así como referencias a estudios clínicos, investigación y otros temas relacionados con este tipo de cáncer.
Cáncer de hígado y de conducto biliar—Versión para profesionales de salud
Información del NCI para profesionales de salud sobre el tratamiento, la prevención y los exámenes de detección del cáncer de hígado y de conducto biliar, así como referencias a estudios clínicos, investigación y otros temas.
Intensity-Modulated Radiation Therapy for the Treatment of Squamous Cell Anal Cancer With Para-aortic Nodal Involvement
Hodges, Joseph C.; Das, Prajnan; Eng, Cathy; Reish, Andrew G.; Beddar, A. Sam; Delclos, Marc E.; Krishnan, Sunil; Crane, Christopher H.
Purpose: To determine the rates of toxicity, locoregional control, distant control, and survival in anal cancer patients with para-aortic nodal involvement, treated with intensity-modulated radiotherapy (IMRT) and concurrent chemotherapy at a single institution. Methods and Materials: Between 2001 and 2007, 6 patients with squamous cell anal cancer and para-aortic nodal involvement were treated with IMRT and concurrent infusional 5-fluorouracil and cisplatin. The primary tumor was treated with a median dose of 57.5 Gy (range, 54-60 Gy), involved para-aortic, pelvic, and inguinal lymph nodes were treated with a median dose of 55 Gy (range, 50.5-55 Gy), and noninvolved nodal regions were treated with a median dose of 45 Gy (range, 43.5-45 Gy). Results: After a median follow-up of 25 months, none of the patients had a recurrence at the primary tumor, pelvic/inguinal nodes, or para-aortic nodes, whereas 2 patients developed distant metastases to the liver. Four of the 6 patients are alive. The 3-year actuarial locoregional control, distant control, and overall survival rates were 100%, 56%, and 63%, respectively. Four of the 6 patients developed Grade 3 acute gastrointestinal toxicity during chemoradiation. Conclusions: Intensity-modulated radiotherapy and concurrent chemotherapy could potentially serve as definitive therapy in anal cancer patients with para-aortic nodal involvement. Adjuvant chemotherapy may be indicated in these patients, as demonstrated by the distant failure rates. These patients need to be followed carefully because of the potential for treatment-related toxicities.
Long-term results of para-aortic irradiation for patients with stage I seminoma of the testis
Niazi, Tamim M.; Souhami, Luis . E-mail: firstname.lastname@example.com; Sultanem, Khalil; Duclos, Marie; Shenouda, George; Freeman, Carolyn
Purpose: Adjuvant postoperative para-aortic lymph nodal irradiation is an acceptable alternative to para-aortic and ipsilateral pelvic irradiation postorchiectomy for patients with Stage I seminoma of the testis. In this article, we report the long-term results of our prospective evaluation of para-aortic irradiation only for such patients. Methods and materials: Between March 1991 and September 2000, 71 patients with Stage I seminoma were treated with adjuvant irradiation to the para-aortic region only after radical inguinal orchiectomy. Radiotherapy was delivered using parallel-opposed fields extending from T11 to L5. A total dose of 25 Gy in 15 fractions was prescribed to midpoint. Follow-up was performed every 3 months for the first year, every 4 months for the second and third years, every 6 months for the fourth and fifth years, and annually thereafter. Chest X-ray, tumor markers, and computed tomography scan of the pelvis were performed routinely as part of the follow-up investigation. Results: At a median follow-up of 75 months, 68 of 71 patients are alive and free of relapse. Only 1 patient (1.4%) experienced failure in the ipsilateral inguinal nodal region. Two patients (2.8%) died of unrelated causes. The actuarial 10-year relapse free survival is 98.5% and the actuarial 10-year overall survival is 92%. No late toxicity has been encountered. Conclusion: Patients with Stage I seminoma of the testis may be safely treated with para-aortic radiotherapy only. Risk of pelvic failure is very low and treatment toxicity minimal.
The Ortho-to-Para Ratio and the Chemical Properties of C3 H2 in Dark Cloud Cores
NASA Astrophysics Data System (ADS)
Takakuwa, Shigehisa; Kawaguchi, Kentarou; Mikami, Hitomi; Saito, Masao
We have observed cyclic C3H2 (JKaKc = 212-101, 202 - 111, 312 - 303) lines at the 3 mm wavelength region toward the starless TMC-1C cloud and the protostellar core of L 1527 with the 45 m telescope at Nobeyama Radio Observatory. In both clouds, the 212-101 and 202 - 111 lines are strongly detected, while the 312 - 303 line is only detected toward the center of the protostellar core L 1527. From our statistical equilibrium analyses of the ortho-C3H2(212-101) and the para-C3H2(202-111)lines, the ortho-to-para ratios of C3H2 are determined to be 2.4 +/- 0.1 and 2.5 +/- 0.5 in TMC-1C and L 1527, respectively. These values are lower than the statistical value of 3, although the error of the ratio in L 1527 is large. Since thermal equilibrium with a dust temperature of 10 K still gives a ratio of 3 in c-C3H2, this result should suggest the lower ortho-to-para ratio of the precursor molecule, c-C3H+3, which is thought to be mainly produced by C3H++H2. Thus, we conclude that the lower ortho-to-para ratio of c-C3H2 is due to a lower ortho-to-para ratio of H2 than the statistical value.
PFI-ZEKE (Pulsed Field Ionization-Zero Electron Kinetic Energy) para el estudio de iones
NASA Astrophysics Data System (ADS)
Castaño, F.; Fernández, J. A.; Basterretxea, A. Longarte. F.; Sánchez Rayo, M. N.; Martínez, R.
Entre las áreas hacia donde ha evolucionado la Química en los últimos años están los estudios de sistemas con especies reactivas de alta energía y los dominados por fuerzas intermoleculares débiles, con energías de unas pocas kcal/mol. En efecto, el estudio de las propiedades de los iones, comenzando por su relación con la molécula neutra de la que procede, la energía de ionización, los estados vibracionales y rotacionales, energías de enlace de Van der Waals entre el ión y una amplia variedad de otras moléculas, sus confórmeros o isómeros y sus reacciones o semi-reacciones químicas están en la raíz de la necesidad de la espectroscopía conocida como PFI-ZEKE, Pulsed Field Ionization-Zero Electron Kinetic Energy. Entre las aplicaciones que requieren estos conocimientos se encuentran la generación de plasmas para la fabricación de semiconductores, memorias magnéticas, etc, así como los sistemas astrofísicos, la ionosfera terrestre, etc. La espectroscopía ZEKE es una evolución de las de fluorescencia inducida por láser, LIF, ionización multifotónica acrecentada por resonancia, REMPI, con uno y dos colores y acoplada a un sistema de tiempo de vuelo, REMPI-TOF-MS, y las espectroscopías de doble resonancia IR-UV y UV-UV. Sus espectros y la ayuda de cálculos ab inicio permite determinar las energías de enlace de complejos de van der Waals en estados fundamental y excitados, identificar confórmeros e isómeros, obtener energías de ionización experimentales aproximadas (100 cm-1) y otras variables de interés. Al igual que con LIF, REMPI y dobles resonancias, es posible utilizar muestras gaseosas, pero los espectros están muy saturados de bandas y su interpretación es difícil o imposible. Se evitan estas dificultades estudiando las moléculas o complejos en expansiones supersónicas, donde la T de los grados de libertad solo alcanzan unos pocos K. Para realizar experimentos de ZEKE hay que utilizar una propiedad recientemente
A remarkably stable TipE gene cluster: evolution of insect Para sodium channel auxiliary subunits
Background First identified in fruit flies with temperature-sensitive paralysis phenotypes, the Drosophila melanogaster TipE locus encodes four voltage-gated sodium (NaV) channel auxiliary subunits. This cluster of TipE-like genes on chromosome 3L, and a fifth family member on chromosome 3R, are important for the optional expression and functionality of the Para NaV channel but appear quite distinct from auxiliary subunits in vertebrates. Here, we exploited available arthropod genomic resources to trace the origin of TipE-like genes by mapping their evolutionary histories and examining their genomic architectures. Results We identified a remarkably conserved synteny block of TipE-like orthologues with well-maintained local gene arrangements from 21 insect species. Homologues in the water flea, Daphnia pulex, suggest an ancestral pancrustacean repertoire of four TipE-like genes; a subsequent gene duplication may have generated functional redundancy allowing gene losses in the silk moth and mosquitoes. Intronic nesting of the insect TipE gene cluster probably occurred following the divergence from crustaceans, but in the flour beetle and silk moth genomes the clusters apparently escaped from nesting. Across Pancrustacea, TipE gene family members have experienced intronic nesting, escape from nesting, retrotransposition, translocation, and gene loss events while generally maintaining their local gene neighbourhoods. D. melanogaster TipE-like genes exhibit coordinated spatial and temporal regulation of expression distinct from their host gene but well-correlated with their regulatory target, the Para NaV channel, suggesting that functional constraints may preserve the TipE gene cluster. We identified homology between TipE-like NaV channel regulators and vertebrate Slo-beta auxiliary subunits of big-conductance calcium-activated potassium (BKCa) channels, which suggests that ion channel regulatory partners have evolved distinct lineage-specific characteristics
Cosmoeducação: uma proposta para o ensino de astronomia
NASA Astrophysics Data System (ADS)
Medeiros, L. A. L.; Jafelice, L. C.
Entende-se por cosmoeducação o desenvolvimento vivencial da unidade homem-cosmo. Este conceito é norteado pela psicologia transpessoal, que estuda o ser humano em sua totalidade, onde suas relações ecológicas e cósmicas são de grande importância. Constata-se uma necessidade latente no ser humano moderno em resgatar uma relação holística com o Universo. Neste trabalho exploramos meios de cultivar a consciência de que o ser humano constitui parte integrante do cosmo e se relaciona com este com o objetivo de promover em si uma percepção ambiental mais ampla. Nossa hipótese de trabalho inicial foi que o ensino de conteúdos básicos em astronomia realizado através de uma abordagem holística, que incorpore práticas vivenciais correlacionadas àqueles conteúdos, pode despertar no indivíduo sua identidade cósmica. O método que utilizamos é o fenomenológico e o universo desta pesquisa é um grupo de estudantes da disciplina de Astronomia (Curso de Licenciatura em Geografia/UFRN), onde realizamos observação participante, entrevistas, depoimentos e as práticas vivenciais mencionadas. Neste caso estamos desenvolvendo e adaptando exercícios de algumas técnicas terapêuticas de psicologia transpessoal, que um de nós (LALM) tem aplicado no contexto clínico, para trabalhar aspectos cognitivos envolvidos naquele processo de conscientização cósmica. Resultados parciais claramente referendam a hipótese inicial. Um resultado a destacar é fruto de uma dinâmica de representação corporal interiorizada do eclipse lunar, envolvendo um pequeno grupo daqueles estudantes, na qual conteúdos míticos afloraram de maneira espontânea e contundente para todos, sugerindo ressonância, ou pelo menos isomorfismo, entre o macro e o microcosmo. Este e outros resultados são discutidos em detalhe neste trabalho. (PPGECNM/UFRN; PRONEX/FINEP; NUPA/USP; Temáticos/FAPESP).
Community Preferences for the Allocation &Donation of Organs - The PAraDOx Study
Background Transplantation is the treatment of choice for people with severe organ failure. However, demand substantially exceeds supply of suitable organs; consequently many people wait months, or years to receive an organ. Reasons for the chronic shortage of deceased organ donations are unclear; there appears to be no lack of 'in principle' public support for organ donation. Methods/Design The PAraDOx Study examines community preferences for organ donation policy in Australia. The aims are to 1) determine which factors influence decisions by individuals to offer their organs for donation and 2) determine the criteria by which the community deems the allocation of donor organs to be fair and equitable. Qualitative and quantitative methods will be used to assess community preferences for organ donation and allocation. Focus group participants from the general community, aged between 18-80, will be purposively sampled to ensure a variety of cultural backgrounds and views on organ donation. Each focus group will include a ranking exercise using a modified nominal group technique. Focus groups of organ recipients, their families, and individuals on a transplant waiting list will also be conducted. Using the qualitative work, a discrete choice study will be designed to quantitatively assess community preferences. Discrete choice methods are based on the premise that goods and services can be described in terms of a number of separate attributes. Respondents are presented with a series of choices where levels of attributes are varied, and a mathematical function is estimated to describe numerically the value respondents attach to different options. Two community surveys will be conducted in approximately 1000 respondents each to assess community preferences for organ donation and allocation. A mixed logit model will be used; model results will be expressed as parameter estimates (β) and the odds of choosing one option over an alternative. Trade-offs between attributes
Villegas, N.; Cianelli, R.; Ferrer, L.; Kaelber, L.; Peragallo, N.; Yaya, Alexandra O.
Introducción Las mujeres Hispanas de 50 años y más (MHC) son una minoría en Estados Unidos que está a elevado riesgo de adquirir VIH y son el grupo menos estudiado en lo que respecta a salud, características sociales y de comportamiento sexual. Objetivo Investigar los factores que incrementan el riesgo de VIH en las MHC con el propósito de desarrollar o adaptar una intervención apropiada para la "edad y la cultura "de este grupo de mujeres. Metodología Estudio descriptivo de corte transversal con una muestra de 50 MHC, sexualmente activas y que residían en Miami, Florida, Estados Unidos. Se utilizó un cuestionario estructurado administrado por entrevistadores entrenados y bilingües (inglés/español). Las participantes fueron reclutadas en diferentes lugares en el Sur de Florida. Para el análisis de los datos se utilizó estadística descriptiva, tanto medidas de tendencia central como medidas de dispersión. Resultados La edad promedio de las MHC fue de 55,7 ± 6 años (rango 50–76 años). Todas las MHC estaban en la menopausia. Prevención del VIH Las MHC reportaron niveles medios de conocimientos sobre VIH y comunicación con la pareja. En la muestra se reportó la presencia de síntomas depresivos, violencia en la pareja, actitudes negativas hacia las personas viviendo con VIH y baja percepción de riesgo de adquirir VIH. Las MHC mencionaron necesidades de aprendizaje en tópicos relacionados con prevención de VIH y cambios de la edad. Conclusión Las MHC están a riesgo de adquirir VIH y tienen necesidades especiales en términos de educación sobre prevención de VIH. PMID:25242862
Desarrollo curricular, conciencia ambiental y tecnologia para estudiantes de intermedia: Una investigacion en accion
NASA Astrophysics Data System (ADS)
Rodriguez Ramos, Teresita
Se llevó a cabo una investigación en acción con los propósitos de 1) documentar las relaciones de las tecnologías de la información y la comunicación en las clases de ciencias de escuela intermedia como elemento de apoyo cuando se aborda el tema ambiental y sus conceptos pertinentes, a partir de las observaciones de la investigadora, así como las entrevistas y diarios reflexivos de los estudiantes de una escuela intermedia en la zona metropolitana, y luego 2) diseñar una unidad instruccional sobre el tema ambiental que integre actividades tecnologías para el curso de ciencias de la escuela intermedia según el modelo PROCIC y las observaciones que hayan iniciado los estudiantes participantes. Finalmente, se plantearon las implicaciones educativas para el currículo del Programa de Ciencias al instrumentar este modelo de unidad mediante PROCIC, e integrado la tecnología y el tema ambiental. Los hallazgos se analizaron y se categorizaron de acuerdo con las preguntas de investigación. El hallazgo principal de la investigación aborda las cuatro relaciones centrales en las que se articula la utilización de las tecnologías y sus aplicaciones en la clase de ciencias. Estas cuatro relaciones que recogen la posición de los estudiantes son: 1) Perspectiva de los estudiantes hacia la tecnología. 2) Participación de los estudiantes en los aspectos docentes. 3) Aprendizaje estudiantil sobre el ambiente, y 4) Conciencia ambiental en relación con la vida diaria. Estas relaciones ponen de manifiesto,cómo se plantea en las implicaciones, la necesidad de más investigación en acción en la sala de clases, la importancia—como tema transversal—de la conciencia ambiental mediante la tecnología al construir conocimientos significativos dentro y fuera de la escuela, asó como, valorar la investigación y la dialogicidad en la sala de clases como actividades que obligan al reexamen de la práctica didáctica en su formas curriculares de objetivos, recursos
Positive Pacing Strategies Are Utilized by Elite Male and Female Para-cyclists in Short Time Trials in the Velodrome
Wright, Rachel L.
In para-cycling, competitors are classed based on functional impairment resulting in cyclists with neurological and locomotor impairments competing against each other. In Paralympic competition, classes are combined by using a factoring adjustment to race times to produce the overall medallists. Pacing in short-duration track cycling events is proposed to utilize an "all-out" strategy in able-bodied competition. However, pacing in para-cycling may vary depending on the level of impairment. Analysis of the pacing strategies employed by different classification groups may offer scope for optimal performance; therefore, this study investigated the pacing strategy adopted during the 1-km time trial (TT) and 500-m TT in elite C1 to C3 para-cyclists and able-bodied cyclists. Total times and intermediate split times (125-m intervals; measured to 0.001 s) were obtained from the C1-C3 men's 1-km TT (n = 28) and women's 500-m TT (n = 9) from the 2012 Paralympic Games and the men's 1-km TT (n = 19) and women's 500-m TT (n = 12) from the 2013 UCI World Track Championships from publically available video. Split times were expressed as actual time, factored time (for the para-cyclists) and as a percentage of total time. A two-way analysis of variance was used to investigate differences in split times between the different classifications and the able-bodied cyclists in the men's 1-km TT and between the para-cyclists and able-bodied cyclists in the women's 500-m TT. The importance of position at the first split was investigated with Kendall's Tau-b correlation. The first 125-m split time was the slowest for all cyclists, representing the acceleration phase from a standing start. C2 cyclists were slowest at this 125-m split, probably due to a combination of remaining seated in this acceleration phase and a high proportion of cyclists in this group being trans-femoral amputees. Not all cyclists used aero-bars, preferring to use drop, flat or bullhorn handlebars. Split times
Usina de ciências: um espaço pedagógico para aprendizagens múltiplas
NASA Astrophysics Data System (ADS)
Martin, V. A. F.; Poppe, P. C. R.; Orrico, A. C. P.; Pereira, M. G.
Entendemos que o Ensino de Astronomia é especialmente apropriado para motivar os alunos e aprofundar conteúdos em diversas áreas do conhecimento, pois envolve temas ligados à Física, Matemática, Química, Computação, Tratamento de Imagens e Instrumentação de Alta Precisão, além daqueles pertinentes as áreas de Geografia, História e Antropologia. Contudo, apesar do caráter interdisciplinar que esta ciência possui, a realidade atual é que a maioria dos professores em sala de aula não foram devidamente capacitados, durante o período de formação acadêmica, para ministrar conteúdos de Astronomia nos atuais Ensinos Fundamental e Médio. Neste trabalho, discutiremos de maneira ampla, num primeiro momento, a realidade do atual ensino de ciências praticado no Estado da Bahia, apontando por dependência administrativa, o crescimento e a redução do número de escolas, da taxa de analfabetismo por faixa etária, da escolarização, do atendimento, da aprovação, reprovação e abandono, de equipamentos e laboratórios e o grau de formação dos nossos atuais professores em pleno exercício de atividade docente. Num segundo momento, discutiremos o papel do Observatório Astronômico Antares/UEFS dentro desse contexto, ou seja, suas ações implementadas ao longo dos últimos anos e em particular, o recente projeto de extensão Ensino e Difusão de Astronomia, financiado pela Fundação Vitae, que procura traduzir no lúdico, no brincar de ciências, um espaço pedagógico para aprendizagens múltiplas. Neste, o papel do professor multiplicador associado ao laboratório de kits didáticos, de fácil construção e manipulação (alguns dos quais serão mostrados), perfazem os principais veículos para o desenvolvimento de conhecimentos, atitudes, habilidades e valores que preparam os nossos alunos para a carreira técnico-científica e para sua participação crítica e criativa na Sociedade.
Positive Pacing Strategies Are Utilized by Elite Male and Female Para-cyclists in Short Time Trials in the Velodrome.
Wright, Rachel L
In para-cycling, competitors are classed based on functional impairment resulting in cyclists with neurological and locomotor impairments competing against each other. In Paralympic competition, classes are combined by using a factoring adjustment to race times to produce the overall medallists. Pacing in short-duration track cycling events is proposed to utilize an "all-out" strategy in able-bodied competition. However, pacing in para-cycling may vary depending on the level of impairment. Analysis of the pacing strategies employed by different classification groups may offer scope for optimal performance; therefore, this study investigated the pacing strategy adopted during the 1-km time trial (TT) and 500-m TT in elite C1 to C3 para-cyclists and able-bodied cyclists. Total times and intermediate split times (125-m intervals; measured to 0.001 s) were obtained from the C1-C3 men's 1-km TT (n = 28) and women's 500-m TT (n = 9) from the 2012 Paralympic Games and the men's 1-km TT (n = 19) and women's 500-m TT (n = 12) from the 2013 UCI World Track Championships from publically available video. Split times were expressed as actual time, factored time (for the para-cyclists) and as a percentage of total time. A two-way analysis of variance was used to investigate differences in split times between the different classifications and the able-bodied cyclists in the men's 1-km TT and between the para-cyclists and able-bodied cyclists in the women's 500-m TT. The importance of position at the first split was investigated with Kendall's Tau-b correlation. The first 125-m split time was the slowest for all cyclists, representing the acceleration phase from a standing start. C2 cyclists were slowest at this 125-m split, probably due to a combination of remaining seated in this acceleration phase and a high proportion of cyclists in this group being trans-femoral amputees. Not all cyclists used aero-bars, preferring to use drop, flat or bullhorn handlebars. Split times
Adapting a Common Photographic Camera to Take Pictures of the Sky. (Spanish Title: Adaptando Una Camara Fotografica Comun Para Obtener Fotografias del Cielo.) Adaptando Uma Câmera Fotográfica Manual Simples Para Fotografar o Céu
NASA Astrophysics Data System (ADS)
Danhoni Neves, Marcos Cesar; Pereira, Ricardo Francisco
In this paper will be introduced a method of astrophotography using a non-reflex photographic camera (a low-cost method). It will be revised some photographic processes commonly used nowadays for comparison with the aims of this paper. En este trabajo será introducido un método de astrofotografia que utiliza una cámara fotográfica non-reflex (un método de bajo costo). Serán revisados algunos procesos fotográficos comúnmente utilizados actualmente para comparación con los objetivos de este trabajo. O presente artigo procura introduzir um método de astrofotografia utilizando uma câmera fotográfica não reflex, de baixo custo. É feita uma revisão do processo fotográfico comumente empregado para fins de comparação com os objetivos pretendidos no presente trabalho.
Para-toluenesulfonamide induces tongue squamous cell carcinoma cell death through disturbing lysosomal stability.
Liu, Zhe; Liang, Chenyuan; Zhang, Zhuoyuan; Pan, Jian; Xia, Hui; Zhong, Nanshan; Li, Longjiang
Para-toluenesulfonamide (PTS) has been implicated with anticancer effects against a variety of tumors. In the present study, we investigated the inhibitory effects of PTS on tongue squamous cell carcinoma (Tca-8113) and explored the lysosomal and mitochondrial changes after PTS treatment in vitro. High-performance liquid chromatography showed that PTS selectively accumulated in Tca-8113 cells with a relatively low concentration in normal fibroblasts. Next, the effects of PTS on cell viability, invasion, and cell death were determined. PTS significantly inhibited Tca-8113 cells' viability and invasive ability with increased cancer cell death. Flow cytometric analysis and the lactate dehydrogenase release assay showed that PTS induced cancer cell death by activating apoptosis and necrosis simultaneously. Morphological changes, such as cellular shrinkage, nuclear condensation as well as formation of apoptotic body and secondary lysosomes, were observed, indicating that PTS might induce cell death through disturbing lysosomal stability. Lysosomal integrity assay and western blot showed that PTS increased lysosomal membrane permeabilization associated with activation of lysosomal cathepsin B. Finally, PTS was shown to inhibit ATP biosynthesis and induce the release of mitochondrial cytochrome c. Therefore, our findings provide a novel insight into the use of PTS in cancer therapy. PMID:26302210
Para-dichlorobenzene toxicity – a review of potential neurotoxic manifestations
Dubey, Divyanshu; Sharma, Vibhash D.; Pass, Steven E.; Sawhney, Anshudha
Background: Para-dichlorobenzene (PDCB) is an active ingredient of mothballs, deodorizers and fumigants. Due to the easy availability of this chemical, there is a considerable risk for accidental or intentional toxic exposure. Recently, multiple cases of PDCB toxicity due to mothball ingestion were reported. PDCB toxicity can affect multiple organ systems including liver, kidneys, skin, lung and the central nervous system (CNS). CNS toxicity often results in leukoencephalopathy and heterogeneous neurological manifestations. Objectives: The objective of this study was to illustrate the clinical presentation, imaging findings, diagnosis and management of PDCB toxicity. Methods: We carried out a literature review of the pharmacological and toxicological properties of PDCB. Conclusions: PDCB and other aromatic hydrocarbons are capable of CNS tissue damage and in promoting functional neurological decline. While very little is currently known about prevalence of PDCB addiction, it cannot be ruled out that its illicit use among young people is under-recognized. The number of cases of PDCB toxicity might also rise due to the increasing industrial and domestic use of this chemical. PMID:24790648
Para-Phenylenediamine Induces Apoptotic Death of Melanoma Cells and Reduces Melanoma Tumour Growth in Mice.
Bhowmick, Debajit; Bhar, Kaushik; Mallick, Sanjaya K; Das, Subhadip; Chatterjee, Nabanita; Sarkar, Tuhin Subhra; Chakrabarti, Rajarshi; Das Saha, Krishna; Siddhanta, Anirban
Melanoma is one of the most aggressive forms of cancer, usually resistant to standard chemotherapeutics. Despite a huge number of clinical trials, any success to find a chemotherapeutic agent that can effectively destroy melanoma is yet to be achieved. Para-phenylenediamine (p-PD) in the hair dyes is reported to purely serve as an external dyeing agent. Very little is known about whether p-PD has any effect on the melanin producing cells. We have demonstrated p-PD mediated apoptotic death of both human and mouse melanoma cells in vitro. Mouse melanoma tumour growth was also arrested by the apoptotic activity of intraperitoneal administration of p-PD with almost no side effects. This apoptosis is shown to occur primarily via loss of mitochondrial membrane potential (MMP), generation of reactive oxygen species (ROS), and caspase 8 activation. p-PD mediated apoptosis was also confirmed by the increase in sub-G0/G1 cell number. Thus, our experimental observation suggests that p-PD can be a potential less expensive candidate to be developed as a chemotherapeutic agent for melanoma. PMID:27293892
Long-Range Ruthenium-Amine Electronic Communication through the para-Oligophenylene Wire
Shen, Jun-Jian; Zhong, Yu-Wu
The studies of long-range electronic communication are hampered by solubility and potential-splitting issues. A "hybridized redox-asymmetry" method using a combination of organic and inorganic redox species is proposed and exemplified to overcome these two issues. Complexes 1(PF6)–6(PF6) (from short to long in length) with the organic redox-active amine and inorganic cyclometalated ruthenium termini bridged by the para-oligophenylene wire have been prepared. Complex 6 has the longest Ru-amine geometrical distance of 27.85 Å. Complexes 3(PF6) and 4(PF6) show lamellar crystal packing on the basis of a head-to-tail anti-parallelly aligned dimeric structure. Two redox waves are observed for all complexes in the potential region between +0.2 and +0.9 V vs Ag/AgCl. The electrochemical potential splitting is 410, 220, 143, 112, 107, and 105 mV for 1(PF6) through 6(PF6), respectively. Ruthenium (+2) to aminium (N•+) charge transfer transitions have been identified for the odd-electron compounds 12+–62+ by spectroelectrochemical measurements. The electronic communication between amine and ruthenium decreases exponentially with a decay slope of −0.137 Å−1. DFT calculations have been performed to complement these experimental results. PMID:26344929
Ab initio study of vibrational anharmonic coupling effects in oligo(para-phenylenes)
NASA Astrophysics Data System (ADS)
Heimel, G.; Somitsch, D.; Knoll, P.; Zojer, E.
In this work, we clarify the nature of a previously not precisely identified Fermi dyad in the frequency range around 1600 cm-1 in oligo( para-phenylenes). To this end, we deploy a novel method to calculate third order anharmonic coupling effects in molecules. This Fermi dyad is shown to yield important information on the structural properties of the investigated materials. The nature of all vibrations contributing to this quantum mechanical resonance phenomenon is explained on the basis of a detailed normal coordinate analysis. The anharmonic coupling is then closely investigated by applying our theoretical model. In particular, we discuss the intensity redistribution among the two components of the Fermi doublet as well as their energetic separation. Subsequently, we establish a relation between these features and the structural conformation of the molecules. We show, how oligomer length and planarity of these systems can be determined from experimental Raman spectra by extracting the positions and relative intensities of the two components of the Fermi doublet. Furthermore, this Fermi resonance is shown to be sensitive to chemical modification on the molecules such as deuteration or substitution. Finally, we extend our model to electronically excited states in this class of molecules, as well as to charged species.
Foco Nasmyth para el telescopio 2,15mts. de CASLEO
NASA Astrophysics Data System (ADS)
Casagrande, A. R.
En principio, este proyecto intenta lograr el mayor aprovechamiento posible del instrumental que se dispone, buscando la manera de optimizar y hacer más eficiente el servicio que brinda el CASLEO a la comunidad astronómica. El mismo consiste en utilizar dispositivos ya existentes en el telescopio, y darle una utilidad. Tal es el caso del camino óptico destinado al foco Coude. Si tenemos en cuenta que disponemos de un tercer espejo Coude, con todos sus mecanismos automatizados, (actualmente sin uso), una distancia apropiada del plano focal, el espacio y el lugar físico necesario para instalar un periférico, es posible la habilitación de un foco Nasmyth en el telescopio 2,15mts. El hecho de contar con este nuevo foco, redundará en importantes beneficios. En primer lugar, posibilitará la observación, casi simultánea, con dos instrumentos. Otro aspecto a tener en cuenta, es que disminuirá el frecuente cambio del instrumental periférico, motivo este que degrada su ideal puesta a punto. Por último, también de interés, es de destacar su escaso costo de ejecución.
Health promotion programs related to the Athens 2004 Olympic and Para Olympic games
Soteriades, Elpidoforos S; Hadjichristodoulou, Christos; Kremastinou, Jeni; Chelvatzoglou, Fotini C; Minogiannis, Panagiotis S; Falagas, Matthew E
Background The Olympic Games constitute a first-class opportunity to promote athleticism and health messages. Little is known, however on the impact of Olympic Games on the development of health-promotion programs for the general population. Our objective was to identify and describe the population-based health-promotion programs implemented in relation to the Athens 2004 Olympic and Para Olympic Games. Methods A cross-sectional survey of all stakeholders of the Games, including the Athens 2004 Organizing Committee, all ministries of the Greek government, the National School of Public Health, all municipalities hosting Olympic events and all official private sponsors of the Games, was conducted after the conclusion of the Games. Results A total of 44 agencies were surveyed, 40 responded (91%), and ten (10) health-promotion programs were identified. Two programs were implemented by the Athens 2004 Organizing Committee, 2 from the Greek ministries, 2 from the National School of Public Health, 1 from municipalities, and 3 from official private sponsors of the Games. The total cost of the programs was estimated at 943,000 Euros; a relatively small fraction (0.08%) of the overall cost of the Games. Conclusion Greece has made a small, however, significant step forward, on health promotion, in the context of the Olympic Games. The International Olympic Committee and the future hosting countries, including China, are encouraged to elaborate on this idea and offer the world a promising future for public health. PMID:16504120
ParaText : scalable solutions for processing and searching very large document collections : final LDRD report.
Crossno, Patricia Joyce; Dunlavy, Daniel M.; Stanton, Eric T.; Shead, Timothy M.
This report is a summary of the accomplishments of the 'Scalable Solutions for Processing and Searching Very Large Document Collections' LDRD, which ran from FY08 through FY10. Our goal was to investigate scalable text analysis; specifically, methods for information retrieval and visualization that could scale to extremely large document collections. Towards that end, we designed, implemented, and demonstrated a scalable framework for text analysis - ParaText - as a major project deliverable. Further, we demonstrated the benefits of using visual analysis in text analysis algorithm development, improved performance of heterogeneous ensemble models in data classification problems, and the advantages of information theoretic methods in user analysis and interpretation in cross language information retrieval. The project involved 5 members of the technical staff and 3 summer interns (including one who worked two summers). It resulted in a total of 14 publications, 3 new software libraries (2 open source and 1 internal to Sandia), several new end-user software applications, and over 20 presentations. Several follow-on projects have already begun or will start in FY11, with additional projects currently in proposal.
Development and Validation of the Escala de Actitudes Emprendedoras para Estudiantes (EAEE).
Oliver, Amparo; Galiana, Laura
During the last few years, entrepreneurship has gained an important role in many economic and social policies, with the consequent growth of entrepreneurial research in many social areas. However, in the Spanish psychometric context, there is not an updated scale including recent contributions to entrepreneurship attitudes literature. The aim of this study is to present and validate a new scale named Escala de Actitudes Emprendedoras para Estudiantes-EAEE, (Entrepreneurial Attitudes Scale for Students, EASS), in two samples of high school and university Spanish students. Data comes from a cross-sectional survey of 524 high school and undergraduate students, from Valencia (Spain). Two confirmatory factor analyses (CFAs) were estimated, together with reliability and validity evidence of the scale. Results offered evidence of the adequate psychometric properties of the EASS. The CFAs showed overall and analytical adequate fit indexes (χ 2 (120) = 163.19 (p < .01), GFI = .906, CFI = .959, SRMR = .044, RMSEA = .040 [CI .022-.054]); reliability indices of the entrepreneurial attitudes were appropriate for most of the entrepreneurial attitudes (α were between .63 and .87 for the different dimensions); and external evidence relating entrepreneurial dimensions to personality traits was similar to in previous studies. The scale could be a useful instrument both for previous diagnosis and effectiveness assessment of programs on entrepreneurship promotion. PMID:26055696
Analysis of passive motion of para- and retropharyngeal structures during swallowing using dynamic magnetic resonance imaging.
Chitose, Shun-ichi; Haraguchi, Masahiro; Nagata, Shuji; Katayama, Reiji; Sato, Kiminori; Fukahori, Mioko; Sueyoshi, Shintaro; Kurita, Takashi; Abe, Toshi; Nakashima, Tadashi
The purpose of this study was to analyze passive motion of the para- and retropharyngeal space (PRS) during swallowing using dynamic magnetic resonance imaging (MRI). We conducted a preliminary study involving 30 healthy volunteers who underwent dynamic MRI. Consecutive MRI axial images were obtained by examining the plane parallel to the hard palate at the level of the anterior inferior corner of C2. Anterior displacement of the posterior pharyngeal wall (PPW) was measured as a motion index of pharyngeal contraction. The displacement and internal angle of the bilateral external and internal carotid arteries (ECA and ICA) and the bilateral centroids of the PRS area, as well as the increase in PRS area, were calculated at rest and at maximum pharyngeal contraction. In most participants, the bilateral ECA, ICA, and centroids were anterointernally displaced by pharyngeal contraction. The normalized ECA displacement (r = 0.64, r (2) = 0.41), normalized ICA displacement (r = 0.60, r (2) = 0.37), and normalized centroid displacement (r = 0.43, r (2) = 0.19) were more than moderately positively correlated with the normalized PPW displacement. The normalized PRS area increase (r = 0.35, r (2) = 0.12) was weakly positively correlated with the normalized PPW displacement. These results revealed that PRS area increased as the ECA and ICA were drawn anterointernally via its passive motion by pharyngeal contraction. PMID:24859486
Polycrystalline para-terphenyl scintillator adopted in a β- detecting probe for radio-guided surgery
NASA Astrophysics Data System (ADS)
Solfaroli Camillocci, E.; Bellini, F.; Bocci, V.; Collamati, F.; De Lucia, E.; Faccini, R.; Marafini, M.; Mattei, I.; Morganti, S.; Paramatti, R.; Patera, V.; Pinci, D.; Recchia, L.; Russomando, A.; Sarti, A.; Sciubba, A.; Senzacqua, M.; Voena, C.
A radio-guided surgery technique exploiting β- emitters is under development. It aims at a higher target-to-background activity ratio implying both a smaller radiopharmaceutical activity and the possibility of extending the technique to cases with a large uptake of surrounding healthy organs. Such technique requires a dedicated intraoperative probe detecting β- radiation. A first prototype has been developed relying on the low density and high light yield of the diphenylbutadiene doped para-therphenyl organic scintillator. The scintillation light produced in a cylindrical crystal, 5 mm in diameter and 3 mm in height, is guided to a photo-multiplier tube by optical fibres. The custom readout electronics is designed to optimize its usage in terms of feedback to the surgeon, portability and remote monitoring of the signal. Tests show that with a radiotracer activity comparable to those administered for diagnostic purposes the developed probe can detect a 0.1 ml cancerous residual of meningioma in a few seconds.
Crystal structures of supramolecular assemblies based on a para-dicyclohexanocucurbit[6]uil with metal ions
NASA Astrophysics Data System (ADS)
Qin, Xiao; Chen, Wen-Jian; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu
Five crystals based on para-dicyclohexanocucurbit[6]uil (DCyHQ[6]) were synthesized and structurally characterized by single-crystal X-ray diffractions. They are {Dioxane@DCyHQ[6]}·18H 2O ( 1), {[Cu(HO)6]2DCyHQ[6]}·2SO42-·10HO ( 2), {[Zn(HO)6]2DCyHQ[6]}·2SO42-·10HO ( 3), {[Sr(HO)5]2DCyHQ[6]}·5Cl·(HO)+·8HO ( 4), {[Na(HO)4]2DCyHQ[6]}·4Br·2(HO)+·14HO ( 5). The compound 1 which is a dioxane @DCyHQ[6] inclusion host-guest complex; the other three crystal structures of the compounds 2, 3 and 4 show supramolecular assemblies comprising of DCyHQ[6] and metal ions or their aqueous complexes through hydrogen bonding; while the crystal structure of the compound 5 shows a one-dimensional supramolecular polymer through direct coordination of sodium cations to the portal carbonyl oxygen atoms of the DCyHQ[6].
Mycobacterium tuberculosis Folate Metabolism and the Mechanistic Basis for para-Aminosalicylic Acid Susceptibility and Resistance
Minato, Yusuke; Thiede, Joshua M.; Kordus, Shannon Lynn; McKlveen, Edward J.; Turman, Breanna J.
para-Aminosalicylic acid (PAS) entered clinical use in 1946 as the second exclusive drug for the treatment of tuberculosis (TB). While PAS was initially a first-line TB drug, the introduction of more potent antitubercular agents relegated PAS to the second-line tier of agents used for the treatment of drug-resistant Mycobacterium tuberculosis infections. Despite the long history of PAS usage, an understanding of the molecular and biochemical mechanisms governing the susceptibility and resistance of M. tuberculosis to this drug has lagged behind that of most other TB drugs. Herein, we discuss previous studies that demonstrate PAS-mediated disruption of iron acquisition, as well as recent genetic, biochemical, and metabolomic studies that have revealed that PAS is a prodrug that ultimately corrupts one-carbon metabolism through inhibition of the formation of reduced folate species. We also discuss findings from laboratory and clinical isolates that link alterations in folate metabolism to PAS resistance. These advancements in our understanding of the basis of the susceptibility and resistance of M. tuberculosis to PAS will enable the development of novel strategies to revitalize this and other antimicrobial agents for use in the global effort to eradicate TB. PMID:26033719
LabVIEW-based control software for para-hydrogen induced polarization instrumentation
Agraz, Jose Grunfeld, Alexander; Li, Debiao; Cunningham, Karl; Willey, Cindy; Pozos, Robert; Wagner, Shawn
The elucidation of cell metabolic mechanisms is the modern underpinning of the diagnosis, treatment, and in some cases the prevention of disease. Para-Hydrogen induced polarization (PHIP) enhances magnetic resonance imaging (MRI) signals over 10 000 fold, allowing for the MRI of cell metabolic mechanisms. This signal enhancement is the result of hyperpolarizing endogenous substances used as contrast agents during imaging. PHIP instrumentation hyperpolarizes Carbon-13 ({sup 13}C) based substances using a process requiring control of a number of factors: chemical reaction timing, gas flow, monitoring of a static magnetic field (B{sub o}), radio frequency (RF) irradiation timing, reaction temperature, and gas pressures. Current PHIP instruments manually control the hyperpolarization process resulting in the lack of the precise control of factors listed above, resulting in non-reproducible results. We discuss the design and implementation of a LabVIEW based computer program that automatically and precisely controls the delivery and manipulation of gases and samples, monitoring gas pressures, environmental temperature, and RF sample irradiation. We show that the automated control over the hyperpolarization process results in the hyperpolarization of hydroxyethylpropionate. The implementation of this software provides the fast prototyping of PHIP instrumentation for the evaluation of a myriad of {sup 13}C based endogenous contrast agents used in molecular imaging.
Porous poly(para-phenylene) scaffolds for load-bearing orthopedic applications.
DiRienzo, Amy L; Yakacki, Christopher M; Frensemeier, Mareike; Schneider, Andreas S; Safranski, David L; Hoyt, Anthony J; Frick, Carl P
The focus of this study was to fabricate and investigate the mechanical behavior of porous poly(para-phenylene) (PPP) for potential use as a load-bearing orthopedic biomaterial. PPPs are known to have exceptional mechanical properties due to their aromatic backbone; however, the manufacturing and properties of PPP porous structures have not been previously investigated. Tailored porous structures with either small (150-250µm) or large (420-500µm) pore sizes were manufactured using a powder-sintering/salt-leaching technique. Porosities were systematically varied using 50 to 90vol%. Micro-computed tomography (µCT) and scanning electron microscopy (SEM) were used to verify an open-cell structure and investigate pore morphology of the scaffolds. Uniaxial mechanical behavior of solid and porous PPP samples was characterized through tensile and compressive testing. Both modulus and strength decreased with increasing porosity and matched well with foam theory. Porous scaffolds showed a significant decrease in strain-to-failure (<4%) under tensile loading and experienced linear elasticity, plastic deformation, and densification under compressive loading. Over the size ranges tested, pore size did not significantly influence the mechanical behavior of the scaffolds on a consistent basis. These results are discussed in regards to use of porous PPP for orthopedic applications and a prototype porous interbody fusion cage is presented. PMID:24374261
Theoretical study of para-nitro-aniline adsorption on the Au(111) surface
NASA Astrophysics Data System (ADS)
Li, Cui; Monti, Susanna; Li, Xin; Rinkevicius, Zilvinas; Ågren, Hans; Carravetta, Vincenzo
The electronic structure, bonding properties and dynamics of para-nitro-aniline (PNA) adsorbed on the Au(111) surface for a sub-monolayer coverge have been investigated by density-functional theory (DFT) static calculations and quantum molecular dynamics simulations. Four main adsorption geometries have been identified by DFT energy optimization with the gradient corrected PBE functional and accounting for the role of the van del Waals (vdW) interaction. Quantum dynamics calculations starting from the four different structures have been performed at room temperature to estimate the relative stability of the adsorbates and the presence of barriers for their interconversion. Quantum simulations suggest that the most stable adsorption geometry at room temperature is that of PNA with a slightly distorted molecular plane almost parallel to the Au(111) surface. In a second less populated configuration the PNA molecule interacts with the substrate by its NO2 group while the molecular plane is orthogonal to the surface. The N 1s electron photoemission spectrum has been simulated for the identified adsorbate geometries and a measurable variation of the absolute and relative chemical shift for the two nitrogen atoms in comparison with the known values for PNA in gas phase is predicted.
Performance of three different anodes in electrochemical degradation of 4-para-nitrophenol.
Murugaesan, Pramila; Aravind, Priyadharshini; Muniyandi, Neelavannan Guruswamy; Kandasamy, Subramanian
In recent years, removal of pollutants from wastewater by electrochemical oxidation has become an attractive method. The present investigation deals with the degradation of 4-para-nitrophenol (4-PNP) by electrochemical oxidation using three different anodes, namely TiO2-RuO2-IrO2/Ti (titanium substrate insoluble anode - TSIA)), IrO2-PbO2/Ti and graphite. Electrochemical oxidation of 4-PNP was carried out employing sodium chloride as the supporting electrolyte, at pH 7 with a current density of 15 mA/cm(2). The degradation of 4-PNP by electro-oxidation was characterized by ultraviolet-visible spectroscopy, Fourier transform infrared spectroscopy and high-performance liquid chromatography. The performance efficiency and current efficiency of the three anodic materials in this study were evaluated by chemical oxygen demand (COD). Comparisons of energy consumption for the three anodes employed were also calculated. Among electrodes investigated, the IrO2-PbO2/Ti electrode resulted in 98% of COD removal in 30 min comparatively at a less energy consumption of 1 × 10(-2) kWh m(-3), depicting its higher performance efficiency in 4-PNP degradation. PMID:25885262
Origin of the low-energy emission band in epitaxially grown para-sexiphenyl nanocrystallites
NASA Astrophysics Data System (ADS)
Kadashchuk, A.; Schols, S.; Heremans, P.; Skryshevski, Yu.; Piryatinski, Yu.; Beinik, I.; Teichert, C.; Hernandez-Sosa, G.; Sitter, H.; Andreev, A.; Frank, P.; Winkler, A.
A comparative study of steady-state and time-resolved photoluminescence of para-sexiphenyl (PSP) films grown by organic molecular beam epitaxy (OMBE) and hot wall epitaxy (HWE) under comparable conditions is presented. Using different template substrates [mica(001) and KCl(001) surfaces] as well as different OMBE growth conditions has enabled us to vary greatly the morphology of the PSP crystallites while keeping their chemical structure virtually untouched. We prove that the broad redshifted emission band has a structure-related origin rather than being due to monomolecular oxidative defects. We conclude that the growth conditions and type of template substrate impacts substantially on the film morphology (measured by atomic force microscopy) and emission properties of the PSP films. The relative intensity of the defect emission band observed in the delayed spectra was found to correlate with the structural quality of PSP crystallites. In particular, the defect emission has been found to be drastically suppressed when (i) a KCl template substrate was used instead of mica in HWE-grown films, and (ii) in the OMBE-grown films dominated by growth mounds composed of upright standing molecules as opposed to the films consisting of crystallites formed by molecules lying parallel to the substrate.
LabVIEW-based control software for para-hydrogen induced polarization instrumentation
NASA Astrophysics Data System (ADS)
Agraz, Jose; Grunfeld, Alexander; Li, Debiao; Cunningham, Karl; Willey, Cindy; Pozos, Robert; Wagner, Shawn
The elucidation of cell metabolic mechanisms is the modern underpinning of the diagnosis, treatment, and in some cases the prevention of disease. Para-Hydrogen induced polarization (PHIP) enhances magnetic resonance imaging (MRI) signals over 10 000 fold, allowing for the MRI of cell metabolic mechanisms. This signal enhancement is the result of hyperpolarizing endogenous substances used as contrast agents during imaging. PHIP instrumentation hyperpolarizes Carbon-13 (13C) based substances using a process requiring control of a number of factors: chemical reaction timing, gas flow, monitoring of a static magnetic field (Bo), radio frequency (RF) irradiation timing, reaction temperature, and gas pressures. Current PHIP instruments manually control the hyperpolarization process resulting in the lack of the precise control of factors listed above, resulting in non-reproducible results. We discuss the design and implementation of a LabVIEW based computer program that automatically and precisely controls the delivery and manipulation of gases and samples, monitoring gas pressures, environmental temperature, and RF sample irradiation. We show that the automated control over the hyperpolarization process results in the hyperpolarization of hydroxyethylpropionate. The implementation of this software provides the fast prototyping of PHIP instrumentation for the evaluation of a myriad of 13C based endogenous contrast agents used in molecular imaging.
The Protonation Site of para-Dimethylaminobenzoic Acid Using Atmospheric Pressure Ionization Methods
NASA Astrophysics Data System (ADS)
Chai, Yunfeng; Weng, Guofeng; Shen, Shanshan; Sun, Cuirong; Pan, Yuanjiang
The protonation site of para-dimethylaminobenzoic acid ( p-DMABA) was investigated using atmospheric pressure ionization methods (ESI and APCI) coupled with collision-induced dissociation (CID), nuclear magnetic resonance (NMR), and computational chemistry. Theoretical calculations and NMR experiments indicate that the dimethyl amino group is the preferred site of protonation both in the gas phase and aqueous solution. Protonation of p-DMABA occurs at the nitrogen atom by ESI independent of the solvents and other operation conditions under typical thermodynamic control. However, APCI produces a mixture of the nitrogen- and carbonyl oxygen-protonated p-DMABA when aprotic organic solvents (acetonitrile, acetone, and tetrahydrofuran) are used, exhibiting evident kinetic characteristics of protonation. But using protic organic solvents (methanol, ethanol, and isopropanol) in APCI still leads to the formation of thermodynamically stable N-protonated p-DMABA. These structural assignments were based on the different CID behavior of the N- and O-protonated p-DMABA. The losses of methyl radical and water are the diagnostic fragmentations of the N- and O-protonated p-DMABA, respectively. In addition, the N-protonated p-DMABA is more stable than the O-protonated p-DMABA in CID revealed by energy resolved experiments and theoretical calculations.
Conformational Analysis of R-(+)-3-METHYLCYCLOPENTANONE by IR Spectroscopy in Para-Hydrogen Crystal
NASA Astrophysics Data System (ADS)
Al-Basheer, Watheq; Toh, Shin Yi; Miyazaki, Jun; Momose, Takamasa
Para-hydrogen (pH_2) soft quantum crystal is an ideal isolation matrix due to its impressive intrinsic properties, i.e. its significant lattice constant, large zero-point vibration as well as its ability to repair itself of crystal defects. To investigate molecular conformation of a chiral ketone, IR spectra of R-(+)-3-methylcyclopentanone (R3MCP), hosted in pH_2 crystal, were recorded as a function of sample concentration and host pH_2 crystal temperature over the low deposition range {3.5-6.0K}. IR spectra of R3MCP in pH_2 crystal will be presented and compared against corresponding spectra in Ar matrix as well as IR spectra of the neat crystalline R3MCP at low deposition temperatures. Furthermore, density functional theory calculations of simulated IR spectra for the optimized geometries of R3MCP, equatorial-methyl and axial-methyl conformers are compared against experimental spectra for the purpose of investigating molecular conformation. Upon comparison between theoretical and experimental IR spectra, vibrational modes arising from equatorial and axial conformers have been successfully assigned and related to the individual conformer's structure.
Long-Range Ruthenium-Amine Electronic Communication through the para-Oligophenylene Wire
NASA Astrophysics Data System (ADS)
Shen, Jun-Jian; Zhong, Yu-Wu
The studies of long-range electronic communication are hampered by solubility and potential-splitting issues. A "hybridized redox-asymmetry" method using a combination of organic and inorganic redox species is proposed and exemplified to overcome these two issues. Complexes 1(PF6)-6(PF6) (from short to long in length) with the organic redox-active amine and inorganic cyclometalated ruthenium termini bridged by the para-oligophenylene wire have been prepared. Complex 6 has the longest Ru-amine geometrical distance of 27.85 Å. Complexes 3(PF6) and 4(PF6) show lamellar crystal packing on the basis of a head-to-tail anti-parallelly aligned dimeric structure. Two redox waves are observed for all complexes in the potential region between +0.2 and +0.9 V vs Ag/AgCl. The electrochemical potential splitting is 410, 220, 143, 112, 107, and 105 mV for 1(PF6) through 6(PF6), respectively. Ruthenium (+2) to aminium (N•+) charge transfer transitions have been identified for the odd-electron compounds 12+-62+ by spectroelectrochemical measurements. The electronic communication between amine and ruthenium decreases exponentially with a decay slope of -0.137 Å-1. DFT calculations have been performed to complement these experimental results.
Long-Range Ruthenium-Amine Electronic Communication through the para-Oligophenylene Wire.
Shen, Jun-Jian; Zhong, Yu-Wu
The studies of long-range electronic communication are hampered by solubility and potential-splitting issues. A "hybridized redox-asymmetry" method using a combination of organic and inorganic redox species is proposed and exemplified to overcome these two issues. Complexes 1(PF6)-6(PF6) (from short to long in length) with the organic redox-active amine and inorganic cyclometalated ruthenium termini bridged by the para-oligophenylene wire have been prepared. Complex 6 has the longest Ru-amine geometrical distance of 27.85 Å. Complexes 3(PF6) and 4(PF6) show lamellar crystal packing on the basis of a head-to-tail anti-parallelly aligned dimeric structure. Two redox waves are observed for all complexes in the potential region between +0.2 and +0.9 V vs Ag/AgCl. The electrochemical potential splitting is 410, 220, 143, 112, 107, and 105 mV for 1(PF6) through 6(PF6), respectively. Ruthenium (+2) to aminium (N(•+)) charge transfer transitions have been identified for the odd-electron compounds 1(2+)-6(2+) by spectroelectrochemical measurements. The electronic communication between amine and ruthenium decreases exponentially with a decay slope of -0.137 Å(-1). DFT calculations have been performed to complement these experimental results. PMID:26344929
High performance hybrid supercapacitors by using para-Benzoquinone ionic liquid redox electrolyte
NASA Astrophysics Data System (ADS)
Navalpotro, Paula; Palma, Jesús; Anderson, Marc; Marcilla, Rebeca
A solution of 0.4M para-Benzoquinone (p-BQ) in the ionic liquid N-butyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl) imide (PYR14TFSI) was used as a redox electrolyte in hybrid supercapacitors. Two carbons with very different textural properties, Pica carbon and Vulcan carbon, were used as electrode material. Electrochemical performance of these energy storage systems was investigated by cyclic voltammetry (CV) and galvanostatic charge-discharge (CD). Unlike SCs with pure IL electrolyte, new battery-like features appeared in the CV curves and CD profiles. This electrochemical performance, associated with the faradaic contribution of the redox electrolyte, results in a significant improvement of the electrochemical performance of the hybrid system. For Vulcan carbon with low specific surface area (SBET = 240 m2 g-1), specific capacitance (Cs) and specific real energy (Ereal) values as high as 70 Fg-1 and 10.3 WhKg-1 were obtained at 5 mAcm-2 with hybrid SC operating at 3 V. This represents an increment of 300% in Cs and Ereal with respect to the SC based on pure PYR14TFSI. For high surface area carbon such as Pica (SBET = 2410 m2g-1), the addition of the redox quinone molecule resulted in a moderate enhancement reaching values of 156 Fg-1 and 30 WhKg-1 under the same experimental conditions (36% and 10% increment, respectively).
Para-cresyl sulfate acutely impairs vascular reactivity and induces vascular remodeling.
Gross, Priscilla; Massy, Ziad A; Henaut, Lucie; Boudot, Cédric; Cagnard, Joanna; March, Cécilia; Kamel, Saïd; Drueke, Tilman B; Six, Isabelle
Chronic kidney disease (CKD) is characterized by vascular remodeling and the retention of uremic toxins, several of which are independently associated with the high cardiovascular mortality rate in CKD patients. Whether the association between these uremic toxins and cardiovascular mortality is due to induction of vascular dysfunction and resulting vascular remodeling remains to be determined. This study evaluates the effects of para-cresyl sulfate (PCS), a newly identified uremic toxin, on vascular function and remodeling. PCS acutely induced oxidative stress in both endothelial and vascular smooth muscle cells, with a maximal effect at 0.15 mM, corresponding to the mean "uremic" concentration found in dialysis patients. PCS significantly increased within 30 min phenylephrine-induced contraction of mouse thoracic aorta, through direct activation of rho-kinase, independently of oxidative stress induction, as demonstrated by the capacity of rho-kinase inhibitor Y-27632 to abolish this effect. After exposure of the aorta to PCS for 48 h, we observed inward eutrophic remodeling, a hallmark of uremic vasculopathy characterized by a reduction of the area of both lumen and media, with unchanged media/lumen ratio. In conclusion, elevated PCS concentrations such as those observed in CKD patients, by promoting both vascular dysfunction and vascular remodeling, may contribute to the development of hypertension and to cardiovascular mortality in CKD. PMID:25899466
Conformation of ionizable poly Para phenylene ethynylene in dilute solutions
Wijesinghe, Sidath; Maskey, Sabina; Perahia, Dvora; Grest, Gary S.
The conformation of dinonyl poly para phenylene ethynylenes (PPEs) with carboxylate side chains, equilibrated in solvents of different quality is studied using molecular dynamics simulations. PPEs are of interest because of their tunable electro-optical properties, chemical diversity, and functionality which are essential in wide range of applications. The polymer conformation determines the conjugation length and their assembly mode and affects electro-optical properties which are critical in their current and potential uses. The current study investigates the effect of carboxylate fraction on PPEs side chains on the conformation of chains in the dilute limit, in solvents of different quality. The dinonyl PPE chains are modeled atomistically, where the solvents are modeled both implicitly and explicitly. Dinonyl PPEs maintained a stretched out conformation up to a carboxylate fraction f of 0.7 in all solvents studied. The nonyl side chains are extended and oriented away from the PPE backbone in toluene and in implicit good solvent whereas in water and implicit poor solvent, the nonyl side chains are collapsed towards the PPE backbone. Thus, rotation around the aromatic ring is fast and no long range correlations are seen within the backbone.
Testicular toxicity of para-phenylenediamine after subchronic topical application in rat.
Bharali, Manuj Kr; Dutta, Karabi
Para-phenylenediamine (PPD) is a most widely used chemical in almost all hair dye formulations. The present experiment was conducted in order to assess the reproductive toxicity of PPD in male rats. After sub-chronic topical application of different doses (0, 1, 2 and 3 mg/kg/day) of PPD, the male albino rats exhibited significant decrease in the total sperm count (p<0.05, 0.01) with consistent decrease in the testicular weight (p<0.05), increase in the germ cell apoptosis indicated by cellular morphology as well as loss of germinal layer, sloughing of testicular cellular layers. Elevation of lipid peroxidation product in the testicular tissue indicated the potential oxidative stress that may be crucial in the induction of the apoptosis and further tissue injury in the PPD-treated rats. The study was designed to examine the testicular effect of 1% to 3% PPD which mimic the actual dosage available in most of the hair dying formulation. The possibilities of impaired testicular function after sub-chronic topical exposure to PPD on male rats have demonstrated. PMID:22149045
Hematopathology in Sprague-Dawley rats following sub-chronic topical application of para-phenylenediamine.
Bharali, Manuj Kr; Dutta, Karabi
The aim of the present study was to analyze the hematological profile of male SD rats treated topically with aqueous solution of para-phenylenediamine (PPD), a component of almost all hair dye formulations. The rats were painted with different concentration of PPD (0, 1, 2 and 3 mg Kg(-1) Day(-1)) for 90 days and then sacrificed. The hematological profile indicated severe anemia characterized by significant (p < 0.05, 0.001) reduction of total RBC count (59%), packed cell volume (PCV, 50%) and haemoglobin level (70%) in the peripheral blood of PPD treated animals when compared to control group. The leucocytes profile exhibited an overall elevation of around twofold as compared to the control group with significant lymphocytosis (44.4%) and a higher percentage of blast cells (8.5%) as well as smudge (10.3%) and hairy cells (6.2%) in the peripheral blood of treated animals. Histopathological examination of spleen from treated rat's exhibit red pulp congestion, expansion of the germinal centre, hyperplasia of the membrane capsule and extensive accumulation of hemosidderin pigments in the red pulp of the spleen. Overall this study indicated an abnormal pathophysiological condition indicating adverse effect of PPD in the treated animal groups. The risk assessment of hair dye formulation needs to be reviewed in view of widespread usage of paraphenylenediamine in almost all hair dye formulation. PMID:22886424
From clusters to fibers: Parameters for discontinuous para-hexaphenylene thin film growth
Kankate, Laxman; Balzer, Frank; Niehus, Horst; Rubahn, Horst-Guenter
All relevant steps of discontinuous thin film growth of para-hexaphenylene on muscovite mica (0 0 1) from wetting layer over small and large clusters to nanofibers are observed and investigated in detail by a combined polarized fluorescence and atomic force microscopy study. From a variation of film thickness and surface temperature, we determine effective activation energies for cluster growth of 0.17 eV, for nanofiber length growth of 0.46 eV, for width growth of 0.19 eV, and for height growth of 0.07 eV. The corresponding exponential prefactors for the nanofiber growth are 1x10{sup 9}, 6x10{sup 4}, and 3x10{sup 2} nm. Polarized fluorescence studies reveal that nanofibers grow along the grooves of the mica surface and that they do not change direction if they cross an even number of mica surface steps, while they change direction by 120 deg. for an odd number of steps. These results are taken as an input for a model of the unidirectional growth process on mica. Absolute parameters allowing one to grow nanofibers of predetermined morphology via organic molecular beam epitaxy are also given.
Origin of the low-energy emission band in epitaxially grown para-sexiphenyl nanocrystallites
Kadashchuk, A.; Schols, S.; Heremans, P.; Skryshevski, Yu.; Piryatinski, Yu.; Beinik, I.; Teichert, C.; Hernandez-Sosa, G.; Sitter, H.; Andreev, A.; Frank, P.; Winkler, A.
A comparative study of steady-state and time-resolved photoluminescence of para-sexiphenyl (PSP) films grown by organic molecular beam epitaxy (OMBE) and hot wall epitaxy (HWE) under comparable conditions is presented. Using different template substrates [mica(001) and KCl(001) surfaces] as well as different OMBE growth conditions has enabled us to vary greatly the morphology of the PSP crystallites while keeping their chemical structure virtually untouched. We prove that the broad redshifted emission band has a structure-related origin rather than being due to monomolecular oxidative defects. We conclude that the growth conditions and type of template substrate impacts substantially on the film morphology (measured by atomic force microscopy) and emission properties of the PSP films. The relative intensity of the defect emission band observed in the delayed spectra was found to correlate with the structural quality of PSP crystallites. In particular, the defect emission has been found to be drastically suppressed when (i) a KCl template substrate was used instead of mica in HWE-grown films, and (ii) in the OMBE-grown films dominated by growth mounds composed of upright standing molecules as opposed to the films consisting of crystallites formed by molecules lying parallel to the substrate.
Robotic Transperitoneal Infrarenal Para-Aortic Lymphadenectomy With Double Docking: Technique, Learning Curve, and Perioperative Outcomes.
Ponce, Jordi; Barahona, Marc; Pla, Maria Jesus; Rovira, Jordi; Garcia-Tejedor, Amparo; Gil-Ibanez, Blanca; Gaspar, Hugo Manuel; Sabria, Enric; Bartolomé, Carlos; Marti, Lola
Para-aortic lymphadenectomy (PAL) is a challenging procedure performed by minimally invasive surgery in very few centers, owing to its intrinsic technical complexity. We describe and assess the feasibility and learning curve of robotic double-docking transperitoneal infrarenal PAL combined with oncological pelvic surgery. Fifty patients who underwent this procedure using the Da Vinci S surgical system between March 2010 and May 2013 were included. The mean operating time for PAL surgery was 76 minutes (range, 32-150 minutes), and the mean number of lymph nodes per patient was 11.8 (range, 1-44). There were no conversions to laparotomy or laparoscopy. The mean length of hospital stay was 2 days (range, 1-25 days). Statistically significant decreases were noted for mean table rotation time (17 ± 6.8 minutes vs 13 ± 3.6 minutes; p = .02) and mean PAL operating time (85.4 ± 25.8 minutes vs 69.8 ± 24.6 minutes; p = .04) when comparing the first 20 patients and the last 30 patients. The number of nodes was similar in the first 20 patients and last 30 patients. The double-docking transperitoneal infrarenal PAL technique combined with oncological pelvic surgery is feasible, with minimal morbidity and a short learning curve. PMID:26898894
Clinical and experimental aspects of allergic contact dermatitis to para-phenylenediamine.
McFadden, John P; Yeo, Lyndsey; White, Jonathan L
The allergenicity of para-phenylenediamine (PPD) is related to oxidative processes on and in the skin. Patients with stronger reactions to PPD are significantly more likely to have a clear history of reacting to normal consumer hair dye. Those with stronger reactions are much less likely to be still dyeing their hair. Individuals allergic to PPD have a significant frequency of simultaneous sensitivity to chemically related clothing dyes. A 24-hour test application of hair dye, which has been proposed as a self-screen, does not reliably predict all individuals allergic to PPD. Duration studies have proven that exposures of 5 to 30 minutes, the period used for hair dyeing, are sufficient to elicit reactions. A significant rise in the frequency of PPD allergy was observed over 7 years among our patch test population. Active sensitization from standard PPD patch testing is not common. Immunologic findings relating to PPD can correctly predict that if hair dyes are commonly used there will be a significant prevalence of allergy to PPD among the normal adult population and that some clinical reactions will be severe. To protect the public from allergy to chemicals in consumer products, immunologic and epidemiologic data should both be used by regulatory authorities. PMID:21496741
Selective para hydroxylation of phenol and aniline by singlet molecular oxygen.
Briviba, K; Devasagayam, T P; Sies, H; Steenken, S
Phenol reacts with singlet oxygen (1O2) generated in aqueous solution (H2O or D2O) by (a) the exposure of methylene blue to light or (b) the thermal dissociation of the endoperoxide of 3,3'-(1,4-naphthylidene)dipropionate to lead selectively to hydroquinone as the primary product. The other isomers of phenol hydroxylation, catechol and resorcinol, were not observed. In agreement with the involvement of 1O2 as the reactive species in the hydroxylation, in D2O the yield of hydroquinone is 7 times that in H2O, and the 1O2 quenchers azide and the thiols, glutathione and dithiothreitol, suppress the production of hydroquinone. In contrast, the hydroxyl radical scavengers, tert-butyl alcohol, propanol, or sodium formate, are without effect. In a follow-up reaction, hydroquinone is converted into benzoquinone. Reaction of 1O2 with aniline leads to the selective formation of 4-hydroxyaniline as the initial product. This is further converted to hydroquinone with formation of ammonia (deamination), and then to benzoquinone. On the basis of these results, the selective para hydroxylation of phenol or aniline may be used as an indicator for the involvement of singlet oxygen as compared to .OH radical- or cytochrome P450-mediated reactions. PMID:8374055
Hyperfine excitation of CN by para- and ortho-H2
NASA Astrophysics Data System (ADS)
Kalugina, Yulia; Lique, François
Among the interstellar molecules, the CN radical is of particular interest since it is a good probe of cold dark molecular clouds, and especially prestellar cores. Modelling of CN emission spectra from these dense molecular clouds requires the calculation of rate coefficients for excitation by collisions with the most abundant species. We calculate fine- and hyperfine-structure-resolved excitation rate coefficients of CN(X2Σ+) by para- and ortho-H2. The calculations are based on a new potential energy surface obtained recently from highly correlated ab initio calculations. State-to-state rate coefficients between fine and hyperfine levels of CN were calculated for low temperatures ranging from 5 to 100 K. The new results are compared to available CN rate coefficients. Significant differences are found between the different sets of rate coefficients. This comparison shows that the new CN-H2 rate coefficients have to be used for observations interpretations. We expect that their use will help significantly to have a new insight into the physical conditions of prestellar cores.
Geochemical and isotopic constraints on the tectonic setting of Serra dos Carajas belt, eastern Para, Brazil
NASA Technical Reports Server (NTRS)
Olszewski, W. J., Jr.; Gibbs, A. K.; Wirth, K. R.
The lower part of the Serra dos Carajas belt is the metavolcanic and metasedimentary Grao para Group (GPG). The GPG is thought to unconformably overlie the older (but undated) Xingu Complex, composed of medium and high-grade gneisses and amphibolite and greenstone belts. The geochemical data indicate that the GPG has many features in common with ancient and modern volcanic suites erupted through continental crust. The mafic rocks clearly differ from those of most Archean greenstone belts, and modern MORB, IAB, and hot-spot basalts. The geological, geochemical, and isotopic data are all consistent with deposition on continental crust, presumably in a marine basin formed by crustal extension. The isotopic data also suggest the existence of depleted mantle as a source for the parent magmas of the GPG. The overall results suggest a tectonic environment, igneous sources, and petrogenesis similar to many modern continental extensional basins, in contrast to most Archean greenstone belts. The Hammersley basin in Australia and the circum-Superior belts in Canada may be suitable Archean and Proterozoic analogues, respectively.
Epidemiology of snakebite accidents in the municipalities of the state of Paraíba, Brazil.
Leite, Renner de Souza; Targino, Isabely Tamarys Gomes; Lopes, Ysabel Arianne Cordeiro Ferreira; Barros, Rafaella Moreno; Vieira, Alecxandro Alves
Accidents involving venomous animals represent an important, albeit neglected, public health issue worldwide. A descriptive study was made of snakebite cases attended and recorded between 2007 and 2010 in the health units of the municipalities of Cariri, State of Paraíba, northeastern Brazil. Data was collected from the Injury Notification Information System data banks of the Health Ministry and a total of 351 records of snakebite victims were reviewed. Victims were predominantly male farm workers over 50. The highest incidence of snakebites occurred in rural areas, between April and June of 2007 and 2010. Snakes of the genus Bothrops were responsible for most cases, and victims were mostly bitten on the feet. The majority of the victims received medical assistance within 1 to 3 hours after being bitten. The most common clinical manifestations were pain, edema and ecchymosis, which were mainly classified as mild or moderate. Two deaths were reported. It was concluded that there is a significant impact of seasonality in snakebites, the prevalence of attacks caused by Bothrops, affecting the lower limbs of adult male farmers in rural areas. The findings of this study may contribute to identify the conditions that increase the risk of snake attacks in the northeastern region. PMID:23670475
Epidemiology of bee stings in Campina Grande, Paraíba state, Northeastern Brazil
Background The present study aims to investigate the clinical-epidemiological characteristics of bee sting cases recorded between 2007 and 2012 in the city of Campina Grande, Paraíba state, Brazil. Data were collected from the database of the Injury Notification Information System of the Brazilian Ministry of Health. Results A total of 459 bee sting cases were retrospectively analyzed. The average annual incidence was 19 cases per 100,000 inhabitants. Cases were distributed in all months of the year, with higher prevalence in September and February. Most victims were men aged between 20 and 29 years. The highest incidence of cases was recorded in urban areas. Victims were stung mainly on the head and torso and received medical assistance predominantly 1 to 3 hours after being stung. The most frequent clinical manifestations were pain, edema and itching. Most cases were classified as mild, and three deaths were reported. Conclusions The high incidence of envenomations provoked by bees in Campina Grande suggests that it may be an important risk area for accidents. Since several medical records lacked information, clinical-epidemiological profile of bee sting cases in the studied region could not be accurately determined. The current study provides relevant data for the development of strategies to promote control and prevention of bee stings in this area. Further training for health professionals seems to be necessary to improve their skills in recording clinical-epidemiological information as well as in treating bee sting victims. PMID:24694193
RNA editing of the Drosophila para Na(+) channel transcript. Evolutionary conservation and developmental regulation.
Hanrahan, C J; Palladino, M J; Ganetzky, B; Reenan, R A
Post-transcriptional editing of pre-mRNAs through the action of dsRNA adenosine deaminases results in the modification of particular adenosine (A) residues to inosine (I), which can alter the coding potential of the modified transcripts. We describe here three sites in the para transcript, which encodes the major voltage-activated Na(+) channel polypeptide in Drosophila, where RNA editing occurs. The occurrence of RNA editing at the three sites was found to be developmentally regulated. Editing at two of these sites was also conserved across species between the D. melanogaster and D. virilis. In each case, a highly conserved region was found in the intron downstream of the editing site and this region was shown to be complementary to the region of the exonic editing site. Thus, editing at these sites would appear to involve a mechanism whereby the edited exon forms a base-paired secondary structure with the distant conserved noncoding sequences located in adjacent downstream introns, similar to the mechanism shown for A-to-I RNA editing of mammalian glutamate receptor subunits (GluRs). For the third site, neither RNA editing nor the predicted RNA secondary structures were evolutionarily conserved. Transcripts from transgenic Drosophila expressing a minimal editing site construct for this site were shown to faithfully undergo RNA editing. These results demonstrate that Na(+) channel diversity in Drosophila is increased by RNA editing via a mechanism analogous to that described for transcripts encoding mammalian GluRs. PMID:10880477
Role of pelvic and para-aortic lymphadenectomy in endometrial cancer: Current evidence
Bogani, Giorgio; Dowdy, Sean C.; Cliby, William A.; Ghezzi, Fabio; Rossetti, Diego; Mariani, Andrea
The aim of the present review is to summarize the current evidence on the role of pelvic and para-aortic lymphadenectomy in endometrial cancer. In 1988, the International Federation of Obstetrics and Gynecology recommended surgical staging for endometrial cancer patients. However, 25 years later, the role of lymph node dissection remains controversial. Although the findings of two large independent randomized trials suggested that pelvic lymphadenectomy provides only adjunctive morbidity with no clear influence on survival outcomes, the studies have many pitfalls that limit interpretation of the results. Theoretically, lymphadenectomy may help identify patients with metastatic dissemination, who may benefit from adjuvant therapy, thus reducing radiation-related morbidity. Also, lymphadenectomy may eradicate metastatic disease. Because lymphatic spread is relatively uncommon, our main effort should be directed at identifying patients who may potentially benefit from lymph node dissection, thus reducing the rate of unnecessary treatment and associated morbidity. This review will discuss the role of lymphadenectomy in endometrial cancer, focusing on patient selection, extension of the surgical procedure, postoperative outcomes, quality of life and costs. The need for new surgical studies and efficacious systemic drugs is recommended. PMID:24472047
Critical point of a para-ferrimagnetic phase transition of the ANNNI model in a field
NASA Astrophysics Data System (ADS)
Sznajd, J.
The finite field para-ferrimagnetic phase transition in the axial next-nearest-neighbor Ising (ANNNI) model is studied by using the linear perturbation real space renormalization group transformation. The method is examined in systems of ferromagnetic and antiferromagnetic Ising chains coupled by ferromagnetic interactions in the longitudinal field. As one would expect, the external field in the first case destroys the continuous phase transition and in the second shifts the critical point toward a lower temperature according to the square law. For the ferromagnetic chains coupled by the competing interchain nearest-neighbor J1 < 0 and next-nearest-neighbor J2 < 0 interactions, the external field changes the character of the phase transition from continuous to discontinuous. However, it has been found that for the ratio J2/J1 around 0.5 there is a critical value of the field for which an isolated critical point exists. The temperature dependences of the specific heat for several values of J2/J1 and the external field are presented.
A method to obtain a well-defined fraction of respirable para-aramid fibers.
Schins, R P; Gaudichet, A; Jaurand, M C
We developed a preparation method to obtain respirable-sized fractions of para-aramid fibers. The procedure, based on floatability, consists of stirring and subsequent settling of p-aramid pulp in distilled water. Two distinct phases are obtained, with small fibers in the upper part of the suspension, which represents about 33% of the total volume. Optimal results were obtained when 2.0 g pulp was stirred for 15 hr in 800 ml distilled water containing 0.125% ethanol and settled for 5 hr. The mass yield ranged between 0.4 and 0.6%, more than 90% of the particles had an aspect ratio > or = 3:1. The mean fiber length was about 6 microns, and the mean fiber diameter was about 0.4 microns as determined by transmission and scanning electron microscopy. The number of fibers obtained was 4 x 10(6) fibers/micrograms under our standard conditions. Images p414-a Figure 1. Figure 2. Figure 3. PMID:8119251
Selective plasmon-driven catalysis for para-nitroaniline in aqueous environments
NASA Astrophysics Data System (ADS)
Cui, Lin; Wang, Peijie; Li, Yuanzuo; Sun, Mengtao
The plasmon-driven oxidation of amine (-NH2) groups and the reduction of nitro (-NO2) groups on a nanostructured metal surface in an aqueous environment have been reported experimentally and theoretically. The question of which process occurs first in the aqueous environment is an interesting question in the field of plasmon-related photochemistry. Para-nitroaniline (PNA), with both nitro (-NO2) and amine (-NH2) groups, is the best candidate for studying the priority of the plasmon-driven oxidation and the reduction reactions in an aqueous environment. Using surface-enhanced Raman scattering (SERS) spectroscopy, our experimental results and theoretical simulations reveal that PNA is selectively catalyzed to 4,4‧-diaminoazobenzene (DAAB) through the plasmon-assisted dimerization of the nitro (-NO2) group into an azo group in an aqueous environment. This indicates that the plasmon-driven reduction of the nitro (-NO2) group clearly occurs before the oxidation of the amine (-NH2) group in an aqueous environment. The plasmon-driven reduction of PNA to DAAB is a selective surface catalytic reduced reaction in aqueous environment.
Para-Phenylenediamine Induces Apoptotic Death of Melanoma Cells and Reduces Melanoma Tumour Growth in Mice
Bhowmick, Debajit; Bhar, Kaushik; Mallick, Sanjaya K.; Das, Subhadip; Chatterjee, Nabanita; Sarkar, Tuhin Subhra; Chakrabarti, Rajarshi; Das Saha, Krishna; Siddhanta, Anirban
Melanoma is one of the most aggressive forms of cancer, usually resistant to standard chemotherapeutics. Despite a huge number of clinical trials, any success to find a chemotherapeutic agent that can effectively destroy melanoma is yet to be achieved. Para-phenylenediamine (p-PD) in the hair dyes is reported to purely serve as an external dyeing agent. Very little is known about whether p-PD has any effect on the melanin producing cells. We have demonstrated p-PD mediated apoptotic death of both human and mouse melanoma cells in vitro. Mouse melanoma tumour growth was also arrested by the apoptotic activity of intraperitoneal administration of p-PD with almost no side effects. This apoptosis is shown to occur primarily via loss of mitochondrial membrane potential (MMP), generation of reactive oxygen species (ROS), and caspase 8 activation. p-PD mediated apoptosis was also confirmed by the increase in sub-G0/G1 cell number. Thus, our experimental observation suggests that p-PD can be a potential less expensive candidate to be developed as a chemotherapeutic agent for melanoma. PMID:27293892
X-ray photoelectron spectroscopy study of para-substituted benzoic acids chemisorbed to aluminum oxide thin films
Kreil, Justin; Ellingsworth, Edward; Szulczewski, Greg
A series of para-substituted, halogenated (F, Cl, Br, and I) benzoic acid monolayers were prepared on the native oxide of aluminum surfaces by solution self-assembly and spin-coating techniques. The monolayers were characterized by x-ray photoelectron spectroscopy (XPS) and water contact angles. Several general trends are apparent. First, the polarity of the solvent is critical to monolayer formation. Protic polar solvents produced low coverage monolayers; in contrast, nonpolar solvents produced higher coverage monolayers. Second, solution deposition yields a higher surface coverage than spin coating. Third, the thickness of the monolayers determined from XPS suggests the plane of the aromatic ring is perpendicular to the surface with the carboxylate functional group most likely binding in a bidentate chelating geometry. Fourth, the saturation coverage (∼2.7 × 10{sup 14} molecules cm{sup −2}) is independent of the para-substituent.
Breaking the Barrier to Slow Water Exchange Rates for Optimal Magnetic Resonance Detection of paraCEST Agents.
Fernando, W Shirangi; Martins, André F; Zhao, Piyu; Wu, Yunkou; Kiefer, Garry E; Platas-Iglesias, Carlos; Sherry, A Dean
EuDOTA-tetraamide complexes as paraCEST agents offer an attractive platform for designing biological sensors and responsive agents. The early versions of these agents showed low sensitivity at temperature and power levels suitable for in vivo applications partly due to non-optimal water exchange rates. Here we report two new EuDOTA derivatives having glutamyl-phosphonate side arms that display the slowest water exchange rates of any other paraCEST agent reported so far. The advantages of such systems are demonstrated experimentally both in vitro and in vivo and DFT calculations were performed to help understand the physical-chemical reasons for this interesting behavior. PMID:26937683
The total neutron cross-section of an ortho-para mixture of gaseous hydrogen at 75K
NASA Astrophysics Data System (ADS)
Corradi, G.; Celli, M.; Rhodes, N.; Soper, A. K.; Zoppi, M.
From the data of a transmission experiment we have extracted the total neutron cross-section of a sample of gaseous hydrogen (T=75.03K, p=84.8bar, n=8.42nm-3) with a thermodynamic equilibrium ortho-para content (48% ortho, 52% para). The experiment was carried out on the PEARL instrument operating at the ISIS pulsed neutron source. After an accurate data reduction, the neutron spectra have been analyzed in the framework of the Modified Young and Koppel (MYK) theory, which is a successful extension to interacting fluids of the original Young and Koppel model valid for a dilute gas of hydrogen molecules. The total cross-section calculated with MYK theory, whose unique unknown parameter-the mean kinetic energy of the molecular centre of mass-was obtained through an independent path integral Monte Carlo simulation, shows a satisfactory agreement with the experimental results.
Significado de los cambios en el cuello uterino: Guía para la salud de la mujer
Explica qué es la infección por el VPH; los exámenes de detección del cáncer de cuello uterino, entre ellos la prueba de Pap, la prueba del VPH y la prueba conjunta de Pap y del VPH; las pautas para los exámenes de detección; los posibles resultados de la
Vanadium-catalyzed oxidative Strecker reaction: α-C–H cyanation of para-methoxyphenyl (PMP)-protected primary amines
Zhu, Chen; Xia, Ji-Bao; Chen, Chuo
We describe an oxidative Strecker reaction that allows for direct cyanation of para-methoxyphenyl (PMP)-protected primary amines. A vanadium(V) complex was used as the catalyst and TBHP as the oxidant. The cyanation occurs at the α-C position bearing either an alkyl or an aromatic group. This method provides a direct access to α-aminonitrile from amines with one-carbon extension. PMID:24415804
Luminescent properties of europium(III) and terbium(III) complexes with para- and ortho-ethoxybenzoic acids
NASA Astrophysics Data System (ADS)
Panyushkin, V. T.; Mutuzova, M. Kh.; Shamsutdinova, M. Kh.
The luminescent properties of europium(III) and terbium(III) complexes with para- and ortho-ethoxybenzoic acids are studied. The excitation energies of the triplet states of ligands are determined, a hypothesis is made about the efficient luminescence of europium(III) and terbium(III) complexes, the geometry of the coordination polyhedron of a europium complex is established, and the luminescence quantum yields of the complexes in solution are determined.
The vitamin-like dietary supplement para-aminobenzoic acid enhances the antitumor activity of ionizing radiation
Xavier, Sandhya; MacDonald, Shannon; Roth, Jennifer; Caunt, Maresa; Akalu, Abebe; Morais, Danielle; Buckley, Michael T.; Liebes, Leonard; Formenti, Silvia C.; Brooks, Peter C. . E-mail: firstname.lastname@example.com
Purpose: To determine whether para-aminobenzoic acid (PABA) alters the sensitivity of tumor cells to ionizing radiation in vitro and in vivo. Methods and Materials: Cellular proliferation was assessed by WST-1 assays. The effects of PABA and radiation on tumor growth were examined with chick embryo and murine models. Real-time reverse transcriptase-polymerase chain reaction and Western blotting were used to quantify p21{sup CIP1} and CDC25A levels. Results: Para-aminobenzoic acid enhanced (by 50%) the growth inhibitory activity of radiation on B16F10 cells, whereas it had no effect on melanocytes. Para-aminobenzoic acid enhanced (50-80%) the antitumor activity of radiation on B16F10 and 4T1 tumors in vivo. The combination of PABA and radiation therapy increased tumor apoptosis. Treatment of tumor cells with PABA increased expression of CDC25A and decreased levels of p21{sup CIP1}. Conclusions: Our findings suggest that PABA might represent a compound capable of enhancing the antitumor activity of ionizing radiation by a mechanism involving altered expression of proteins known to regulate cell cycle arrest.
Comparison of photoinduced reorientation of ortho-, meta-, and para-methyl red-doped nematic liquid crystals on rubbed polyimide.
Statman, David; Statman, Ariel T; Wozniak, Kaitlin; Brennan, Christopher
We compare the photoinduced reorientation of the easy axis on rubbed polyimide surfaces for the nematic E7 doped with three isomers of methyl red; ortho, meta, and para. Using optical techniques, the angle and the pitch of the director at the polymer surface were measured before, during, and after photoexcitation of the dye. Optical absorbances were also measured before and after photoexcitation. Extrapolation lengths, hence anchoring energies, were determined with the on/off application of a magnetic field for meta- and para-methyl red-doped nematics. Because of an elastic reorientation of the easy axis in the presence of the magnetic field, we could not determine the extrapolation length of the ortho-methyl red-doped nematic. Our results confirm that photoinduced reorientation is facilitated by desorption of all dyes from the polymer surface. While there is little evidence of weak photoinduced adsorption of meta- and para-methyl red to the surface during photoexcitation, there is strong evidence of photoinduced adsorption of ortho-methyl red, which is long lasting. PMID:26382419
Comparison of photoinduced reorientation of ortho-, meta-, and para-methyl red-doped nematic liquid crystals on rubbed polyimide
NASA Astrophysics Data System (ADS)
Statman, David; Statman, Ariel T.; Wozniak, Kaitlin; Brennan, Christopher
We compare the photoinduced reorientation of the easy axis on rubbed polyimide surfaces for the nematic E7 doped with three isomers of methyl red; ortho, meta, and para. Using optical techniques, the angle and the pitch of the director at the polymer surface were measured before, during, and after photoexcitation of the dye. Optical absorbances were also measured before and after photoexcitation. Extrapolation lengths, hence anchoring energies, were determined with the on/off application of a magnetic field for meta- and para-methyl red-doped nematics. Because of an elastic reorientation of the easy axis in the presence of the magnetic field, we could not determine the extrapolation length of the ortho-methyl red-doped nematic. Our results confirm that photoinduced reorientation is facilitated by desorption of all dyes from the polymer surface. While there is little evidence of weak photoinduced adsorption of meta- and para-methyl red to the surface during photoexcitation, there is strong evidence of photoinduced adsorption of ortho-methyl red, which is long lasting.
Developmental validation of the ParaDNA(®) Intelligence System-A novel approach to DNA profiling.
Blackman, Stephen; Dawnay, Nick; Ball, Glyn; Stafford-Allen, Beccy; Tribble, Nicholas; Rendell, Paul; Neary, Kelsey; Hanson, Erin K; Ballantyne, Jack; Kallifatidis, Beatrice; Mendel, Julian; Mills, DeEtta K; Wells, Simon
DNA profiling through the analysis of STRs remains one of the most widely used tools in human identification across the world. Current laboratory STR analysis is slow, costly and requires expert users and interpretation which can lead to instances of delayed investigations or non-testing of evidence on budget grounds. The ParaDNA(®) Intelligence System has been designed to provide a simple, fast and robust way to profile DNA samples in a lab or field-deployable manner. The system analyses 5-STRs plus amelogenin to deliver a DNA profile that enables users to gain rapid investigative leads and intelligent prioritisation of samples in human identity testing applications. Utilising an innovative sample collector, minimal training is required to enable both DNA analysts and nonspecialist personnel to analyse biological samples directly, without prior processing, in approximately 75min. The test uses direct PCR with fluorescent HyBeacon(®) detection of STR allele lengths to provide a DNA profile. The developmental validation study described here followed the Scientific Working Group on DNA Analysis Methods (SWGDAM) guidelines and tested the sensitivity, reproducibility, accuracy, inhibitor tolerance, and performance of the ParaDNA Intelligence System on a range of mock evidence items. The data collected demonstrate that the ParaDNA Intelligence System displays useful DNA profiles when sampling a variety of evidence items including blood, saliva, semen and touch DNA items indicating the potential to benefit a number of applications in fields such as forensic, military and disaster victim identification (DVI). PMID:25980941
Importance of the Anchor Group Position (Para versus Meta) in Tetraphenylmethane Tripods: Synthesis and Self-Assembly Features.
Lindner, Marcin; Valášek, Michal; Homberg, Jan; Edelmann, Kevin; Gerhard, Lukas; Wulfhekel, Wulf; Fuhr, Olaf; Wächter, Tobias; Zharnikov, Michael; Kolivoška, Viliam; Pospíšil, Lubomír; Mészáros, Gábor; Hromadová, Magdaléna; Mayor, Marcel
The efficient synthesis of tripodal platforms based on tetraphenylmethane with three acetyl-protected thiol groups in either meta or para positions relative to the central sp(3) carbon for deposition on Au (111) surfaces is reported. These platforms are intended to provide a vertical arrangement of the substituent in position 4 of the perpendicular phenyl ring and an electronic coupling to the gold substrate. The self-assembly features of both derivatives are analyzed on Au (111) surfaces by low-temperature ultra-high-vacuum STM, high-resolution X-ray photoelectron spectroscopy, near-edge X-ray absorption fine structure spectroscopy, and reductive voltammetric desorption studies. These experiments indicated that the meta derivative forms a well-ordered monolayer, with most of the anchoring groups bound to the surface, whereas the para derivative forms a multilayer film with physically adsorbed adlayers on the chemisorbed para monolayer. Single-molecule conductance values for both tripodal platforms are obtained through an STM break junction experiment. PMID:27505302
Experimental and computational studies on the formation of three para-benzyne analogues in the gas phase.
Kirkpatrick, Lindsey M; Vinueza, Nelson R; Jankiewicz, Bartłomiej J; Gallardo, Vanessa A; Archibold, Enada F; Nash, John J; Kenttämaa, Hilkka I
Experimental and computational studies on the formation of three gaseous, positively-charged para-benzyne analogues in a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer are reported. The structures of the cations were examined by isolating them and allowing them to react with various neutral reagents whose reactions with aromatic carbon-centered σ-type mono- and biradicals are well understood. Cleavage of two iodine-carbon bonds in N-deuterated 1,4-diiodoisoquinolinium cation by collision-activated dissociation (CAD) produced a long-lived cation that showed nonradical reactivity, which was unexpected for a para-benzyne. However, the reactivity closely resembles that of an isomeric enediyne, N-deuterated 2-ethynylbenzonitrilium cation. A theoretical study on possible rearrangement reactions occurring during CAD revealed that the cation formed upon the first iodine atom loss undergoes ring-opening before the second iodine atom loss to form an enediyne instead of a para-benzyne. Similar results were obtained for the 5,8-didehydroisoquinolinium cation and the 2,5-didehydropyridinium cation. The findings for the 5,8-didehydroisoquinolinium cation are in contradiction with an earlier report on this cation. The cation described in the literature was regenerated by using the literature method and demonstrated to be the isomeric 5,7-didehydro-isoquinolinium cation and not the expected 5,8-isomer. PMID:23703949
Antibacterial activity of sulfamethoxazole transformation products (TPs): general relevance for sulfonamide TPs modified at the para position.
Majewsky, Marius; Wagner, Danny; Delay, Markus; Bräse, Stefan; Yargeau, Viviane; Horn, Harald
Sulfonamide antibiotics undergo transformation in the aquatic environment through biodegradation, photolysis, or hydrolysis. In this study, the residual antibacterial activity of 11 transformation products (TPs) of sulfamethoxazole (SMX) was investigated with regard to their in vitro growth and luminescence inhibition on Vibrio fischeri (30 min and 24 h exposure). Two transformation products, 4-hydroxy-SMX and N(4)-hydroxy-acetyl-SMX, were synthesized in-house and confirmed by nuclear magnetic resonance and high-resolution mass spectrometry. Results of individual compound experiments showed that TPs modified at the para amino group still exhibit clear antibacterial effects, whereas TPs resulting from breakdown of the SMX structure lost this mechanism of action. 4-NO2- and 4-OH-SMX were found to inhibit growth to a clearly greater extent than the parent compound, SMX. In contrast, the N(4)-acetyl- and N(4)-hydroxy-acetyl-derivatives retain less than 10 and 5% of the effect of SMX on growth and luminescence inhibition, respectively. The effect of a mixture of para-modified TPs was observed to be additive. Considering the homologous series of sulfa drugs widely prescribed and their common mechanism of action, the potential environmental impact must consider the total amount of sulfonamide antibiotics and their derivative TPs, which might end up in a water body. Extrapolating the results obtained here for the para TPs of SMX to other sulfa drugs and determining the persistence and occurrence of these compounds in the aquatic environment is required for improved risk assessment. PMID:25211553
High-strength poly(para-phenylene) as an orthopedic biomaterial.
Frick, Carl P; DiRienzo, Amy L; Hoyt, Anthony J; Safranski, David L; Saed, Mohand; Losty, Eric J; Yakacki, Christopher M
Poly(para-phenylene) (PPP) exhibits exceptional mechanical strength, stiffness, toughness, and chemical inertness, although it is not currently used in any biomedical applications. The purpose of this study is to serve as a preliminary investigation into the potential of PPP as a biomaterial in orthopedic load-bearing applications. Nuclear magnetic resonance (NMR) analysis confirmed a polymer structure composed of an aromatic backbone and side groups. Tensile PPP specimens along with samples from several other polymers often used for orthopedic applications were elongated to failure after being soaked in phosphate buffered saline (PBS) for 1 h, 1 day, 1 week, 2 weeks, 1 month, and more than 1 year. Results showed that PBS absorption of the PPP plateaued at 1 week at values of ∼0.7 wt % and remained within one standard deviation when soaked for over 1 year. PBS absorption did not affect elastic modulus (5.0 GPa), yield strength (141 MPa), fracture strength (120 MPa) and strain-to-failure (17%) more than one standard deviation. Zero-to-tension fatigue testing established an endurance limit of approximately 35 MPa, which was relatively insensitive to frequency (1-10 Hz). Eagle's minimum essential medium (MEM) elution assay with fibroblasts confirmed that the PPP was noncytotoxic. Relative to other polymers used for load-bearing biomedical applications, PPP displays promising mechanical properties that remain stable in aqueous solution. Lastly, prototype PPP and polyetheretherketone (PEEK) bone plates were manufactured and tested, with the PPP plate showing a 38% higher maximum tensile load before failure. PMID:24123879
Long-term health-enhancing physical activity in rheumatoid arthritis - the PARA 2010 study
Background People with rheumatoid arthritis (RA) suffer increased risk of disability andpremature mortality. Health-enhancing physical activity (HEPA) could be one importantfactor to reduce this risk. Rising health care costs call for the development and evaluation ofnew modes of rehabilitation, including physical activity in settings outside the health caresystem. Methods/Design This cohort study targets 450 patients with RA that do not currently meet HEPA recommendations, recruited from six hospitals reporting to the Swedish Rheumatology Quality Registers (SRQ). We have developed a two-year real-life intervention program including a minimum of twice-weekly circuit training, moderately intense physical activity the remaining days of the week and group meetings to support behavior change every other week. Our hypothesis is that increased physical activity and exercise will improve perceived health, reduce pain and fatigue, increase muscle function and aerobic capacity, impact psychosocial factors and prevent future cardiovascular events. Research questions regard outcomes, retention rates, dose–response matters and the exploration of responder characteristics. This protocol outlines recruitment procedure, design, assessment methods and the intervention program of the study. Discussion The PARA 2010 project is designed to expand the knowledge on HEPA in RA by a progressive approach regarding population, setting, intervention, time frames and outcome measures. To our knowledge this is the first long-term HEPA program based on Social Cognitive Theory, and performed in a real life environment to demonstrate if this new setting can promote increased and maintained physical activity in people with RA. Trial registration number ISRCTN25539102 PMID:22656861
A structural and spectroscopic study on para-aminohippuric acid with experimental and theoretical approaches
NASA Astrophysics Data System (ADS)
Karabacak, Mehmet; Cinar, Zeliha; Cinar, Mehmet
In this work, the molecular conformation, vibrational and electronic analysis of para-aminohippuric acid (pAHA, C 9H 10N 2O 3) were presented for the ground state using experimental techniques (FT-IR, FT-Raman and UV) and density functional theory (DFT) employing B3LYP exchange correlation with the 6-311++G(d,p) basis set. FT-IR and FT-Raman spectra were recorded in the regions of 400-4000 cm -1 and 50-4000 cm -1, respectively. The UV absorption spectra of the compound that dissolved in ethanol and water solution were recorded in the range of 190-400 nm. Potential energy curve was computed by means of scanning NCC dbnd O torsion angle. The geometry optimization and the energies associated possible four conformers (C1-C4) were computed. The computational results diagnose the most stable conformer of pAHA as the C1 form. Optimized structure of compound was interpreted and compared with the earlier reported experimental values. The complete assignments of fundamental vibrations were performed on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method. A study on the electronic properties, such as frontier molecular energies, absorption wavelengths and oscillator strengths, were predicted by time-dependent DFT (TD-DFT) approach, while taking solvent effects into account. To investigate non-linear optical properties: polarizability, anisotropy of polarizability and molecular first hyperpolarizability of molecule were computed. Thermodynamic properties (heat capacity, entropy and enthalpy) of the title compound at different temperatures were calculated.
OV-Wav: um novo pacote para análise multiescalar em astronomia
NASA Astrophysics Data System (ADS)
Pereira, D. N. E.; Rabaça, C. R.
Wavelets e outras formas de análise multiescalar têm sido amplamente empregadas em diversas áreas do conhecimento, sendo reconhecidamente superiores a técnicas mais tradicionais, como as análises de Fourier e de Gabor, em certas aplicações. Embora a teoria dos wavelets tenha começado a ser elaborada há quase trinta anos, seu impacto no estudo de imagens astronômicas tem sido pequeno até bem recentemente. Apresentamos um conjunto de programas desenvolvidos ao longo dos últimos três anos no Observatório do Valongo/UFRJ que possibilitam aplicar essa poderosa ferramenta a problemas comuns em astronomia, como a remoção de ruído, a detecção hierárquica de fontes e a modelagem de objetos com perfis de brilho arbitrários em condições não ideais. Este pacote, desenvolvido para execução em plataforma IDL, teve sua primeira versão concluída recentemente e está sendo disponibilizado à comunidade científica de forma aberta. Mostramos também resultados de testes controlados ao quais submetemos os programas, com a sua aplicação a imagens artificiais, com resultados satisfatórios. Algumas aplicações astrofísicas foram estudadas com o uso do pacote, em caráter experimental, incluindo a análise da componente de luz difusa em grupos compactos de galáxias de Hickson e o estudo de subestruturas de nebulosas planetárias no espaço multiescalar.
Resveratrol and para-coumarate serve as ring precursors for coenzyme Q biosynthesis[S
Xie, Letian X.; Williams, Kevin J.; He, Cuiwen H.; Weng, Emily; Khong, San; Rose, Tristan E.; Kwon, Ohyun; Bensinger, Steven J.; Marbois, Beth N.; Clarke, Catherine F.
Coenzyme Q (Q or ubiquinone) is a redox-active polyisoprenylated benzoquinone lipid essential for electron and proton transport in the mitochondrial respiratory chain. The aromatic ring 4-hydroxybenzoic acid (4HB) is commonly depicted as the sole aromatic ring precursor in Q biosynthesis despite the recent finding that para-aminobenzoic acid (pABA) also serves as a ring precursor in Saccharomyces cerevisiae Q biosynthesis. In this study, we employed aromatic 13C6-ring-labeled compounds including 13C6-4HB, 13C6-pABA, 13C6-resveratrol, and 13C6-coumarate to investigate the role of these small molecules as aromatic ring precursors in Q biosynthesis in Escherichia coli, S. cerevisiae, and human and mouse cells. In contrast to S. cerevisiae, neither E. coli nor the mammalian cells tested were able to form 13C6-Q when cultured in the presence of 13C6-pABA. However, E. coli cells treated with 13C6-pABA generated 13C6-ring-labeled forms of 3-octaprenyl-4-aminobenzoic acid, 2-octaprenyl-aniline, and 3-octaprenyl-2-aminophenol, suggesting UbiA, UbiD, UbiX, and UbiI are capable of using pABA or pABA-derived intermediates as substrates. E. coli, S. cerevisiae, and human and mouse cells cultured in the presence of 13C6-resveratrol or 13C6-coumarate were able to synthesize 13C6-Q. Future evaluation of the physiological and pharmacological responses to dietary polyphenols should consider their metabolism to Q. PMID:25681964
Taxas de eventos para as fontes astrofísicas do detector Mario Schenberg
NASA Astrophysics Data System (ADS)
Castro, C. S.; Araujo, J. C. N.; Miranda, O. D.; Aguiar, O. D.
O detector de ondas gravitacionais Mario Schenberg será sensível a sinais que cheguem à Terra com amplitude h~10-21 e dentro da faixa em frequências que varia de 3,0 a 3,4 kHz. As principais fontes astrofísicas em condições de gerar um sinal detectável pela antena Schenberg são: colapsos estelares que produzam eventos do tipo supernova; instabilidades hidrodinâmicas em estrelas de nêutrons; excitação dos modos fluído (modos f) de estrelas de nêutrons; excitação dos primeiros modos quadrupolares de buracos negros com massa ~ 3,8 M¤; coalescências de estrelas de nêutrons e buracos negros em sistemas binários e, ainda, espiralações de mini-buracos negros. Neste trabalho nós determinamos as taxas de eventos para o Schenberg associadas a dois tipos de fontes: através da de-excitação dos modos f de estrelas de nêutrons e através da coalescência de mini-buracos negros de 0,5 M¤ (que atualmente têm sido colocados como possíveis candidatos a objetos massivos do halo Galáctico). Nós mostramos que esses tipos de fontes poderão produzir sinais em ondas gravitacionais com uma taxa em torno de um evento por ano dentro da banda do Schenberg.
Introduccion a la hidraulica de aguas subterraneas : un texto programado para auto-ensenanza
Bennett, Gordon D.
Este ' texto programado esta diseflado para ayudarle a comprender la teoria de la hidniulica de aguas subterraneas por medio de la auto-enseflanza. La instrucci6n programada es un enfoque a una materia, un metodo de aprender;que no elimina el esfuerzo mental del proceso de aprendizaje. Algunas secciones de este programa necesitan solamente ser leidas; otras tendrian que ser elaboradas con lapiz y papel. Algunas preguntas pueden ser contestadas directamente; otras requieren calculos. A medida que se avanza en el texto, tendra que consultar frecuentemente textos o referencias sobre matematicas, mecanica de fluidos e hidrologia. En cada una de las ocho partes del texto, inicie el programa de instrucci6n leyendo la Secci6n 1. Elija una respuesta a la pregunta al final de la secci6n y dirijase a la nueva secci6n indicada al lado de la respuesta escogida. Si su respuesta fue correcta, pase a la secci6n que contiene materia nueva y otra pregunta, y proceda tal como en la Secci6n 1. Si su respuesta no fue correcta, dirijase a la secci6n que contiene explicaciones adicionales sobre el tema anterior y que le indica volver a la pregunta inicial e intentar de nuevo. En este caso, valdra Ia pena repasar el material de la secci6n anterior. Continue de esta man era en el programa hasta que llegue a Ia secci6n que indica el final de la parte. Observe que aunque las secciones estan en orden numerico en cada una de las ocho partes, por lo general, usted no procedeni en secuencia numerica (Secci6n 1 ala Secci6n 2, etc.) de principia a fin.
Origin of the bimodal island size distribution in ultrathin films of para-hexaphenyl on mica
NASA Astrophysics Data System (ADS)
Tumbek, L.; Gleichweit, C.; Zojer, K.; Winkler, A.
Ultrathin films of para-hexaphenyl (6P) were prepared on freshly cleaved and sputter-amorphized mica(001) by physical vapor deposition. Ex situ atomic force microscopy (AFM) revealed a bimodal island size distribution for the films on both surfaces. On freshly cleaved mica long needlelike islands exist, which are surrounded by small crystallites. On the sputter-amorphized substrates, large dendritic islands exist which are again surrounded by small, compact islands. We could prove by thermal desorption spectroscopy that the small islands are the result of adsorbate-induced subsequent nucleation, when the films were exposed to air. In case of the freshly cleaved mica, islands grow on a wetting layer in vacuum. This layer dewets and forms the small islands upon venting, due to the adsorption of water. In the case of the amorphous mica substrate an equilibrium exists between the islands and a two-dimensional gas phase in the sub-monolayer regime. Again, the latter phase nucleates after venting. In a particular coverage range, islands due to nucleation during deposition and subsequent nucleation coexist on the substrate, leading to the bimodal island size distribution. Kinetic Monte Carlo (KMC) simulations were performed to model the nucleation process after venting on the sputter-modified mica substrate. The density of the subsequently nucleated islands just depends on the initial coverage and the critical island size. A critical cluster size of i = 7 molecules was determined for 6P on amorphized mica, by comparing the KMC results with the AFM images in case of adsorbate-induced nucleation. Furthermore, the experimentally obtained island size distributions could be well reproduced by KMC simulations.
Liquid chromatographic determination of para-toluenesulfonamide in edible fillet tissues from three species of fish
Meinertz, J.R.; Schmidt, L.J.; Stehly, G.R.; Gingerich, W.H.
Chloramine-T (N-sodium-N-chloro-p-toluene-sulfonamide) is a candidate therapeutic drug for treating bacterial gill disease, a predominant disease of a variety of fish species. Research has been initiated to obtain the U.S. Food and Drug Administration's (FDA) approval for the use of chloramine-T on a variety of fish species. An attribute of a therapeutic aquaculture drug that must be characterized before the FDA approves its use is depletion of the drug's marker residue (the drug's parent compound or metabolite of highest concentration in an edible tissue). Para-Toluenesulfonamide (p-TSA) is the primary degradation product and marker residue for chloramine-T in rainbow trout. To conduct residue depletion studies for chloramine-T in fish, a robust analytical method sensitive and specific for p-TSA residues in edible fillet tissue from a variety of fish was required. Homogenized fillet tissues from rainbow trout (Oncorhynchus mykiss), walleye (Stizostedion vitreum), and channel catfish (Ictalurus punctatus) were fortified at nominal p-TSA concentrations of 17, 67, 200, 333, and 1000 ng/g. Samples were analyzed by isocratic reversed-phase liquid chromatography (LC) with absorbance detection at 226 nm. Mean recoveries of p-TSA ranged from 77 to 93.17%; relative standard deviations ranged from 1.5 to 14%; method quantitation limits ranged from 13 to 18 ng/g; and method detection limits ranged from 3.8 to 5.2 ng/g. The LC parameters produced p-TSA peaks without coelution of endogenous compounds and excluded chromatographic interference from at least 20 chemicals and drugs of potential use in aquaculture.
Low concentrations of Bisphenol A and para-Nonylphenol affect extravillous pathway of human trophoblast cells.
Spagnoletti, Antonella; Paulesu, Luana; Mannelli, Chiara; Ermini, Leonardo; Romagnoli, Roberta; Cintorino, Marcella; Ietta, Francesca
Bisphenol A (BPA) and para-Nonylphenol (p-NP) are chemicals of industrial origin which may influence human reproductive health. The effects of these substances in the prenatal life is an important topic that is receiving greater attention in the developed countries. In this study, human trophoblast cells HTR-8/SVneo were exposed to BPA and p-NP (1 × 10(-15), 1 × 10(-13), 1 × 10(-11), 1 × 10(-9) and 1 × 10(-7) M) and incubated for 24, 48 and/or 72 h then, examined for the main physiological processes which characterize the extravillous trophoblast. Cell proliferation showed no changes while the processes of cell migration and invasion were both reduced by BPA and p-NP. For each chemical, the activity was higher at lower concentrations with a maximum activity between 1 × 10(-13) and 1 × 10(-11) M (p < 0.05 for 1 × 10(-9) and p < 0.001 for 1 × 10(-11) M). Co-culture studies with human umbilical cord endothelial cells (HUVEC) revealed that trophoblast/endothelial interaction was significantly reduced by p-NP at 1 × 10(-11) M. Moreover, both chemicals were inducing differentiation of HTR-8/SVneo toward polyploidy by the process of endoreduplication. The estrogen-receptor antagonist ICI significantly reduced p-NP action, while it had no effect on BPA treated cells. In conclusion, p-NP and BPA act on trophoblast cells altering key physiological processes in placenta development. The exact mechanism of action of the chemicals in human trophoblast still needs to be clarified. PMID:26027920
Concordance study between the ParaDNA® Intelligence Test, a rapid DNA profiling assay, and a conventional STR typing kit (AmpFlSTR® SGM Plus®).
Ball, G; Dawnay, N; Stafford-Allen, B; Panasiuk, M; Rendell, P; Blackman, S; Duxbury, N; Wells, S
The ParaDNA® Intelligence Test enables STR profiling directly from human biological samples and evidence items collected from crime scene in 75min. Designed for non-expert use this system allows DNA information to be available to investigators before it would typically be available from a laboratory. The ParaDNA Intelligence Test system amplifies D3S1358, D8S119, D16S539, D18S1358 and TH01 STR loci and the gender typing locus amelogenin and detects the alleles present with HyBeacon® probes. Individual DNA samples from 381 UK Caucasian individuals were analysed using AmpFlSTR® SGM Plus® and the ParaDNA Intelligence Test with the derived STR profiles compared. Here we describe the high level of concordance demonstrated between the two systems and discuss this with reference to allele frequencies and the discriminatory power offered by the ParaDNA Intelligence Test. PMID:25528026
Energy Savers: Tips for Saving Energy and Money at Home; El Ahorro de Energa: Sugerencias para ahorrar energa y dinero en el hogar
Jones, J.
The Department of Energy of the United States of America works to guarantee provisions of safe energy, reliable and economically accessible to support to one developing economy and to protect the atmosphere. These suggestions and ideas to increase the energy efficiency in their house represent simple ways in which our citizens can contribute to preserve the atmosphere at world-wide level, to reduce the level of contamination of the air and to reserve our natural resources for future generations. [Spanish] El Departamento de Energa de los Estados Unidos de America trabaja para garantizar suministros de energa seguros, confiables y econmicamente accesibles para apoyar a una economa en desarrollo y proteger el medio ambiente. Estas sugerencias e ideas para aumentar la eficiencia energetica en su casa representan maneras sencillas en que nuestros ciudadanos pueden contribuir a preservar el medio ambiente a nivel mundial, a reducir el nivel de contaminacin del aire y a reservar nuestros recursos naturales para las generaciones futuras.
Deposition, clearance, and shortening of Kevlar para-aramid fibrils in acute, subchronic, and chronic inhalation studies in rats.
Kelly, D P; Merriman, E A; Kennedy, G L; Lee, K P
The deposition and clearance of lung-deposited Kevlar para-aramid fibrils (subfibers) have been investigated as part of a subchronic and chronic inhalation toxicity testing program. Fibrils recovered from lung tissue in para-aramid-exposed Sprague-Dawley rats were microscopically counted and measured after exposures to airborne fibrils which were about 12 microns median length (ML) and < 0.3 micron median diameter. In each of three studies lung-recovered fibrils were progressively shorter with increasing residence time in the lungs. Twenty-eight days after a single 6-hr exposure at 400 respirable fibrils per cubic centimeter (f/cm3) the ML of recovered fibrils decreased to about 5 microns. Twenty-four months after a 3-week exposure to 25 or 400 f/cm3, fibrils reached about 2 microns ML. After 2 years of continuous exposure at 2.5, 25, or 100 f/cm3 or 1 year exposure plus 1 year recovery at 400 f/cm3, fibril ML approached 4 microns. In the 2-year study, the lung-fiber accumulation rate/exposure concentration was similar for the three highest concentrations and was about 3 x greater than that seen at 2.5 f/cm3, indicating that concentrations of about 25 f/cm3 or more may overwhelm clearance mechanisms. Time required for fibrils to be reduced to < 5 microns in the lung was markedly less at lower exposure concentration and shorter exposure time. The primary shortening mechanism is proposed to be long fibril cutting by enzymatic attack at fibril defects. However, length-selective fibril deposition and clearance may contribute to shortening in the first few days after exposure. The enzymatic cutting hypothesis is supported by measured increases in numbers of short fibers following cessation of exposures, continued shortening of the fibril length distribution up to 2 years following exposure, and in vitro fibril shortening after 3 months in a proteolytic enzyme preparation. The conclusion is that para-aramid fibrils are less durable in the lungs of rats than expected from
Challenges in preparing, preserving and detecting para-water in bulk: overcoming proton exchange and other hurdles.
Mammoli, Daniele; Salvi, Nicola; Milani, Jonas; Buratto, Roberto; Bornet, Aurélien; Sehgal, Akansha Ashvani; Canet, Estel; Pelupessy, Philippe; Carnevale, Diego; Jannin, Sami; Bodenhausen, Geoffrey
Para-water is an analogue of para-hydrogen, where the two proton spins are in a quantum state that is antisymmetric under permutation, also known as singlet state. The populations of the nuclear spin states in para-water are believed to have long lifetimes just like other Long-Lived States (LLSs). This hypothesis can be verified by measuring the relaxation of an excess or a deficiency of para-water, also known as a "Triplet-Singlet Imbalance" (TSI), i.e., a difference between the average population of the three triplet states T (that are symmetric under permutation) and the population of the singlet state S. In analogy with our recent findings on ethanol and fumarate, we propose to adapt the procedure for Dissolution Dynamic Nuclear Polarization (D-DNP) to prepare such a TSI in frozen water at very low temperatures in the vicinity of 1.2 K. After rapid heating and dissolution using an aprotic solvent, the TSI should be largely preserved. To assess this hypothesis, we studied the lifetime of water as a molecular entity when diluted in various solvents. In neat liquid H2O, proton exchange rates have been characterized by spin-echo experiments on oxygen-17 in natural abundance, with and without proton decoupling. One-dimensional exchange spectroscopy (EXSY) has been used to study proton exchange rates in H2O, HDO and D2O mixtures diluted in various aprotic solvents. In the case of 50 mM H2O in dioxane-d8, the proton exchange lifetime is about 20 s. After dissolving, one can observe this TSI by monitoring intensities in oxygen-17 spectra of H2O (if necessary using isotopically enriched samples) where the AX2 system comprising a "spy" oxygen A and two protons X2 gives rise to binomial multiplets only if the TSI vanishes. Alternatively, fast chemical addition to a suitable substrate (such as an activated aldehyde or ketone) can provide AX2 systems where a carbon-13 acts as a spy nucleus. Proton signals that relax to equilibrium with two distinct time constants can be
Protegiendo a su familia de los terremotos-Los siete pasos a la seguridad para prepararse en caso de un terremoto (en espa?ol y en ingles)
Desarrollado por American Red Cross, Asian Pacific Fund, California Earthquake Authority, Governor's Office of Emergency Services, New America Media, U.S. Department of Homeland Security Federal Emergency Management Agency, and U.S. Geological Survey
Les escribimos esta carta para comunicarle un mensaje sumamente importante sobre las preparaciones de emergencia. Historicamente, hemos sufrido terremotos aqui en el Area de la Bahia de San Francisco que han causado graves privaciones para los residentes de la comunidad y da?os increibles a nuestras ciudades. Es probable que suframos un terremoto de gran magnitud en los proximos 30 a?os. Muchos de nosotros venimos de otros paises donde hemos pasado por terremotos y por eso creemos entenderlos. Sin embargo, la manera que nos preparamos para terremotos en nuestros paises de origen puede ser distinta a la que empleamos aca en los Estados Unidos. Muy pocas personas mueren a causa de los derrumbes de los edificios en el Area de la Bahia porque la mayoria de los edificios son construidos para resistir el sacudimiento de la tierra. Pero es muy probable que su familia no tenga atencion medica, alimentos o que esten separados del uno al otro por dias o semanas. Finalmente depende de usted mantener a su familia a salvo hasta que llegue asistencia, por eso les pedimos que nos unamos para aprender a cuidar a su familia antes, durante, y despues de un terremoto. El primer paso es leer este libro. Cada uno de su familia, ni?os y adultos, pueden aprender como prepararse para un terremoto. Haga participar e incluya sus ni?os; pueden ayudarle a prepararse. Aproveche las clases ofrecidas en su comunidad sobre las preparaciones de terremotos por la Cruz Roja Estadounidense (American Red Cross). Estos cursos de preparacion son gratis y disponibles en espa?ol para todos en la comunidad sin tomar en cuenta la historia de la familia, estado legal, genero o edad. Les recomendamos que tome ventaja de estas clases gratuitas. Para mas informacion consulte la ultima pagina de este libro. Recuerde que un terremoto puede ocurrir sin aviso y la unica manera de reducir el da?o de terremotos es estar preparados. !Preparese!
Nueva opción de tratamiento para mujeres jóvenes con cáncer de seno sensible a las hormonas
Un fármaco usado para el tratamiento del cáncer de seno (mama), conocido como exemestano, es más eficaz que tamoxifeno, un fármaco preventivo de uso común para el cáncer de seno, en la prevención de la recidiva del cáncer de seno en mujeres jóvenes que ta
Opciones de cirugía para mujeres con CDIS o con cáncer de seno- página de publicaciones
Contiene información sobre los tipos de cirugía de seno, como la operación para conservar el seno y la mastectomía, y ayuda a las mujeres diagnosticadas con CDIS o con cáncer de seno a decidir cuál cirugía es la más conveniente para ellas.
Photoinduced Charge and Energy Transfer within meta- and para-Linked Chlorophyll a-Perylene-3,4:9,10-bis(dicarboximide) Donor-Acceptor Dyads.
Huang, Guan-Jhih; Harris, Michelle A; Krzyaniak, Matthew D; Margulies, Eric A; Dyar, Scott M; Lindquist, Rebecca J; Wu, Yilei; Roznyatovskiy, Vladimir V; Wu, Yi-Lin; Young, Ryan M; Wasielewski, Michael R
Connecting electron donors and acceptors to a benzene ring in a meta or para relationship results in quantum interference effects that can strongly influence charge separation (CS) and charge recombination (CR) processes in these systems. We report on the energy and electron transfer behavior of chlorophyll-based para- and meta-linked donor-bridge-acceptor (D-B-A) dyads, where the semisynthetic chlorophyll a derivative, zinc methyl 3-ethyl-pyrochlorophyllide a (D), is covalently attached at its 20-position to the para position of one phenyl of diphenylacetylene (B). The meta or para position of the phenyl in B distal to the donor is in turn attached to perylene-3,4:9,10-bis(dicarboximide) (PDI) (A). Photoexcitation of the D-B-A dyads produces long-lived radical ion pairs D(•+)-B-A(•-), which recombine to the ground state and to both (3*)D-B-A and D-B-(3*)A. Time-resolved optical and electron paramagnetic resonance spectroscopies were used to monitor the charge transfer and triplet energy transfer (TEnT) processes. At longer times, TEnT occurs from (3*)D-B-A to D-B-(3*)A. Surprisingly, the D-B-A molecules linked via the meta linkage exhibit faster CS, CR, and TEnT rates than do those with the para linkage in contrast to most other meta/para-linked D-B-A molecules previously examined. PMID:26731377
BSSDATA - um programa otimizado para filtragem de dados em radioastronomia solar
NASA Astrophysics Data System (ADS)
Martinon, A. R. F.; Sawant, H. S.; Fernandes, F. C. R.; Stephany, S.; Preto, A. J.; Dobrowolski, K. M.
A partir de 1998, entrou em operação regular no INPE, em São José dos Campos, o Brazilian Solar Spectroscope (BSS). O BSS é dedicado às observações de explosões solares decimétricas com alta resolução temporal e espectral, com a principal finalidade de investigar fenômenos associados com a liberação de energia dos "flares" solares. Entre os anos de 1999 e 2002, foram catalogadas, aproximadamente 340 explosões solares classificadas em 8 tipos distintos, de acordo com suas características morfológicas. Na análise detalhada de cada tipo, ou grupo, de explosões solares deve-se considerar a variação do fluxo do sol calmo ("background"), em função da freqüência e a variação temporal, além da complexidade das explosões e estruturas finas registradas superpostas ao fundo variável. Com o intuito de realizar tal análise foi desenvolvido o programa BSSData. Este programa, desenvolvido em linguagem C++, é constituído de várias ferramentas que auxiliam no tratamento e análise dos dados registrados pelo BSS. Neste trabalho iremos abordar as ferramentas referentes à filtragem do ruído de fundo. As rotinas do BSSData para filtragem de ruído foram testadas nos diversos grupos de explosões solares ("dots", "fibra", "lace", "patch", "spikes", "tipo III" e "zebra") alcançando um bom resultado na diminuição do ruído de fundo e obtendo, em conseqüência, dados onde o sinal torna-se mais homogêneo ressaltando as áreas onde existem explosões solares e tornando mais precisas as determinações dos parâmetros observacionais de cada explosão. Estes resultados serão apresentados e discutidos.
Yeast Coq9 controls deamination of coenzyme Q intermediates that derive from para-aminobenzoic acid.
He, Cuiwen H; Black, Dylan S; Nguyen, Theresa P T; Wang, Charles; Srinivasan, Chandra; Clarke, Catherine F
Coq9 is a polypeptide subunit in a mitochondrial multi-subunit complex, termed the CoQ-synthome, required for biosynthesis of coenzyme Q (ubiquinone or Q). Deletion of COQ9 results in dissociation of the CoQ-synthome, but over-expression of Coq8 putative kinase stabilizes the CoQ-synthome in the coq9 null mutant and leads to the accumulation of two nitrogen-containing Q intermediates, imino-demethoxy-Q6 (IDMQ6) and 3-hexaprenyl-4-aminophenol (4-AP) when para-aminobenzoic acid (pABA) is provided as a ring precursor. To investigate whether Coq9 is responsible for deamination steps in Q biosynthesis, we utilized the yeast coq5-5 point mutant. The yeast coq5-5 point mutant is defective in the C-methyltransferase step of Q biosynthesis but retains normal steady-state levels of the Coq5 polypeptide. Here, we show that when high amounts of 13C6-pABA are provided, the coq5-5 mutant accumulates both 13C6-imino-demethyl-demethoxy-Q6 (13C6-IDDMQ6) and 13C6-demethyl-demethoxy-Q6 (13C6-DDMQ6). Deletion of COQ9 in the yeast coq5-5 mutant along with Coq8 over-expression and 13C6- pABA labeling leads to the absence of 13C6-DDMQ6, and the nitrogen-containing intermediates 13C6-4-AP and 13C6-IDDMQ6 persist. We describe a coq9 temperature-sensitive mutant and show that at the non-permissive temperature, steady-state polypeptide levels of Coq9-ts19 increased, while Coq4, Coq5, Coq6, and Coq7 decreased. The coq9-ts19 mutant had decreased Q6 content and increased levels of nitrogen-containing intermediates. These findings identify Coq9 as a multi-functional protein that is required for the function of Coq6 and Coq7 hydroxylases, for removal of the nitrogen substituent from pABA-derived Q intermediates, and is an essential component of the CoQ synthome. PMID:26008578
Microporosity linked fluid focusing and monazite instability in greenschist facies para-conglomerates, western India
NASA Astrophysics Data System (ADS)
Rekha, S.; Bhattacharya, A.; Viswanath, T. A.
In a deformed para-conglomerate (western India), monazites occur as discrete grains (50-250 μm long axis) in tonalite clasts, in the warping chlorite-biotite-calcite schist layers, and as disseminated grains (<5 μm) along with xenotime and huttonite forming veins in schist layers. The veins are absent in clasts. Chlorite and biotite defining schistosity in schist layers and in synchronously-formed extensional veins/fractures in clasts are chemically identical. δ18O (VSMOW) and δ13C (VPDB) in calcite in schistosity, in clasts, and in "beards" in pressure shadow zones around clasts are tightly bracketed, 11.4-12.2‰ and -3.1 to -3.6‰ respectively. Margins of clast-hosted monazites are partly altered to fluorapatite - huttonite ± allanite ± Y-xenotime. By contrast, monazite alteration in schist layers is extensive. In schist layers, rafts of embayed monazite occur in fluorapatite-dominated corona studded with idiomorphic huttonite, Y-xenotime ± allanite. Mass balance calculation in a well-defined alteration zone around monazite in schist layer with P conserved indicate large gain in mass fraction of lower-abundance, less soluble HREEs, Y and Th in the alteration zone was compensated by minor loss in mass fraction of higher abundance elements (LREEs, MREEs) resulting in negligible net mass change. Monazite decomposition was associated with ˜50% dilation strain. Yb, Th and U abundances in alteration zones around decomposed monazites in schist layer are computed to be manifold higher than average schists. The contemporaneous formation of pore microstructures, the chemical homogeneity among ferromagnesian minerals and C-O isotope data in calcite in different textural domains, and results of mass balance calculations are compatible with deformation-aided porosity generation, synchronous fluid-mediated advection transport of elements, and dissolution-re-precipitation of mica-calcite aggregates at upper crustal conditions, ˜500 °C, ˜4 kbar. Monazite instability
Antitumor effect of para-toluenesulfonamide against lung cancer xenograft in a mouse model
Gao, Yang; Gao, Yonghua; Guan, Weijie; Huang, Liyan; Xu, Xiaoming; Zhang, Chenting; Chen, Xiuqing; Wu, Yizhuang; Zeng, Guangqiao
Background Conventional chemotherapy and radiation therapy against non-small cell lung cancer (NSCLC) are relatively insensitive and unsatisfactory. Para-toluenesulfonamide (PTS), a unique antitumor drug for local intratumoral injection, shows an efficacy of severely suppressing solid tumor growth with mild side effects in clinical trials. The aim of this study was to investigate the effect of PTS on lung cancer H460 cells in vivo in nude mice and its underlying mechanisms in vitro. Methods A lung cancer model for in vivo experiment was established in BALB/c nude mice using H460 cells to examine the effect of local injection of PTS on tumor suppression. We also assessed the injury to the normal tissue by subcutaneous injection of PTS. In vitro, PTS was diluted into different doses for study on its antitumor mechanisms. We evaluated the necrotic effect of PTS on H460 cells by PI and Hoechst 33342 staining. Cell viability and membrane permeability were also determined by using CCK-8 and LDH assays respectively. All these tests were conducted in comparison with traditional local injection of anhydrous ethanol. Results PTS was shown to significantly inhibit the growth of H460 tumor xenografts in nude mice by inducing necrosis of the tumor histologically. Its effect on tumor growth was significantly stronger than that of anhydrous ethanol. By contrast, the injured normal tissue by PTS injection was less than that by ethanol. In vitro, PTS still demonstrated excellent necrotizing effect on H460 cells when diluted to a lower concentration. Detailed analysis of PTS on H460 cells indicated that PTS had a better effect on attenuating the cell viability and increasing the cell membrane permeability than ethanol at the same level. Conclusions PTS exhibits excellent inhibition effect on the growth of lung cancer by necrotizing tumor in vivo and in vitro, reducing tumor cell viability and augmenting the membrane permeability in vitro, with only mild injury to normal tissue. The
para-Aminobenzoic Acid Is a Precursor in Coenzyme Q6 Biosynthesis in Saccharomyces cerevisiae*
Marbois, Beth; Xie, Letian X.; Choi, Samuel; Hirano, Kathleen; Hyman, Kyle; Clarke, Catherine F.
Coenzyme Q (ubiquinone or Q) is a crucial mitochondrial lipid required for respiratory electron transport in eukaryotes. 4-Hydroxybenozoate (4HB) is an aromatic ring precursor that forms the benzoquinone ring of Q and is used extensively to examine Q biosynthesis. However, the direct precursor compounds and enzymatic steps for synthesis of 4HB in yeast are unknown. Here we show that para-aminobenzoic acid (pABA), a well known precursor of folate, also functions as a precursor for Q biosynthesis. A hexaprenylated form of pABA (prenyl-pABA) is normally present in wild-type yeast crude lipid extracts but is absent in yeast abz1 mutants starved for pABA. A stable 13C6-isotope of pABA (p- amino[aromatic-13C6]benzoic acid ([13C6]pABA)), is prenylated in either wild-type or abz1 mutant yeast to form prenyl-[13C6]pABA. We demonstrate by HPLC and mass spectrometry that yeast incubated with either [13C6]pABA or [13C6]4HB generate both 13C6-demethoxy-Q (DMQ), a late stage Q biosynthetic intermediate, as well as the final product 13C6-coenzyme Q. Pulse-labeling analyses show that formation of prenyl-pABA occurs within minutes and precedes the synthesis of Q. Yeast utilizing pABA as a ring precursor produce another nitrogen containing intermediate, 4-imino-DMQ6. This intermediate is produced in small quantities in wild-type yeast cultured in standard media and in abz1 mutants supplemented with pABA. We suggest a mechanism where Schiff base-mediated deimination forms DMQ6 quinone, thereby eliminating the nitrogen contributed by pABA. This scheme results in the convergence of the 4HB and pABA pathways in eukaryotic Q biosynthesis and has implications regarding the action of pABA-based antifolates. PMID:20592037
An integrated management tool for rockfall evaluation along transportation corridors: the ParaChute research project
NASA Astrophysics Data System (ADS)
Cloutier, Catherine; Locat, Jacques; Mayers, Mélanie; Noël, François; Turmel, Dominique; Jacob, Chantal; Dorval, Pierre; Bossé, François; Gionet, Pierre; Jaboyedoff, Michel
Rockfall is a significant hazard along linear infrastructures due to the presence of natural and man-made rock slopes. Knowing where the problematic rockfalls source areas are is of primary importance to properly manage and mitigate the risk associated to rockfall along linear infrastructures. The aim of the ParaChute research project is to integrate various technologies into a workflow for rockfall characterization for such infrastructures, using a 220 km-long railroad as the study site which is located on Québec's North Shore, Canada. The objectives of this 3-year project which started in 2014 are: (1) to optimize the use of terrestrial, mobile and airborne laser scanners data into terrain analysis, structural geology analysis and rockfall susceptibility rating, (2) to further develop the use of unmanned aerial vehicles (UAV) for photogrammetry applied to rock cliff characterization, and (3) to integrate rockfall simulation studies into a rock slope classification system similar to the Rockfall Hazard Rating System. Firstly, based on laser scanner data and aerial photographs, the morpho-structural features of the terrain (genetic material, landform, drainage, etc.) are mapped. The result can be used to assess all types of mass movements. Secondly, to guide field work and decrease uncertainty of various parameters, systematic rockfall simulations and a first structural analysis are made from point clouds acquired by mobile and airborne laser scanner. The simulation results are used to recognize the rock slopes that have potentially problematic rockfall paths, meaning they could reach the linear infrastructure. Other rock slopes are not included in the inventory. Field work is carried out to validate and complete the rock slopes characterization previously made from remote sensing technique. Because some or parts of cliffs are not visible or accessible from the railroad, we are currently developing the use of photogrammetry by UAV in order to complete the
Failures of TDDFT in describing the lowest intramolecular charge-transfer excitation in para-nitroaniline
NASA Astrophysics Data System (ADS)
Eriksen, Janus J.; Sauer, Stephan P. A.; Mikkelsen, Kurt V.; Christiansen, Ove; Jensen, Hans Jørgen Aa.; Kongsted, Jacob
We investigate the failure of time-dependent density functional theory (TDDFT) with the CAM-B3LYP exchange-correlation (xc) functional coupled to the polarisable embedding (PE) scheme (PE-CAM-B3LYP) in reproducing the solvatochromic shift of the lowest intense charge-transfer excitation in para-nitroaniline (pNA) in water by comparing with results obtained with the coupled cluster singles and doubles (CCSD) model also coupled to the polarisable embedding scheme (PE-CCSD). We determine the amount of charge separation in the ground and excited charge-transfer state with both methods by calculating the electric dipole moments in the gas phase and for 100 solvent configurations. We find that CAM-B3LYP overestimates the amount of charge separation inherent in the ground state and TDDFT/CAM-B3LYP drastically underestimates this amount in the excited charge-transfer state. As the errors in the solvatochromatic shift are found to be inverse proportional to the change in dipole moment upon excitation, we conclude that the flaws in the description of the solvatochromic shift of this excitation are related to TDDFT itself and how it responds to the solvent effects modelled by the PE scheme. We recommend therefore to benchmark results of TDDFT calculations with CAM-B3LYP for intramolecular charge-transfer excitations in molecular systems similar to pNA against higher level ab initio wave function methods, like, e.g. CCSD, prior to their use. Using the calculated change in dipole moment upon excitation as a measure for charge-transfer character, we furthermore confirm that the difference between excitation energies calculated with TDDFT and with the Tamm-Dancoff approximation (TDA) to TDDFT is indeed correlated with the charge-transfer character of a given electronic transition both in vacuo and in solution. This is supported by a corresponding correlation between the change in dipole moment and the size of the Λ index diagnostic for the investigated CT excitation.
The change in upper tract urolithiasis composition, surgical treatments and outcomes of para and quadriplegic patients over time.
Clifton, Marisa M; Gettman, Matthew T; Patterson, David E; Rangel, Laureano; Krambeck, Amy E
Stone disease in patients with spinal cord injury is a source of morbidity and mortality. Previous studies have indicated a decrease in infection-based urolithiasis in recent decades. We aimed to identify changes in stone composition and surgical outcomes in patients with para and quadriplegia over time. A retrospective review of para and quadriplegic patients from 1986 to 2011 who underwent surgical intervention for urolithiasis was performed, identifying 95 patients. The Mantel-Haenszel Chi square test was used to compare change in stone composition over time. The mean patient age was 44.0 years (range 18-88) and treatment included percutaneous nephrolithotomy (PCNL) 40 (42.1 %), ureteroscopy 28 (29.5 %), shock wave lithotripsy (SWL) 26 (27.4 %), and nephrectomy 1 (1 %). Overall stone-free status was found in 47.4 % with 19.0 % requiring a repeat procedure. The median hospital stay for patients undergoing SWL was 2.5 days, ureteroscopy 5 days, and PCNL 6 days. Infection-based stone composition was identified in 23 patients (36.5 %). We evaluated the linear change in percent of each stone component over time and identified increasing components of calcium oxalate dihydrate (p = 0.002) and calcium carbonate (p = 0.009). However, over a period of 25 years, the incidence of infection-based stone did not change (p = 0.57). Para and quadriplegic patients with urolithiasis can be difficult to treat surgically with prolonged hospitalizations, low stone-free status, and often require additional procedures. Despite improvements in antibiotic agents and management of neurogenic bladders, infection-based calculi continue to be a significant source of morbidity to this patient population. PMID:25015593
Radiosurgery for Para-IAC Meningiomas: The Effect of Radiation Dose to the Cochlea on Hearing Outcome
Kim, Young-Hoon; Kim, Dong Gyu; Han, Jung Ho; Chung, Hyun-Tai; Kim, In Kyung; Song, Sang Woo; Park, Jeong-Hoon; Kim, Jin Wook; Kim, Yong Hwy; Park, Chul-Kee; Kim, Chae-Yong; Paek, Sun Ha; Jung, Hee-Won
Purpose: This study was performed to assess the radiosurgical results of meningiomas extending into the internal acoustic canal (para-IAC meningiomas), with a particular focus on the effect of radiation dose to the cochlea on hearing outcome. Methods and Materials: A total of 50 patients who underwent radiosurgery for para-IAC meningiomas between 1998 and 2009, which were followed for 2 years, were enrolled. The mean age was 55.8 years (range, 15-75). The mean tumor volume was 6.1 cm{sup 3} (range, 1.0-19.0), the mean tumor length in the IAC was 6.9 mm (range, 1.3-13.3), and the mean prescribed marginal dose was 13.1 Gy (range, 10-15) at an isodose line of 50%. The mean follow-up duration was 46 months (range, 24-122). Results: Eight (16.0%) patients had nonserviceable hearing at the time of surgery. At the last follow-up, the tumor control rate was 94%; unchanged in 17 patients, decreased in 30 patients, and increased in 3 patients. Among 42 patients with serviceable hearing at the time of radiosurgery, it was preserved in 41 (97.6%) patients at the last follow-up. The maximal and mean radiation doses to the cochleae of these 41 patients were 5.8 Gy {+-} 0.3 (range, 3.1-11.5) and 4.3 Gy {+-} 0.2 (range, 2.2-7.5), respectively. The maximal dose to the cochlea of the patient who lost hearing after radiosurgery was 4.7 Gy. Conclusions: The radiation dose to the cochlea may have the minimal toxic effect on the hearing outcome in patients who undergo radiosurgery for para-IAC meningiomas.
High Resolution Infrared Spectroscopy of CH_3F-({ortho}-H_2){n} Cluster in Solid {para}-H_2
NASA Astrophysics Data System (ADS)
Kawasaki, Hiroyuki; Mizoguchi, Asao; Kanamori, Hideto
The absorption spectrum of the ν3 (C-F stretching) mode of CH_3F in solid {para}-H_2 by FTIR showed a series of equal interval peaks. Their interpretation was that the {}-th peak of this series was due to CH_3F-({ortho}-H_2){n} clusters which were formed CH_3F and {n}'s {ortho}-H_2 in first nearest neighbor sites of the {para}-H_2 crystal with {hcp} structure. In order to understand this system in more detail, we have studied these peaks, especially {n} = 0 - 3 corresponding to 1037 - 1041 wn, by using high-resolution and high-sensitive infrared quantum cascade (QC) laser spectroscopy. Before now, we found many peaks around each {n}-th peak of the cluster, which we didn't know their origins. We observed photochromic phenomenon of these peaks by taking an advantage of the high brightness of the laser. In this study, we focus on satellite series consisting of six peaks which locate at the lower energy side of each main peak. All the peaks showed a common red shouldered line profile, which corresponds to partly resolved transitions of {ortho}- and {para}- CH_3F. The spectral pattern and time behavior of the peaks may suggest that these satellite series originate from a family of CH_3F clusters involving {ortho}-H_2 in second nearest neighbor sites. A model function assuming this idea is used to resolve the observed spectrum into each Lorentzian component, and then some common features of the satellite peaks are extracted and the physical meanings of them will be discussed. K. Yoshioka and D. T. Anderson, J. Chem. Phys. 119 (2003) 4731-4742 A. R. W. McKellar, A. Mizoguchi, and H. Kanamori, J. Chem. Phys. 135 (2011) 124511 A. R. W. McKellar, A. Mizoguchi, and H. Kanamori, Phys. Chem. Chem. Phys. 13 (2011) 11587-11589.
The effect of partial hepatectomy on the metabolism, distribution, and nephrotoxicity of para-methylthiobenzamide in the rat.
Cox, D N; Davidson, V P; Judd, C E; Stodgell, C; Traiger, G J
Para-Methylthiobenzamide (PMTB) produces injury to the liver and kidney. Toxicity is mediated via its biotransformation to a reactive S,S-dioxide metabolite. The objective of this study was to examine the role of hepatic metabolism in the production of PMTB-induced renal toxicity. Renal injury was assessed in partially hepatectomized and sham-operated rats and the effect of this procedure on the distribution and metabolism of PMTB was examined. The in vitro oxidation of PMTB and [14C]thiobenzamide by rat kidney microsomes was also examined. Plasma urea levels and renal cortical slice uptake of organic ions were used to monitor renal function. Partial hepatectomy alone did not alter renal function nor raise blood urea nitrogen levels. Nephrotoxicity resulted when a nonnephrotoxic dose of PMTB (1.2 mmol/kg) was given to partially hepatectomized rats. An HPLC method was used for measurement of PMTB and its metabolites para-methylthiobenzamide S-oxide (PMTBSO) and para-methylbenzamide (PMBA) in plasma and kidney. Hepatectomy delayed the removal of this dose of PMTB from plasma and allowed greater concentrations of PMTB and PMTBSO to accumulate in plasma and kidney at 6 and 15 hr. The level of PMBA was similar in both groups at 6 hr, but was increased in plasma and kidney of the hepatectomized group at 15 hr. Kidney microsomes rapidly converted PMTB to PMTBSO and small amounts of PMBA. [14C]TB was oxidized by microsomes to thiobenzamide S-oxide, benzamide, and covalently bound metabolites. The results indicate that partial hepatectomy lowered the threshold for the expression of nephrotoxicity by PMTB. This procedure is associated with an increased renal accumulation of PMTB and PMTBSO, which are both sequentially transformed to the toxic metabolite. PMID:1561633
Developing Continuous-Wave Raman Lasers Using Solid Para-Hydrogen and Barium Nitrate for Molecular Spectroscopy Applications
NASA Astrophysics Data System (ADS)
Evans, William R.; Momose, Takamasa; McCall, Benjamin J.
Many interesting molecular targets have vibrational transitions between 5 and 10 μm. However, widely tunable continuous-wave laser sources in this region are extremely rare. One possible solution to this situation is with continuous-wave Raman lasers. We will present our recent work toward the construction of two continuous-wave Raman lasers: one using solid para-hydrogen as the Raman shifting medium, and the other using barium nitrate. Solid para-hydrogen is a promising medium for a continuous-wave Raman laser because of its high Raman gain coefficient (18 cm/MW, almost 400 times higher than any room-temperature crystal), wide spectral transmission window (transparent from ˜100 nm to ˜30 μm), its nature as a ``quantum crystal," and its large Raman shift (4150 cm-1 in the solid). We will also describe our more recent work designing and constructing a continuous-wave Raman laser in barium nitrate. Barium nitrate has the advantage of being the room-temperature crystal with the highest Raman gain coefficient, as well as being highly transparent from 350 to 1800 nm. Barium nitrate has been used as a continuous-wave Raman shifter for several years. Our recent work builds upon this foundation, combining lessons learned from our work with solid para-hydrogen. Our design is the first barium nitrate Raman laser using an actively-locked, doubly-resonant laser cavity. This holds the promise of requiring much lower threshold pump powers than previous setups. We will discuss some of the details in designing and building these lasers. Finally, we will report on the current state of our projects as well as anticipated future work.
Desarrollo de la Escala sobre el Estigma Relacionado con el VIH/SIDA para Profesionales de la Salud mediante el uso de métodos mixtos123
Varas-Díaz, Nelson; Neilands, Torsten B.; Guilamo-Ramos, Vincent; Cintrón Bou, Francheska N.
El estigma relacionado con el VIH/SIDA continúa siendo un obstáculo para la prevención primaria y secundaria del VIH. Las consecuencias para las personas que viven con la enfermedad han sido muy documentadas y continúan siendo una gran preocupación para las personas que proveen servicios de salud y para aquellas que investigan el tema. Estas consecuencias son preocupantes cuando el estigma emana de profesionales de la salud porque se puede limitar el acceso a los servicios. Uno de los principales obstáculos para la investigación del estigma relacionado con el VIH en Puerto Rico es la falta de instrumentos cuantitativos para evaluar las manifestaciones del estigma entre profesionales de la salud. El objetivo principal de este estudio fue desarrollar y probar las propiedades psicométricas de una escala sobre el estigma relacionado con el VIH/SIDA culturalmente apropiada para personas que proveen servicios de salud puertorriqueñas y desarrollar una versión corta de la escala que pudiera usarse en escenarios clínicos con tiempo limitado. El instrumento desarrollado estuvo basado en evidencia cualitativa recopilada entre profesionales y estudiantes de profesiones de la salud puertorriqueños/as (n=80) y administrado a una muestra de 421 profesionales de la salud en adiestramiento. La escala contenía 12 dimensiones del estigma relacionado con el VIH/SIDA. El análisis cuantitativo corroboró 11 de ellas, teniendo como resultado un instrumento con validez y confiabilidad satisfactoria. Estas dimensiones, a su vez, fueron subcomponentes de un factor de estigma general superior. PMID:20333258
Application of meta- and para- phenylenediamine as enhanced oxime ligation catalysts for protein labeling, PEGylation, immobilization and release
Mahmoodi, Mohammad M.; Rashidian, Mohammad; Zhang, Yi; Distefano, Mark D.
Meta- and para- phenylenediamines have recently been shown to catalyze oxime and hydrazone ligation reactions at rates much faster than aniline, a commonly used catalyst. Here, it is demonstrated how these new catalysts can be used in a generally applicable procedure for fluorescent labeling, PEGylation, immobilization and release of aldehyde and ketone functionalized proteins. The chemical orthogonality of phenylenediamine-catalyzed oxime ligation versus copper catalyzed click reaction has also been harnessed for simultaneous dual labeling of bifunctional proteins containing both aldehyde and alkyne groups in high yield. PMID:25640893
Direct Construction of 4-Hydroxybenzils via Para-Selective C-C Bond Coupling of Phenols and Aryl Methyl Ketones.
Xiang, Jia-Chen; Cheng, Yan; Wang, Miao; Wu, Yan-Dong; Wu, An-Xin
A highly para-selective C-C bond coupling is presented between phenols C(sp(2)) and aryl methyl ketones C(sp(3)), which enables the direct construction of 4-hydroxybenzil derivatives. This practical method exhibits a broad substrate scope and large-scale applicability and represents a general gateway to the hydroxybenzil natural product family. Mechanistic investigations indicated that the combination of HI with DMSO realized the oxidative carbonylation of aryl methyl ketones, while boric acid acted as a dual-functional relay reagent to promote this transformation. PMID:27513164
Optically engineered quantum interference of delocalized wave functions in a bulk solid: The example of solid para-hydrogen
NASA Astrophysics Data System (ADS)
Katsuki, Hiroyuki; Kayanuma, Yosuke; Ohmori, Kenji
Local excitations of indistinguishable particles in a solid are quantum-mechanically superposed to give delocalized wave functions. Their interference is often so short-lived that it eludes observation and manipulation. Here we have actively controlled interference of delocalized vibrational wave functions in solid para-hydrogen produced by a pair of ultrashort laser pulses. The ultrafast evolution of their interference changes from almost completely constructive (amplification by a factor of ˜4) to destructive when we change the timing of those two laser pulses by only 4 fs. This active control serves as an experimental tool to investigate the spatiotemporal evolution of a wave function in a bulk solid.
Selective and Efficient Generation of ortho-Brominated para-Substituted Phenols in ACS-Grade Methanol.
Georgiev, David; Saes, Bartholomeus W H; Johnston, Heather J; Boys, Sarah K; Healy, Alan; Hulme, Alison N
The mono ortho-bromination of phenolic building blocks by NBS has been achieved in short reaction times (15-20 min) using ACS-grade methanol as a solvent. The reactions can be conducted on phenol, naphthol and biphenol substrates, giving yields of >86% on gram scale. Excellent selectivity for the desired mono ortho-brominated products is achieved in the presence of 10 mol % para-TsOH, and the reaction is shown to be tolerant of a range of substituents, including CH3, F, and NHBoc. PMID:26771597
Projeto do sistema anti-ressonante da fiação dos transdutores para o detector Mario Schenberg
NASA Astrophysics Data System (ADS)
Vieira, S. J.., Jr.; Melo, J. L.
O detector de ondas gravitacionais Mario Schenberg está sendo projetado e construído pelo grupo Gráviton. Sua construção está ocorrendo no Laboratório de Estado Sólido e Baixas Temperaturas (LESBT) da Universidade de São Paulo, na cidade de São Paulo. Esse detector possui uma massa ressonante esférica de cobre-alumínio, com 65 cm de diâmetro, pesando aproximadamente 1150 Kg, suspensa por um sistema de isolamento vibracional, que se encontra em fase de testes preliminares. A real eficácia desse sistema, entretanto, só poderá ser comprovada quando o detector estiver aparelhado com, pelo menos, um transdutor eletromecânico de altíssima sensibilidade acoplado à massa ressonante. Neste momento, não só este sistema de isolamento vibracional será posto em teste, como o do projeto da fiação que transporta os sinais de microondas até os transdutores e destes para a pré-amplificação. Apesar dessa fiação ter sido projetada para não apresentar nenhum contato com a superfície esférica da antena, de maneira a não haver nenhuma transmissão de ruído vibracional do laboratório para esta, deve-se minimizar o ruído microfônico produzido nessa fiação por oscilações mecânicas, uma vez que ela não utiliza nenhum sistema de isolamento vibracional. Com o intuito de resolver este problema, projetamos uma estrutura, formada por pequenos cilindros conectados por barras, a qual não terá nenhuma ressonância mecânica na faixa de freqüências de interesse para detecção (3000 - 3400 Hz). Desta forma, as vibrações nessa faixa não serão amplificadas. O projeto foi feito usando iterativamente, de maneira a otimizar os resultados obtidos, o programa de elementos finitos Msc/Nastran. Através de simulações feitas neste programa, determinamos os parâmetros geométricos ideais a serem utilizados, os quais proporcionam a maior região espectral de interesse livre de ressonâncias.
Microbiological Transformations. 33. Fungal Epoxide Hydrolases Applied to the Synthesis of Enantiopure Para-Substituted Styrene Oxides. A Mechanistic Approach.
Pedragosa-Moreau, S.; Morisseau, C.; Zylber, J.; Archelas, A.; Baratti, J.; Furstoss, R.
The biohydrolysis of differently para-substituted styrene oxide derivatives was studied, using whole cells of the fungi Aspergillus niger or Beauveria sulfurescens. These microorganisms proved to be equipped with epoxide hydrolases which are able to achieve these hydrolyses with high enantioselectivity. This allowed the preparation of the optically active epoxides and of the corresponding vicinal diols which were obtained with good to excellent enantiomeric purity. These two microorganisms proved to be enantiocomplementary. A mechanistic study, carried out using a crude lyophilized enzymatic extract from A.niger, indicated via Hammet coefficient plotting that this hydrolysis is very probably due to a general base-catalyzed process. PMID:11667667
An inverse geometry neutron scattering spectrometer with graphite Venetian blind crystal analyser and a para-hydrogen filter
NASA Astrophysics Data System (ADS)
Petrillo, C.; Sacchetti, F.; Celli, M.; Zoppi, M.; Checchi, C. A.
The design of a neutron spectrometer for inelastic scattering with inverse geometry configuration is presented. The main new characteristics of the proposed design are the use of a Venetian blind arrangement for the crystal analysers and the insertion of a para-hydrogen filter for the suppression of higher-order reflections. Based on this design, a prototype arm was built and tested at ISIS Spallation Neutron Source (UK). The results of the test measurements, showing the performances of the system, are presented and discussed.
Simple ortho- and para-hydroquinones as compounds neuroprotective against oxidative stress in a manner associated with specific transcriptional activation
Satoh, Takumi Saitoh, Sachie; Hosaka, Manami; Kosaka, Kunio
Electrophilic compounds protect neurons through the activation of the Keap1/Nrf2 pathway and the induction of phase-2 enzymes [T. Satoh, S.A. Lipton, Redox regulation of neuronal survival by electrophilic compounds, Trends Neurosci. 30 (2007) 38-45; T. Satoh, S. Okamoto, J. Cui, Y. Watanabe, K. Furuta, M. Suzuki, K. Tohyama, S.A. Lipton, Activation of the Keap1/Nrf2 pathway for neuroprotection by electrophilic phase II inducers. Proc. Natl. Acad. Sci. USA 103 (2006) 768-773]. Hydroquinone-type electrophilic compounds such as tert-butyl hydroquinone (TBHQ) and carnosic acid (CA) have attracted special attention, because the oxidative conversion of 'hydroquinone' to 'quinone' is essential for the transcriptional activation of the above-mentioned enzymes [T. Satoh, K. Kosaka, K. Itoh, A. Kobayashi, M. Yamamoto, Y. Shimojo, C. Kitajima, J. Cui, J. Kamins, S. Okamoto, T. Shirasawa, S.A. Lipton, Carnosic acid, a catechol-type electrophilic compound, protect neurons both in vitro and in vivo through activation of the Keap1/Nrf2 pathway via S-alkylation of specific cysteine, J. Neurochem. 104 (2008) 1161-1131; A.D. Kraft, D.A. Johnson, J.A. Johnson, Nuclear factor E2-related factor 2-dependent antioxidant response element activation by tert-butylhydroquinone and sulforaphane occurring preferentially in astrocytes conditions neurons against oxidative insult, J. Neurosci. 24 (2004) 1101-1112]. In the present study, we examined the relationship between electrophilicity and the protective effects afforded by electrophilic compounds. Electrophilicity was assessed in terms of the ability of a compound to bind to a cysteine on bovine serum albumin, by which we found that neuroprotective hydroquinones [TBHQ (para-) and CA (ortho-)] had distinctive patterns of cysteine binding compared with other electrophilic compounds. Further, we found that isomers of simple ortho- and para-hydroquinones such as 2-methylhydroquinone (para-) and 4-methyl-catechol (ortho-) [not in abstract] had
Upper limit for the D2H+ ortho-to-para ratio in the prestellar core 16293E (CHESS)
NASA Astrophysics Data System (ADS)
Vastel, C.; Caselli, P.; Ceccarelli, C.; Bacmann, A.; Lis, D. C.; Caux, E.; Codella, C.; Beckwith, J. A.; Ridley, T.
The H_3^+ ion plays a key role in the chemistry of dense interstellar gas clouds where stars and planets are forming. The low temperatures and high extinctions of such clouds make direct observations of H_3^+ impossible, but lead to large abundances of H2D+ and D2H+, which are very useful probes of the early stages of star and planet formation. The ground-state rotational ortho-D2H+ 11,1-00,0 transition at 1476.6 GHz in the prestellar core 16293E has been searched for with the Herschel HIFI instrument, within the CHESS (Chemical HErschel Surveys of Star forming regions) Key Program. The line has not been detected at the 21 mK km s-1 level (3σ integrated line intensity). We used the ortho-H2D+ 11,0-11,1 transition and para-D2H+ 11,0-10,1 transition detected in this source to determine an upper limit on the ortho-to-para D2H+ ratio as well as the para-D2H+/ortho-H2D+ ratio from a non-local thermodynamic equilibrium analysis. The comparison between our chemical modeling and the observations suggests that the CO depletion must be high (larger than 100), with a density between 5 × 105 and 106 cm-3. Also the upper limit on the ortho-D2H+ line is consistent with a low gas temperature (~11 K) with a ortho-to-para ratio of 6 to 9, i.e. 2 to 3 times higher than the value estimated from the chemical modeling, making it impossible to detect this high frequency transition with the present state of the art receivers. The chemical network is only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (188.8.131.52) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/547/A33Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.
Rational extensions of the trigonometric Darboux-Pöschl-Teller potential based on para-Jacobi polynomials
NASA Astrophysics Data System (ADS)
Bagchi, B.; Grandati, Y.; Quesne, C.
The possibility for the Jacobi equation to admit, in some cases, general solutions that are polynomials has been recently highlighted by Calogero and Yi, who termed them para-Jacobi polynomials. Such polynomials are used here to build seed functions of a Darboux-Bäcklund transformation for the trigonometric Darboux-Pöschl-Teller potential. As a result, one-step regular rational extensions of the latter depending both on an integer index n and on a continuously varying parameter λ are constructed. For each n value, the eigenstates of these extended potentials are associated with a novel family of λ-dependent polynomials, which are orthogonal on [-1,1].
[A case of surgical approach to the recurrence of the para-aortic lymph nodes after resection of rectal cancer].
Fukunaga, Hiroki; Ota, Hirofumi; Fujie, Yujirou; Shimizu, Kaori; Ogino, Takayuki; Toyoda, Yasuhiro; Yoshioka, Akiko; Yoshioka, Setsuko; Hojou, Shigeyuki; Endo, Wakio; Kakutani, Aki; Maeura, Yoshiichi
A 63-year-old female diagnosed as rectal cancer underwent low anterior resection and received adjuvant chemotherapy (folinate/tegafur/uracil therapy). After 6 months, lymph node metastasis was confirmed by an elevation of the tumor marker (CEA) and a FDG-PET image. After administration of 37 courses of mFOLFOX6 therapy, surgical excision was performed to the lymph node recurrence, because it was difficult to continue mFOLFOX6 therapy with grade 3 neuropathy. After 8 months from the last operation, no lymph node metastasis was appeared in the para-aortic area. PMID:20037371
The PAediatric Risk Assessment (PARA) Mobile App to Reduce Postdischarge Child Mortality: Design, Usability, and Feasibility for Health Care Workers in Uganda
English, Lauren Lacey; Dunsmuir, Dustin; Kumbakumba, Elias; Ansermino, John Mark; Larson, Charles P; Lester, Richard; Barigye, Celestine; Ndamira, Andrew; Kabakyenga, Jerome
Background Postdischarge death in children is increasingly being recognized as a major contributor to overall child mortality. The PAediatric Risk Assessment (PARA) app is an mHealth tool developed to aid health care workers in resource-limited settings such as Sub-Saharan Africa to identify pediatric patients at high risk of both in-hospital and postdischarge mortality. The intended users of the PARA app are health care workers (ie, nurses, doctors, and clinical officers) with varying levels of education and technological exposure, making testing of this clinical tool critical to successful implementation. Objective Our aim was to summarize the usability evaluation of the PARA app among target users, which consists of assessing the ease of use, functionality, and navigation of the interfaces and then iteratively improving the design of this clinical tool. Methods Health care workers (N=30) were recruited to participate at Mbarara Regional Referral Hospital and Holy Innocents Children's Hospital in Mbarara, Southwestern Uganda. This usability study was conducted in two phases to allow for iterative improvement and testing of the interfaces. The PARA app was evaluated using quantitative and qualitative measures, which were compared between Phases 1 and 2 of the study. Participants were given two patient scenarios that listed hypothetical information (ie, demographic, social, and clinical data) to be entered into the app and to determine the patient's risk of in-hospital and postdischarge mortality. Time-to-completion and user errors were recorded for each participant while using the app. A modified computer system usability questionnaire was utilized at the end of each session to elicit user satisfaction with the PARA app and obtain suggestions for future improvements. Results The average time to complete the PARA app decreased by 30% from Phase 1 to Phase 2, following user feedback and modifications. Participants spent the longest amount of time on the oxygen
Probing the ATP-binding site of P1 ParA: partition and repression have different requirements for ATP binding and hydrolysis
Fung, Emma; Bouet, Jean-Yves; Funnell, Barbara E.
The ParA family of proteins is involved in partition of a variety of plasmid and bacterial chromosomes. P1 ParA plays two roles in partition: it acts as a repressor of the par operon and has an undefined yet indispensable role in P1 plasmid localization. We constructed seven mutations in three putative ATP-binding motifs of ParA. Three classes of phenotypes resulted, each represented by mutations in more than one motif. Three mutations created 'super-repressors', in which repressor activity was much stronger than in wild-type ParA, while the remainder damaged repressor activity. All mutations eliminated partition activities, but two showed a plasmid stability defect that was worse than that of a null mutation. Four mutant ParAs, two super-repressors and two weak repressors, were analyzed biochemically, and all exhibited damaged ATPase activity. The super-repressors bound site-specifically to the par operator sequence, and this activity was strongly stimulated by ATP and ADP. These results support the proposal that ATP binding is essential but hydrolysis is inhibitory for ParA's repressor activity and suggest that ATP hydrolysis is essential for plasmid localization. PMID:11532954
Mix-infection of S. Typhi and ParaTyphi A in Typhoid Fever and Chronic Typhoid Carriers: A Nested PCR Based Study in North India
Pratap, Chandra Bhan; Kumar, Gopal; Patel, Saurabh Kumar; Shukla, Vijay K; Kumar, Kailash; Singh, Tej Bali
Introduction: Enteric fever is a systemic disease caused by Salmonella organism such as serotypes Typhi and ParaTyphi A, B, C. Salmonella ParaTyphi A contributes more than 50% of all the enteric fever cases and it has recently been projected as an emerging pathogen. Materials and Methods: The present study was aimed to detect Salmonella Typhi and ParaTyphi A in urine, blood and stool specimens collected from cases of enteric fever (110), chronic typhoid carriers (46) and healthy controls (75) to explore the possibility of mixed infection by nested PCR. A new nested PCR primer was designed targeting putative fimbrial protein (stkG) gene which is one of the fimbrial gene families to Salmonella ParaTyphi A and for S. Typhi already reported primers targeting flagellin (fliC) gene. Results: Large volume of urine specimens (15 ml) was found to be the best for detection of Salmonella serotypes. The urine sample was found to have mixed-infection by both the serotypes in 40.9% of the cases but lower in blood (27.3%) and stool (13.6%). Conclusion: The present study concludes that occurrence of mixed infection may be quite frequent in typhoid and chronic typhoid carriers' individuals, although the reported recent rise in ParaTyphi A incidence may not be real. PMID:25584217
Primary Amyloidosis of Celiac/Para-Pancreatic Lymph Nodes Diagnosed by Endosonography-Guided Fine Needle Aspiration
Akbar, Nuralhuda; Kubbara, Aahd; Nawras, Ali
Introduction. Primary amyloidosis is a disorder resulting from the deposition of fibrillary protein in extracellular tissue. Diagnosis of primary amyloidosis in the celiac/para-pancreatic lymph nodes via endoscopic ultrasound-guided fine needle aspiration has not been reported in the literature. In this article, we report our first observation. Our patient is a 64-year-old Caucasian man who was referred to our institution from an outlying hospital for recurrent abdominal pain. Radiological imaging revealed an enlarged abdominal lymph node that was already biopsied under computed tomography needle guidance but diagnosis was not achieved on pathological examination. At our institution, endoscopic ultrasound-guided fine needle aspiration showed enlarged para-celiac/pancreatic lymph nodes. Endosonography-guided fine needle aspiration revealed the diagnosis of primary amyloidosis. The patient tolerated the procedure well with follow-up as an outpatient. Conclusions. Lymph node involvement in amyloidosis is not uncommon. However, the involvement of the pancreatic/celiac lymph nodes by amyloidosis is obscure in this case. This case shows a rare presentation of amyloidosis diagnosed for the first time by the technique of endosonography-guided fine needle aspiration. In the future, this might serve as an establishment to standardize diagnosing abdominal lymph node amyloidosis, once suspected, by endosonography-guided fine needle aspiration. PMID:26904706
Primary Amyloidosis of Celiac/Para-Pancreatic Lymph Nodes Diagnosed by Endosonography-Guided Fine Needle Aspiration: A Case Report.
Akbar, Nuralhuda; Kubbara, Aahd; Nawras, Ali
Introduction. Primary amyloidosis is a disorder resulting from the deposition of fibrillary protein in extracellular tissue. Diagnosis of primary amyloidosis in the celiac/para-pancreatic lymph nodes via endoscopic ultrasound-guided fine needle aspiration has not been reported in the literature. In this article, we report our first observation. Our patient is a 64-year-old Caucasian man who was referred to our institution from an outlying hospital for recurrent abdominal pain. Radiological imaging revealed an enlarged abdominal lymph node that was already biopsied under computed tomography needle guidance but diagnosis was not achieved on pathological examination. At our institution, endoscopic ultrasound-guided fine needle aspiration showed enlarged para-celiac/pancreatic lymph nodes. Endosonography-guided fine needle aspiration revealed the diagnosis of primary amyloidosis. The patient tolerated the procedure well with follow-up as an outpatient. Conclusions. Lymph node involvement in amyloidosis is not uncommon. However, the involvement of the pancreatic/celiac lymph nodes by amyloidosis is obscure in this case. This case shows a rare presentation of amyloidosis diagnosed for the first time by the technique of endosonography-guided fine needle aspiration. In the future, this might serve as an establishment to standardize diagnosing abdominal lymph node amyloidosis, once suspected, by endosonography-guided fine needle aspiration. PMID:26904706
A comparative study between para-aminophenyl and ortho-aminophenyl benzothiazoles using NMR and DFT calculations.
Pierens, G K; Venkatachalam, T K; Reutens, D
Ortho-substituted and para-substituted aminophenyl benzothiazoles were synthesised and characterised using NMR spectroscopy. A comparison of the proton chemical shift values reveals significant differences in the observed chemical shift values for the NH protons indicating the presence of a hydrogen bond in all ortho-substituted compounds as compared to the para compounds. The presence of intramolecular hydrogen bond in the ortho amino substituted aminophenyl benzothiazole forces the molecule to be planar which may be an additional advantage in developing these compounds as Alzheimer's imaging agent because the binding to amyloid fibrils prefers planar compounds. The splitting pattern of the methylene proton next to the amino group also showed significant coupling to the amino proton consistent with the notion of the existence of slow exchange and hydrogen bond in the ortho-substituted compounds. This is further verified by density functional theory calculations which yielded a near planar low energy conformer for all the o-aminophenyl benzothiazoles and displayed a hydrogen bond from the amine proton to the nitrogen of the thiazole ring. A detailed analysis of the (1)H, (13)C and (15)N NMR chemical shifts and density functional theory calculated structures of the compounds are described. PMID:24890025
Um satélite brasileiro para observação do diâmetro solar
NASA Astrophysics Data System (ADS)
Emilio, M.; Leister, N. V.; Benevides Soares, P.; Teixeira, R.; Kuhn, J.
Propomos uma missão espacial para medir a forma e o diâmetro solar com o objetivo de ajudar a determinar o potencial gravitacional do Sol e a sua rotação com precisão, testar modelos teóricos de variação de energia e pela primeira vez medir os modos g de oscilação. As observações serão obtidas através do instrumento denominado APT (Astrometric and Photometric Telescope) descrito por Kuhn(1983). A sensibilidade do instrumento é de 0,2 mas em 27 dias para as observações do diâmetro solar feitas a cada minuto. Esta é uma missão de três anos de duração e pode complementar as medidas que serão feitas pelo satélite PICARD (a ser lançado em 2007). Outros parâmetros físicos podem ser obtidos com as mesmas imagens o que certamente interessará à comunidade de física solar. Um primeiro contato foi realizado com a agência espacial brasileira que pretende lançar um satélite científico a cada dois anos.
Herschel observations of ortho- and para-oxidaniumyl (H2O+) in spiral arm clouds toward Sagittarius B2(M)
NASA Astrophysics Data System (ADS)
Schilke, P.; Comito, C.; Müller, H. S. P.; Bergin, E. A.; Herbst, E.; Lis, D. C.; Neufeld, D. A.; Phillips, T. G.; Bell, T. A.; Blake, G. A.; Cabrit, S.; Caux, E.; Ceccarelli, C.; Cernicharo, J.; Crockett, N. R.; Daniel, F.; Dubernet, M.-L.; Emprechtinger, M.; Encrenaz, P.; Falgarone, E.; Gerin, M.; Giesen, T. F.; Goicoechea, J. R.; Goldsmith, P. F.; Gupta, H.; Joblin, C.; Johnstone, D.; Langer, W. D.; Latter, W. B.; Lord, S. D.; Maret, S.; Martin, P. G.; Melnick, G. J.; Menten, K. M.; Morris, P.; Murphy, J. A.; Ossenkopf, V.; Pagani, L.; Pearson, J. C.; Pérault, M.; Plume, R.; Qin, S.-L.; Salez, M.; Schlemmer, S.; Stutzki, J.; Trappe, N.; van der Tak, F. F. S.; Vastel, C.; Wang, S.; Yorke, H. W.; Yu, S.; Erickson, N.; Maiwald, F. W.; Kooi, J.; Karpov, A.; Zmuidzinas, J.; Boogert, A.; Schieder, R.; Zaal, P.
H2O+ has been observed in its ortho- and para- states toward the massive star forming core Sgr B2(M), located close to the Galactic center. The observations show absorption in all spiral arm clouds between the Sun and Sgr B2. The average o/p ratio of H2O+ in most velocity intervals is 4.8, which corresponds to a nuclear spin temperature of 21 K. The relationship of this spin temperature to the formation temperature and current physical temperature of the gas hosting H2O+ is discussed, but no firm conclusion is reached. In the velocity interval 0-60 km s-1, an ortho/para ratio of below unity is found, but if this is due to an artifact of contamination by other species or real is not clear. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.Appendix (pages 6, 7) is only available in electronic form at http://www.aanda.org
Theoretical study on the influence of different para-substituents on 13C NMR of the single carbonyl curcumin analogues
NASA Astrophysics Data System (ADS)
Jia, Fei-yun; Ran, Ming; Zhang, Bo
The structure of eight kinds of different para-substituents curcumin analogues has been optimized at the level of B3LYP/6-31G( d, p), under which the stability has been verified by means of vibration analysis. Moreover, NMR spectra of curcumin analogues compounds have been studied at the level of B3LYP/6-311G( d, p) by GIAO method. The results show that the structure of eight compounds, a larger conjugated system, has good planarity. The effect of ortho-substituents on bond lengths and bond angles is greater than para and meta. Different substituents and different positions of substituents all have different influence on NMR of the single carbonyl curcumin analogues. In general, after the hydrogen atom on the benzene ring is substituted by other groups, the δ value of α-C changes significantly, the δ value of ortho-carbon atom may also have great change, but the δ value change of meta-carbon atoms is not too obvious. The effect of substituent electronegativity on α-C atoms presents obvious regularity, while the influence of conjugate effect on carbon atoms of benzene ring is more complex. Finally, the bigger substituted alkyl is, the more the δ value of α-C increases.
In vitro cell culture, platelet adhesion tests and in vivo implant tests of plasma-polymerized para-xylene films
NASA Astrophysics Data System (ADS)
Chou, Chia-Man; Yeh, Chou-Ming; Chung, Chi-Jen; He, Ju-Liang
Plasma-polymerized para-xylene (PPX) was developed in a previous study by adjusting the process parameters: pulse frequency of the power supply (ωp) and para-xylene monomer flow rate (fp). All the obtained PPX films exhibit an amorphous structure and present hydrophobicity (water contact angle ranging from 98.5° to 121.1°), higher film growth rate and good fibroblast cell proliferation. In this study, in vitro tests (fibroblast cell compatibility and platelet adhesion) and an in vivo animal study were performed by using PPX deposited industrial-grade silicone sheets (IGS) and compared with medical-grade silicone ones (MS), which were commonly manufactured into catheters or drainage tubes in clinical use. The results reveal that PPX deposited at high ωp or high fp, in comparison with MS, exhibit better cell proliferation and clearly shows less cell adhesion regardless of ωp and fp. PPX also exhibit a comparatively lower level of platelet adhesion than MS. In the animal study, PPX-coated IGS result in similar local tissue responses at 3, 7 and 28 days (short-term) and 84 days (long-term) after subcutaneous implantation the abdominal wall of rodents compared with respective responses to MS. These results suggest that PPX-coated industrial-grade silicone is one alternative to high cost medical-grade silicone.
Electron-Donating Para-Methoxy Converts a Benzamide-Isoquinoline Derivative into a Highly Sigma-2 Receptor Selective Ligand
Hajipour, Abdol R.; Guo, Lian-Wang; Pal, Arindam; Mavlyutov, Timur; Ruoho, Arnold E.
The sigma-2 (σ2) receptor has been suggested to be a promising target for pharmacological interventions to curb tumor progression. Development of σ2-specific ligands, however, has been hindered by lack of understanding of molecular determinants that underlie selective ligand-σ2 interactions. Here we have explored effects of electron donating and withdrawing groups on ligand selectivity for the σ2 versus σ1 receptor using new benzamide-isoquinoline derivatives. The electron-donating methoxy group increased but the electron-withdrawing nitro group decreased σ2 affinity. In particular, an extra methoxy added to the para-position (5e) of the benzamide phenyl ring of 5f dramatically improved (631 fold) the σ2 selectivity relative to the σ1 receptor. This para-position provided a sensitive site for effective manipulation of the sigma receptor subtype selectivity using either the methoxy or nitro substituent. Our study provides a useful guide for further improving the σ2-over-σ1 selectivity of new ligands. PMID:22055714
Improving Double Docking for Robot-assisted Para-aortic Lymphadenectomy in Endometrial Cancer Staging: Technique and Surgical Outcomes.
Ekdahl, Linnea; Salehi, Sahar; Falconer, Henrik
Robot-assisted para-aortic lymphadenectomy (PALND) may prove to be a challenging procedure, and the ability to reach the planned anatomic landmarks is critical. In this retrospective study between 2012 and 2015, we present surgical data using a modified technique to perform infrarenal PALND for endometrial cancer using double side docking. All women with high-risk endometrial cancer scheduled for complete robotic staging including infrarenal PALND were included in the analysis. During the study period, a total of 76 women were identified. Three patients had disseminated disease and were treated with palliative hysterectomy only. The remaining 73 women underwent surgery with the intention to perform infrarenal PALND. In 7 cases, PALND was aborted because of technical inability to reach the left renal vein (10%). A median of 36 lymph nodes were harvested (pelvic n = 20, para-aortic n = 16). The median operating time (skin to skin) for patients with completed infrarenal PALND was 228 minutes (range, 181-371 minutes). Among all 76 patients, postoperative complications according to the Clavien-Dindo nomenclature were observed in 27 (36%) patients, with 6 (8%) having grade III complications. No patient died within 30 days from surgery. Our technique of double docking for robot-assisted PALND was associated with a success rate of 90%. The described technique seems to be a useful strategy to maximize the likelihood of completing the planned procedure. PMID:27063093
Malaria Rapid Diagnostic Devices: Performance Characteristics of the ParaSight F Device Determined in a Multisite Field Study
Forney, J. Russ; Magill, Alan J.; Wongsrichanalai, Chansuda; Sirichaisinthop, Jeeraphat; Bautista, Christian T.; Heppner, D. Gray; Miller, R. Scott; Ockenhouse, Christian F.; Gubanov, Alex; Shafer, Robyn; DeWitt, Caroline Cady; Quino-Ascurra, Higinio A.; Kester, Kent E.; Kain, Kevin C.; Walsh, Douglas S.; Ballou, W. Ripley; Gasser, Robert A.
Microscopic detection of parasites has been the reference standard for malaria diagnosis for decades. However, difficulty in maintaining required technical skills and infrastructure has spurred the development of several nonmicroscopic malaria rapid diagnostic devices based on the detection of malaria parasite antigen in whole blood. The ParaSight F test is one such device. It detects the presence of Plasmodium falciparum-specific histidine-rich protein 2 by using an antigen-capture immunochromatographic strip format. The present study was conducted at outpatient malaria clinics in Iquitos, Peru, and Maesod, Thailand. Duplicate, blinded, expert microscopy was employed as the reference standard for evaluating device performance. Of 2,988 eligible patients, microscopy showed that 547 (18%) had P. falciparum, 658 (22%) had P. vivax, 2 (0.07%) had P. malariae, and 1,750 (59%) were negative for Plasmodium. Mixed infections (P. falciparum and P. vivax) were identified in 31 patients (1%). The overall sensitivity of ParaSight F for P. falciparum was 95%. When stratified by magnitude of parasitemia (no. of asexual parasites per microliter of whole blood), sensitivities were 83% (>0 to 500 parasites/μl), 87% (501 to 1,000/μl), 98% (1,001 to 5,000/μl), and 98% (>5,000/μl). Device specificity was 86%. PMID:11474008
Gastrointestinal parasitic worms in equines in the Paraíba Valley, State of São Paulo, Brazil.
Pereira, J R; Vianna, S S S
Over a period of 12 years, from 1988 to 2000, a total of 20 individual equines (16 horses and 4 mules) were selected at random, from 10 municipalities in the Paraíba Valley, in the State of São Paulo, Brazil, and then subjected to necropsy for collection of gastrointestinal worms. Individual samples of 10% of the intestinal contents were also taken for counting and identifying the species present, and to establish the prevalence of worms in equine species in the Paraíba Valley. In the sample considered, the presence of parasites ranged from 155 to 1249 worms. Tapeworms (Cestoidea) were present in about 85% of the animals studied, and roundworms (Nematoda) in 100% of the individuals. All the tapeworms collected were of one single species, Anoplocephala perfoliata. In the case of the roundworms, the prevalence of individual species was: 100% for Cyathostomineae, 90% for Oxyuris equi, 70% for Strongylus vulgaris, 45% for S. edentatus, 15% for Strongylus equinus, 60% for Triodontophorus sp., 50% for Gyalocephalus capitatus, 15% for Oesophagodontus robustus and Craterostomum acuticaudatum, and 5% each for Parascaris equorum, Probstimayria vivipara, Habronema muscae, and Trichostrongylus axei. No specimens of flukes (Trematoda) were found in any of the animals studied. PMID:16687215
Incentivos para atraer y retener personal de salud de zonas rurales del Perú: un estudio cualitativo
Huicho, Luis; Canseco, Francisco Díez; Lema, Claudia; Miranda, J. Jaime; Lescano, Andrés G.
El objetivo fue identificar incentivos de atracción y retención en zonas rurales y distantes de Ayacucho, Perú. Fueron realizadas entrevistas en profundidad con 80 médicos, enfermeras, obstetras y técnicos (20 por grupo) de las zonas más pobres y con 11 funcionarios. No existen políticas sistemáticas de atracción y retención de personal de salud en Ayacucho. Los principales incentivos, en orden de importancia, fueron mejoras salariales, oportunidades de formación y capacitación, estabilidad laboral y nombramiento, mejoras en infraestructura y equipos, e incremento del personal. Se mencionaron también mejoras en la vivienda y alimentación, mayor cercanía con la familia y reconocimiento por el sistema de salud. Existen coincidencias y singularidades entre los distintos grupos sobre los incentivos clave para estimular el trabajo rural, que deben considerarse al diseñar políticas públicas. Las iniciativas del Estado deben comprender procesos rigurosos de monitoreo y evaluación, para asegurar que las mismas tengan el impacto deseado. PMID:22488318
Comportamiento Sexual y Autoeficacia para la Negociación de Sexo Más Seguro en Personas Heterosexuales
Pérez-Jiménez, David; Santiago-Rivas, Marimer; Serrano-García, Irma
La autoeficacia se le ha identificado como uno de los factores que puede facilitar o dificultar llevar a cabo sexo más seguro. Estudios revelan que las personas que están el relaciones estables usan métodos de protección menos frecuente que quienes tienen parejas casuales. Realizamos un estudio con 447 personas heterosexuales activas sexualmente. Les administramos un cuestionario dirigido a medir el comportamiento sexual, el uso del condón masculino y la práctica de la masturbación mutua, y la autoeficacia para llevar a cabo estas conductas. Los resultados reflejan que los hombres están más activos sexualmente y que el uso del condón y la práctica de la masturbación mutua como alternativa de sexo más seguro es muy baja. En los casos donde se usa el condón esta práctica es realizada en su mayoría por las personas que se encuentran en una relación de pareja casual. No obstante, los/las participantes tienen altos niveles de autoeficacia hacia ambas prácticas. Aunque la autoeficacia es uno de los factores que incide en decidir llevar a cabo sexo más seguro, ésta no es suficiente para que esta meta se logre. PMID:22837585
Novel point mutations in the German cockroach para sodium channel gene are associated with knockdown resistance (kdr) to pyrethroid insecticides.
Liu, Z; Valles, S M; Dong, K
Knockdown resistance (kdr) to pyrethroid insecticides has been attributed to point mutations in the para sodium channel gene in more than a half dozen insect pest species. In this study, we identified two novel para mutations in five highly resistant kdr-type German cockroach strains. The two mutations, from glutamic acid (E434) to lysine (K434) and from cysteine (C764) to arginine (R764), respectively, are located in the first intracellular linker connecting domains I and II. E434K is located near the beginning of the linker (closest to domain I), whereas C764R is found toward the end of the linker (closest to domain II). Two additional mutations from aspartic acid (D58) to glycine (G58), and from proline (P1880) to leucine (L1888), respectively, were found in one of the resistant strains. The four mutations coexist with the previously identified leucine to phenylalanine (L993F) kdr mutation in IIS6, and are present only in the highly resistant individuals of a given strain. These findings suggest that these mutations might be responsible for high levels of knockdown resistance toward pyrethroid insecticides in the German cockroach. PMID:10899465
Development of a Highly Biocompatible Antituberculosis Nanodelivery Formulation Based on Para-Aminosalicylic Acid—Zinc Layered Hydroxide Nanocomposites
Arulselvan, Palanisamy; El Zowalaty, Mohamed Ezzat; Fakurazi, Sharida; Webster, Thomas J.; Geilich, Benjamin; Hussein, Mohd Zobir
Tuberculosis is a lethal epidemic, difficult to control disease, claiming thousands of lives every year. We have developed a nanodelivery formulation based on para-aminosalicylic acid (PAS) and zinc layered hydroxide using zinc nitrate salt as a precursor. The developed formulation has a fourfold higher efficacy of PAS against mycobacterium tuberculosis with a minimum inhibitory concentration (MIC) found to be at 1.40 μg/mL compared to the free drug PAS with a MIC of 5.0 μg/mL. The newly developed formulation was also found active against Gram-positive bacteria, Gram-negative bacteria, and Candida albicans. The formulation was also found to be biocompatible with human normal lung cells MRC-5 and mouse fibroblast cells-3T3. The in vitro release of PAS from the formulation was found to be sustained in a human body simulated phosphate buffer saline (PBS) solution at pH values of 7.4 and 4.8. Most importantly the nanocomposite prepared using zinc nitrate salt was advantageous in terms of yield and free from toxic zinc oxide contamination and had higher biocompatibility compared to one prepared using a zinc oxide precursor. In summary, these promising in vitro results are highly encouraging for the continued investigation of para-aminosalicylic acid and zinc layered hydroxide nanocomposites in vivo and eventual preclinical studies. PMID:25050392
Brain targeting by intranasal drug delivery (INDD): a combined effect of trans-neural and para-neuronal pathway.
Mustafa, Gulam; Alrohaimi, Abdulmohsen H; Bhatnagar, Aseem; Baboota, Sanjula; Ali, Javed; Ahuja, Alka
The effectiveness of intranasal drug delivery for brain targeting has emerged as a hope of remedy for various CNS disorders. The nose to brain absorption of therapeutic molecules claims two effective pathways, which include trans-neuronal for immediate action and para-neuronal for delayed action. To evaluate the contribution of both the pathways in absorption of therapeutic molecules and nanocarriers, lidocaine, a nerve-blocking agent, was used to impair the action potential of olfactory nerve. An anti-Parkinson drug ropinirole was covalently complexes with (99m)Tc in presence of SnCl2 using in-house developed reduction technology. The radiolabeled formulations were administered intranasally in lidocaine challenged rabbit and rat. The qualitative and quantitative outcomes of neural and non-neural pathways were estimated using gamma scintigraphy and UHPLC-MS/MS, respectively. The results showed a significant (p ≤ 0.005) increase in radioactivity counts and drug concentration in the brain of rabbit and rat compared to the animal groups challenged with lidocaine. This concludes the significant contribution (p ≤ 0.005) of trans-neuronal and para-neuronal pathway in nose to brain drug delivery. Therefore, results proved that it is an art of a formulator scientist to make the drug carriers to exploit the choice of absorption pathway for their instant and extent of action. PMID:24959938
"Estudio tribologico de aceros para moldes. Aplicacion al moldeo por inyeccion de polibutilentereftalato reforzado con fibra de vidrio"
NASA Astrophysics Data System (ADS)
Martinez Mateo, Isidoro Jose
Mould materials for injection moulding of polymers and polymer-matrix composites represent a relevant industrial economic sector due to the large quantity of pieces and components processed. The material selection for mould manufacturing, its composition and heat treatment, the hardening procedures and machining and finishing processes determine the service performance and life of the mould. In the first part of the present study, the relationship between the hardness and microstructure and the wear resistance of mould steels from large blocks has been studied by pin-on-disc tests, studying the main wear mechanisms. In order to determine the surface damage on mould steels under real injection conditions, different commercial steels have been studied by measuring the variation of surface roughness with the number of injected pieces with different reinforcement percentages and different mould geometries, by using optical profilometry and scanning electron microscopy techniques. It was important to determine the variation of surface roughness of the moulded pieces with the number of injection operations. The materials used were polybutyleneterephthalate pure and reinforced with either 20% or 50% glass fibre. For the different mould designs, the evolution of the glass fibre orientation with injection flow has been determined by image analysis and related to roughness changes and surface damage, both of the composite parts and of the mould steel surface. Finally, the abrasion resistance of the composite parts has been studied by scratch tests as a function of the number of injected parts and of the scratch direction with respect to injection flow and glass fibre orientation. Los materiales para moldes de inyeccion de polimeros y materiales compuestos representan un sector economicamente muy relevante debido al gran aumento del numero de componentes fabricados a partir de materiales polimericos obtenidos mediante moldeo por inyeccion. La seleccion del material para la
C-ON bond homolysis in alkoxyamines. Part 12: the effect of the para-substituent in the 1-phenylethyl fragment.
Audran, Gérard; Brémond, Paul; Joly, Jean-Patrick; Marque, Sylvain R A; Yamasaki, Toshihide
The application of alkoxyamines as initiators/controllers in nitroxide mediated polymerization and as agents for theranostics requires the development of switchable (from stable one to labile one) alkoxyamines. One way to achieve this is to tune the polarity of various groups carried by either the alkyl fragment or the nitroxyl fragment. Thus, the effect of protonation/deprotonation of the para-functionalized aryl moiety carried by the alkyl fragment in diethyl(2,2-dimethyl-1-((1,1-dimethylethyl)(1-para-subsitutedphenylethoxy)amino)propyl)phosphonate is investigated. An increase in kd is observed with increasing localized electrical effect, i.e., in the presence of electron withdrawing groups at the para position of the phenyl ring. A striking effect of the intimate ion pair on kd is also observed. PMID:26975717
A taxonomic guide to the brittle-stars (Echinodermata, Ophiuroidea) from the State of Paraíba continental shelf, Northeastern Brazil
Gondim, Anne I.; Alonso, Carmen; Dias, Thelma L. P.; Manso, Cynthia L. C.; Christoffersen, Martin L.
Abstract We provide the first annotated checklist of ophiuroids from the continental shelf of the State of Paraíba, northeastern Brazil. Identification keys and taxonomic diagnoses for 23 species, belonging to 14 genera and 8 families, are provided. The material is deposited in the Invertebrate Collection Paulo Young, at the Federal University of Paraíba. Ophiopsila hartmeyeri represents the first record for the northeastern region of Brazil, while Ophiolepis impressa, Ophiolepis paucispina, Amphiura stimpsoni, Amphiodia riisei, Ophiactis quinqueradia, Ophiocoma wendtii and Ophionereis olivaceae are new records for the State of Paraíba. The number of species known for the state was increased from 16 to 23, representing approximately 17% of the species known for Brazil and 54% of the species known for northeastern Brazil. The recorded fauna has a large geographical and bathymetrical distribution. PMID:23794923
Descripción de la zona de alta difusión en un modelo bidimensional para hojas de corriente
NASA Astrophysics Data System (ADS)
Montero, M. F.; Paola, C. A.; Platzeck, A. M.
Los modelos bidimensionales para describir hojas de corriente de alta simetría no suministran una descripción detallada de las regiones donde la difusión es considerablemente importante. Tal es el caso de los modelos desarrollados en la década del '60 por Sweet, Parker, Petschek y Sonnerup. En esta comunicación presentamos una solución de las ecuaciones MHD en el entorno del origen, construyendo series bidimensionales para todas las magnitudes físicas involucradas. Valiéndonos de la alta simetría y de las características del problema, logramos reducir el número de coeficientes a calcular. Utilizamos un programa autoconsistente para extender el cálculo a regiones vecinas con difusión moderada o despreciable.
Binary and ternary recombination of para-H3+ and ortho-H3+ with electrons: State selective study at 77-200 K
NASA Astrophysics Data System (ADS)
Dohnal, Petr; Hejduk, Michal; Varju, Jozef; Rubovič, Peter; Roučka, Štěpán; Kotrík, Tomáš; Plašil, Radek; Glosík, Juraj; Johnsen, Rainer
Measurements in H_3^+ afterglow plasmas with spectroscopically determined relative abundances of H_3^+ ions in the para-nuclear and ortho-nuclear spin states provide clear evidence that at low temperatures (77-200 K) para-H_3^+ ions recombine significantly faster with electrons than ions in the ortho state, in agreement with a recent theoretical prediction. The cavity ring-down absorption spectroscopy used here provides an in situ determination of the para/ortho abundance ratio and yields additional information on the translational and rotational temperatures of the recombining ions. The results show that H_3^+ recombination with electrons occurs by both binary recombination and third-body (helium) assisted recombination, and that both the two-body and three-body rate coefficients depend on the nuclear spin states. Electron-stabilized (collisional-radiative) recombination appears to make only a small contribution.
[New echocardiographic para-apical technic for determining the size and thickness of the wall of the right ventricle in probands and patients with dilated cardiomyopathy].
Dyczynski, J; Schweitzer, L
To evaluate the right ventricular size and free wall thickness a new echocardiographic para-apical technique was developed. All cases were examined from the para-apical window in the extreme left lateral decubitus position, on a special mattress that allowed us to investigate the total apical region. The para-apical transducer position makes it possible to cut the right ventricle cross-sectionally in serial bread-loafing fashion from the apex to the base, like the left ventricle. In this way, using the M-mode technique, either diameters and/or right ventricular free wall thickness as well as shortening fraction could be estimated. To estimate the usefulness of the para-apical technique, a study was performed in 50 normal subjects as well as in 16 patients with dilated cardiomyopathy. In all patients, standard views and the new para-apical view were performed. In five cases, contrast echocardiography of the heart was performed to verify the right-heart anatomy. In five patients, computer-tomography of the heart was performed to see the position of the right-heart chambers in the chest and to evaluate the new para-apical ultrasound window. The standard values for the right ventricle in the control group were (in mean values): diastolic diameter, 28.61 +/- 3.19 mm; systolic diameter, 19.10 +/- 2.40 mm; free wall thickness, 4.46 +/- 1.06 mm and shortening fraction, 32.42% +/- 4.02%. The examined parameters in patients with dilated cardiomyopathy were: diastolic diameter, mean value 38.63 +/- 5.80 mm; systolic diameter, mean value 32.48 +/- 4.96 mm; free wall thickness, mean value 8.70 +/- 1.05 mm and shortening fraction, mean value 15.96 +/- 4.02%.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:3439250
Modelo de accesibilidad de conceptos matematicos aplicados en el curso de Astronomia Descriptiva para estudiantes con impedimentos visuales en la UPR
NASA Astrophysics Data System (ADS)
Isidro Villamizar, Gloria Maria
Este estudio utiliza metodologia de investigacion cualitativa, con el proposito de describir, analizar y evaluar los procesos de diseno y desarrollo de un modelo de accesibilidad que consiste en estrategias de ensenanza de las matematicas para estudiantes con impedimentos visuales matriculados en el curso de Astronomia Descriptiva en la UPR. Se utilizaron las siguientes estrategias para recopilar la informacion, 1) reflexiones de la investigadora en el proceso de diseno y desarrollo de las lecciones adaptadas, que se registraron en un diario reflexivo. 2) entrevista semiestructurada luego de haber trabajado las lecciones de aprendizaje adaptadas con los participantes. 3) observaciones y notas de la investigadora del trabajo de los participantes. Para obtener la informacion de los participantes se obtuvo los permisos institucionales necesarios; se seleccionaron los participantes y se validaron los instrumentos; se realizo el desarrollo de las lecciones adaptadas con los participantes; y finalmente, se analizo la informacion obtenida. El diseno de las lecciones de aprendizaje adaptadas se hizo siguiendo las recomendaciones curriculares de los temas de matematicas aplicados en el curso de Astronomia Descriptiva realizado por la investigadora durante su semestre de internado. El testimonio de las voces de los participantes se obtuvo del proceso de desarrollo de las lecciones de aprendizaje adaptadas de temas seleccionados de conceptos matematicos requeridos en el curso de Astronomia Descriptiva y de la entrevista semiestructurada con los participantes, luego de haber trabajado las lecciones de aprendizaje. Para el desarrollo de las lecciones de aprendizaje, se utilizaron materiales tactiles adaptados, materiales tactiles disenados y materiales disponibles comercialmente. Los textos de las lecciones se imprimieron en tinta y en Braille. Se exhorta a disenar y desarrollar estrategias de ensenanza accesibles, considerando como recursos para evaluar su efectividad a
A graph model, ParaDiGM, and a software tool, VISA, for the representation, design, and simulation of parallel, distributed computations
Demeure, I.M.
The research presented here is concerned with representation techniques and tools to support the design, prototyping, simulation, and evaluation of message-based parallel, distributed computations. The author describes ParaDiGM-Parallel, Distributed computation Graph Model-a visual representation technique for parallel, message-based distributed computations. ParaDiGM provides several views of a computation depending on the aspect of concern. It is made of two complementary submodels, the DCPG-Distributed Computing Precedence Graph-model, and the PAM-Process Architecture Model-model. DCPGs are precedence graphs used to express the functionality of a computation in terms of tasks, message-passing, and data. PAM graphs are used to represent the partitioning of a computation into schedulable units or processes, and the pattern of communication among those units. There is a natural mapping between the two models. He illustrates the utility of ParaDiGM as a representation technique by applying it to various computations (e.g., an adaptive global optimization algorithm, the client-server model). ParaDiGM representations are concise. They can be used in documenting the design and the implementation of parallel, distributed computations, in describing such computations to colleagues, and in comparing and contrasting various implementations of the same computation. He then describes VISA-VISual Assistant, a software tool to support the design, prototyping, and simulation of message-based parallel, distributed computations. VISA is based on the ParaDiGM model. In particular, it supports the editing of ParaDiGM graphs to describe the computations of interest, and the animation of these graphs to provide visual feedback during simulations. The graphs are supplemented with various attributes, simulation parameters, and interpretations which are procedures that can be executed by VISA.
La para-osteo-arthropathie neurogene dans le syndrome de guillain barre: complication rare (à propos d'un cas et revue de la littérature)
Abid, Hatim; El Idrissi, Mohamed; Shimi, Mohamed; El Ibrahimi, Abdelhalim; El Mrini, Abdelmajid
Les para-ostéo-arthropathies neurogènes sont des complications classiques des affections neurologiques centrales, surtout dans les contextes traumatiques. Elles surviennent principalement au voisinage des grosses articulations. Leur physiopathologie exacte reste inconnue malgré de très nombreux travaux et cas rapportés. Il semble que leur survenue au décours d'affections neurologiques périphériques soit exceptionnelle. Nous présentons le cas d'une para-ostéo-arthropathie de hanche bilatérale compliquant un syndrome de Guillain-Barré. PMID:26161168
Out-of-field organ doses and associated radiogenic risks from para-aortic radiotherapy for testicular seminoma
Mazonakis, Michalis Berris, Theocharis; Damilakis, John; Varveris, Charalambos; Lyraraki, Efrossyni
Purpose: The aims of this study were to (a) calculate the radiation dose to out-of-field organs from radiotherapy for stage I testicular seminoma and (b) estimate the associated radiogenic risks. Methods: Monte Carlo methodology was employed to model radiation therapy with typical anteroposterior and posteroanterior para-aortic fields on an anthropomorphic phantom simulating an average adult. The radiation dose received by all main and remaining organs that defined by the ICRP publication 103 and excluded from the treatment volume was calculated. The effect of field dimensions on each organ dose was determined. Additional therapy simulations were generated by introducing shielding blocks to protect the kidneys from primary radiation. The gonadal dose was employed to assess the risk of heritable effects for irradiated male patients of reproductive potential. The lifetime attributable risks (LAR) of radiotherapy-induced cancer were estimated using gender- and organ-specific risk coefficients for patient ages of 20, 30, 40, and 50 years old. The risk values were compared with the respective nominal risks. Results: Para-aortic irradiation to 20 Gy resulted in out-of-field organ doses of 5.0–538.6 mGy. Blocked field treatment led to a dose change up to 28%. The mean organ dose variation by increasing or decreasing the applied field dimensions was 18.7% ± 3.9% and 20.8% ± 4.5%, respectively. The out-of-field photon doses increased the lifetime intrinsic risk of developing thyroid, lung, bladder, prostate, and esophageal cancer by (0.1–1.4)%, (0.4–1.1)%, (2.5–5.4)%, (0.2–0.4)%, and (6.4–9.2)%, respectively, depending upon the patient age at exposure and the field size employed. A low risk for heritable effects of less than 0.029% was found compared with the natural incidence of these defects. Conclusions: Testicular cancer survivors are subjected to an increased risk for the induction of bladder and esophageal cancer following para-aortic radiotherapy. The
Influence of climate variability on land degradation (desertification) in the watershed of the upper Paraíba River
NASA Astrophysics Data System (ADS)
Alves, Telma Lucia Bezerra; de Azevedo, Pedro Vieira; Costa dos Santos, Carlos Antonio
The study aimed to evaluate the influence of the rainfall and aridity index variability on the process of land degradation (desertification) in order to establish the current degree of increase or decrease in dryness in the watershed of the upper Paraíba River. It included all or part of 18 municipalities, distributed in the western and eastern Cariri regions of Paraíba state. The monthly average values of reference evapotranspiration according to Penman-Monteith method were applied in the annual hydrological balance for obtaining the annual time series of the aridity index for the period from 1950 to 2013. The Mann-Kendall test (MK) was used for trend identification in the annual time series of rainfall and aridity index, at a significance level of α = 0.05. The slope of the trends was obtained by Sen's method, and the values of rainfall, aridity index, and statistics MK were spatially kriging, to generate thematic maps. The results indicate an increase in rainfall and reduced dryness in the watershed of the upper Paraíba River, conditions that do not contribute to trigger the process of land degradation (desertification), indicating that the cause of this environmental problem is not climatic. Thus, it can be suggested that the observed manifestations of land degradation (desertification) derive much of human than climatic actions. However, there is a trend of increasing dryness and reducing rainfall in the central portion of the watershed, with stronger core in the location of Camalaú. The spatial distribution of rainfall and aridity index shows that minimum values of rainfall coincide with maximum values of the aridity index. Higher values of rainfall were observed in the northwestern portion of the watershed, while the northeast and southeast portions had the lower rainfall values, with the strongest core in the locality of Cabaceiras. The eastern sector of the watershed has high dryness, unlike the western sector, rainier, with minimum values of dryness
Protein Phosphatase 2A (PP2A) Regulatory Subunits ParA and PabA Orchestrate Septation and Conidiation and Are Essential for PP2A Activity in Aspergillus nidulans
Zhong, Guo-wei; Jiang, Ping; Qiao, Wei-ran; Zhang, Yuan-wei; Wei, Wen-fan
Protein phosphatase 2A (PP2A) is a major intracellular protein phosphatase that regulates multiple aspects of cell growth and metabolism. Different activities of PP2A and subcellular localization are determined by its regulatory subunits. Here we identified and characterized the functions of two protein phosphatase regulatory subunit homologs, ParA and PabA, in Aspergillus nidulans. Our results demonstrate that ParA localizes to the septum site and that deletion of parA causes hyperseptation, while overexpression of parA abolishes septum formation; this suggests that ParA may function as a negative regulator of septation. In comparison, PabA displays a clear colocalization pattern with 4′,6-diamidino-2-phenylindole (DAPI)-stained nuclei, and deletion of pabA induces a remarkable delayed-septation phenotype. Both parA and pabA are required for hyphal growth, conidiation, and self-fertilization, likely to maintain normal levels of PP2A activity. Most interestingly, parA deletion is capable of suppressing septation defects in pabA mutants, suggesting that ParA counteracts PabA during the septation process. In contrast, double mutants of parA and pabA led to synthetic defects in colony growth, indicating that ParA functions synthetically with PabA during hyphal growth. Moreover, unlike the case for PP2A-Par1 and PP2A-Pab1 in yeast (which are negative regulators that inactivate the septation initiation network [SIN]), loss of ParA or PabA fails to suppress defects of temperature-sensitive mutants of the SEPH kinase of the SIN. Thus, our findings support the previously unrealized evidence that the B-family subunits of PP2A have comprehensive functions as partners of heterotrimeric enzyme complexes of PP2A, both spatially and temporally, in A. nidulans. PMID:25280816
Alignment of CH3F in para-H2 crystal studied by IR quantum cascade laser polarization spectroscopy.
Kawasaki, Hiroyuki; Mizoguchi, Asao; Kanamori, Hideto
In order to investigate the alignment of CH3F in para-H2 crystals, high resolution polarization spectroscopy of the ν3 vibrational band is studied using a quantum cascade laser at 1040 cm(-1). It is found that the main and satellite series of peaks in the ν3 vibrational band of CH3F have the same polarization dependence. This result supports the previously proposed cluster model with ortho-H2 in first and second nearest neighbor sites. The observed polarization dependence function is well described by a simple six-axis void model in which CH3F is not aligned along the c-axis of the crystal but tilted to 64.9(3)° from it. PMID:27179483
Rotational excitation of H2O by para-H2 from an adiabatically reduced dimensional potential
NASA Astrophysics Data System (ADS)
Scribano, Yohann; Faure, Alexandre; Lauvergnat, David
Cross sections and rate coefficients for low lying rotational transitions in H2O colliding with para-hydrogen pH2 are computed using an adiabatic approximation which reduces the dimensional dynamics from a 5D to a 3D problem. Calculations have been performed at the close-coupling level using the recent potential of Valiron et al. [J. Chem. Phys. 129, 134306 (2008), 10.1063/1.2988314]. A good agreement is found between the reduced adiabatic calculations and the 5D exact calculations, with an impressive time saving and memory gain. This adiabatic reduction of dimensionality seems very promising for scattering studies involving the excitation of a heavy target molecule by a light molecular projectile.
Alignment of CH3F in para-H2 crystal studied by IR quantum cascade laser polarization spectroscopy
NASA Astrophysics Data System (ADS)
Kawasaki, Hiroyuki; Mizoguchi, Asao; Kanamori, Hideto
In order to investigate the alignment of CH3F in para-H2 crystals, high resolution polarization spectroscopy of the ν3 vibrational band is studied using a quantum cascade laser at 1040 cm-1. It is found that the main and satellite series of peaks in the ν3 vibrational band of CH3F have the same polarization dependence. This result supports the previously proposed cluster model with ortho-H2 in first and second nearest neighbor sites. The observed polarization dependence function is well described by a simple six-axis void model in which CH3F is not aligned along the c-axis of the crystal but tilted to 64.9(3)° from it.
Uniaxial growth of nonlinear optical active lithium para-nitrophenolate trihydrate single crystal by Sankaranarayanan Ramasamy (SR) method
NASA Astrophysics Data System (ADS)
Dinakaran, S.; Jerome Das, S.
Optically transparent bulk single crystal of lithium para-nitrophenolate trihydrate has been grown along (1 1 0) plane using the uniaxial crystal growth method of Sankaranarayanan-Ramasamy with a slight modification in the growth assembly. The crystal was grown with a growth rate of 7 mm per day up to a dimensions of 80 mm length and 12 mm diameter with in a period of 12 days having cylindrical morphology. The grown crystal was confirmed by single crystal X-ray diffraction analysis. The optical transparency of the crystal was observed by UV-Vis-NIR spectral analysis. The mechanical strength of the grown crystal was tested by Vickers microhardness test along the growth plane (1 1 0). Frequency dependent dielectric studies were carried out along the growth axis.
A computational study on surface-enhanced Raman spectroscopy of para-substituted Benzenethiol derivatives adsorbed on gold nanoclusters.
You, Tingting; Liang, Xiu; Gao, Yukun; Yin, Penggang; Guo, Lin; Yang, Shihe
We presented a computational study on para-substituted Benzenethiol (x-BT, x=H, F, Cl, Br, OH, SH, SeH, NH2, CH3) derivatives interacting with gold cluster for chemical effects related to surface-enhanced Raman spectroscopy (SERS). Density functional theory (DFT) calculations were performed on a series of bridge-type and vertex type x-BT/Au13 complexes for geometric, electronic and excitation properties to determine the key factor in spectral enhancement. Results indicated that off-resonance enhancement factors of bridge-type and vertex-type complexes exhibited different dependency on substitutions, which was greatly influenced by molecule-cluster transitions instead of properties such as interaction energy and charge transfer due to same origination for off-resonance and resonance chemical enhancement. PMID:26231778
A computational study on surface-enhanced Raman spectroscopy of para-substituted Benzenethiol derivatives adsorbed on gold nanoclusters
NASA Astrophysics Data System (ADS)
You, Tingting; Liang, Xiu; Gao, Yukun; Yin, Penggang; Guo, Lin; Yang, Shihe
We presented a computational study on para-substituted Benzenethiol (x-BT, x = H, F, Cl, Br, OH, SH, SeH, NH2, CH3) derivatives interacting with gold cluster for chemical effects related to surface-enhanced Raman spectroscopy (SERS). Density functional theory (DFT) calculations were performed on a series of bridge-type and vertex type x-BT/Au13 complexes for geometric, electronic and excitation properties to determine the key factor in spectral enhancement. Results indicated that off-resonance enhancement factors of bridge-type and vertex-type complexes exhibited different dependency on substitutions, which was greatly influenced by molecule-cluster transitions instead of properties such as interaction energy and charge transfer due to same origination for off-resonance and resonance chemical enhancement.
Photogeneration Action Spectroscopy of Neutral and Charged Excitations in Films of a Ladder-Type Poly(Para-Phenylene)
Wohlgenannt, M.; Vardeny, Z.V.; Graupner, W.; Wohlgenannt, M.; Graupner, W.; Leising, G.
The photogeneration quantum efficiency action spectra of long-lived neutral and charged excitations in films of a ladder-type poly(para-phenylene) were measured. We found that both triplet and polaron action spectra show, in addition to a step function increase at the optical gap, a monotonic rise at higher energies. For triplets this rise is explained by singlet exciton fission into triplet pairs from which the triplet exciton energy in the gap was obtained; this energy was also confirmed by measuring the weak phosphorescence band. For polarons the photogeneration increase at high energies is modeled by a novel hot electron interchain tunneling process. {copyright} {ital 1999} {ital The American Physical Society}
A detailed perceptive on the growth and characterization studies of para amino hippuric acid (PAHA) single crystals
NASA Astrophysics Data System (ADS)
Sathesh Kumar, K.; Srinivasan, P.; Mahadevan Pillai, V. P.
Single crystals of para amino hippuric acid (PAHA) were grown by slow evaporation technique. The spectral and its structural properties of the crystals were studied by FT-IR, micro-Raman and factor group analysis. The optical transparency in the UV-Visible regions was found to be good for non-linear optics (NLO) applications. Thermogravimetric analysis (TGA) and Differential Thermal Analysis (DTA) showed that the compound decomposes beyond 300 °C. The dielectric behavior of the compound predicts low dielectric loss at high frequency applied whereas in the case of mechanical behavior of the specimen hardness increases with increasing applied load. After certain weight increase, hardness gets saturated in the region of ⩾110. Relative second harmonic efficiency of the compound is found to be 1.8 times greater than that of potassium di-phosphate reference.
Seasonal variability of Saturn's tropospheric temperatures, winds and para-H2 from Cassini far-IR spectroscopy
NASA Astrophysics Data System (ADS)
Fletcher, Leigh N.; Irwin, P. G. J.; Achterberg, R. K.; Orton, G. S.; Flasar, F. M.
Far-IR 16-1000 μ m spectra of Saturn's hydrogen-helium continuum measured by Cassini's Composite Infrared Spectrometer (CIRS) are inverted to construct a near-continuous record of upper tropospheric (70-700 mbar) temperatures and para-H2 fraction as a function of latitude, pressure and time for a third of a saturnian year (2004-2014, from northern winter to northern spring). The thermal field reveals evidence of reversing summertime asymmetries superimposed onto the belt/zone structure. The temperature structure is almost symmetric about the equator by 2014, with seasonal lag times that increase with depth and are qualitatively consistent with radiative climate models. Localised heating of the tropospheric hazes (100-250 mbar) create a distinct perturbation to the temperature profile that shifts in magnitude and location, declining in the autumn hemisphere and growing in the spring. Changes in the para-H2 (fp) distribution are subtle, with a 0.02-0.03 rise over the spring hemisphere (200-500 mbar) perturbed by (i) low-fp air advected by both the springtime storm of 2010 and equatorial upwelling; and (ii) subsidence of high-fp air at northern high latitudes, responsible for a developing north-south asymmetry in fp . Conversely, the shifting asymmetry in the para-H2 disequilibrium primarily reflects the changing temperature structure (and hence the equilibrium distribution of fp), rather than actual changes in fp induced by chemical conversion or transport. CIRS results interpolated to the same point in the seasonal cycle as re-analysed Voyager-1 observations (early northern spring) show qualitative consistency from year to year (i.e., the same tropospheric asymmetries in temperature and fp), with the exception of the tropical tropopause near the equatorial zones and belts, where downward propagation of a cool temperature anomaly associated with Saturn's stratospheric oscillation could potentially perturb tropopause temperatures, para-H2 and winds. Quantitative
The ParaDNA® Screening System - a case study in bringing forensic R&D to market.
Dawnay, Nick; Ahmed, Romana; Naif, Sarah
The creation of new technologies and their application to forensic science is key to the field's development. Rapid DNA profiling is one such area of research which has grown in response to a desire from enforcement authorities for in-house forensic DNA processing and rapid access to forensic genetic intelligence. However, introducing novel technologies into the forensics market must be carefully monitored and controlled as the success or failure of any technology ultimately has long standing implications for victims, suspects, and also to Police and forensic practitioners. This article outlines the research, development, validation and implementation of the ParaDNA® Screening System as a case study in taking forensic research and development to market. PMID:25498937
Measurements of the H2(13)CO ortho/para ratio in cold dark molecular clouds
NASA Technical Reports Server (NTRS)
Minh, Y. C.; Dickens, J. E.; Irvine, W. M.; McGonagle, D.
H2(13)CO has been detected for the first time toward cold dark molecular clouds using the NRAO 12 m telescope. The H2(13)CO ortho/para abundance ratio R for B335, which we report as R approximately 1.7, suggests equilibrium at the local kinetic temperature and appears to be distinctly different from that for both TMC-1 and L134N, where R is close to or higher than the statistical value 3. Since only B335 among the observed positions includes an imbedded IR source, this difference may result from heating of the grain surfaces, providing the energy necessary for desorption of formaldehyde formed on the grains.
The sensitization of near-ultraviolet radiation killing of mammalian cells by the sunscreen agent para-aminobenzoic acid
Osgood, P.J.; Moss, S.H.; Davies, D.J.
The wavelengths of sunlight considered to be responsible for erythema and skin cancer formation are in the range 290-340 nm. Formulated sunscreens usually contain an agent that absorbs in this wavelength region, and one of the most widely used is para-aminobenzoic acid (PABA). Previous work has demonstrated the sensitization by PABA of the lethal and mutagenic effects of near-ultraviolet (UV) radiation in a model bacterial system. Experiments with the mouse lymphoma L5178Y cell line have now demonstrated sensitization by PABA of the lethal effect of near-UV radiation, the extent of which, after correction for absorption of UV radiation by PABA, bears a direct relationship to PABA concentration. The limitations of these results in predicting the response of human skin to the presence of PABA during exposure to UV radiation is emphasized.
Overriding ortho-para selectivity via a traceless directing group relay strategy: the meta-selective arylation of phenols.
Luo, Junfei; Preciado, Sara; Larrosa, Igor
The direct functionalization of phenols at the ortho and para position is generally facilitated by the electron-donating nature of the hydroxyl group. Accessing meta-functionalized phenols from the parent phenols, on the other hand, generally requires lengthy synthetic sequences. Here, we report the first methodology for the one-pot direct meta-selective arylation of phenols. This methodology is based on a traceless directing group relay strategy. In this process carbon dioxide is used as a transient directing group which facilitates a palladium catalyzed arylation meta to the phenol hydroxyl group with iodoarenes. This transformation proceeds with complete meta-selectivity and is compatible with a variety of functional groups both in the phenol and in the iodoarene coupling partner. PMID:24612008
Gavilan, L.; Lemaire, J. L.; Dulieu, F.; Congiu, E.; Chaabouni, H.; Vidali, G.; Chehrouri, M.; Fillion, J.-H.
Several astronomical observations have shown that the ortho/para ratio (OPR) of H{sub 2} can differ from the expected statistical value of 3 or the local thermodynamic equilibrium (LTE) value at the gas or dust temperature. It is thus important to know the OPR of H{sub 2} newly formed on dust grain surfaces, in order to clarify the dependence of the observed OPR in space on the formation process. Using an experimental setup designed to mimic interstellar medium environments, we measured the OPR of H{sub 2} and D{sub 2} formed on the surface of porous amorphous water ice held at 10 K. We report for the first time the OPR value for newly formed D{sub 2}, consistent with the expected LTE value at the high-temperature limit found by previous theoretical and experimental works on the determination of the OPR upon H{sub 2} formation on surfaces at low temperature.
Refractive index and solubility control of para-cymene solutions for index-matched fluid-structure interaction studies
NASA Astrophysics Data System (ADS)
Fort, Charles; Fu, Christopher D.; Weichselbaum, Noah A.; Bardet, Philippe M.
To deploy optical diagnostics such as particle image velocimetry or planar laser-induced fluorescence (PLIF) in complex geometries, it is beneficial to use index-matched facilities. A binary mixture of para-cymene and cinnamaldehyde provides a viable option for matching the refractive index of acrylic, a common material for scaled models and test sections. This fluid is particularly appropriate for large-scale facilities and when a low-density and low-viscosity fluid is sought, such as in fluid-structure interaction studies. This binary solution has relatively low kinematic viscosity and density; its use enables the experimentalist to select operating temperature and to increase fluorescence signal in PLIF experiments. Measurements of spectral and temperature dependence of refractive index, density, and kinematic viscosity are reported. The effect of the binary mixture on solubility control of Rhodamine 6G is also characterized.
Excited state spectroscopy of para di-substituted benzenes in a supersonic beam using resonant two photon ionization
NASA Astrophysics Data System (ADS)
Tembreull, R.; Dunn, T. M.; Lubman, D. M.
Excited state vibronic spectra of p-aminophenol, p-cresol, p-fluoroaniline, p-fluorophenol, hydroquinone and p-toluidine have been obtained using resonant two photon ionization supersonic beam mass spectrometry. Despite marked similarities in the spectra, notable differences exist and different para polyatomic substituents in the same molecule show vibronic evidence of their real molecular symmetry of C2ν. Expansion of the ring is also noted upon excitation in all cases. Further, it is now evident that the assignment of some vibronic bands historically interpreted as sequence structure must be reconsidered since molecules like hydroquinone are mixtures of cis and trans and others have a vibronic structure arising from the polyatomic nature of the substituents ( cƒ. CH 3).
Para amino benzoic acid-derived self-assembled biocompatible nanoparticles for efficient delivery of siRNA
Reddy, Teegala Lakshminarayan; Krishnarao, P Sivarama; Rao, Garikapati Koteswara; Bhimireddy, Eswar; Venkateswarlu, P; Mohapatra, Debendra K; Yadav, JS; Bhadra, Utpal; Pal Bhadra, Manika
A number of diseases can result from abnormal gene expression. One of the approaches for treating such diseases is gene therapy to inhibit expression of a particular gene in a specific cell population by RNA interference. Use of efficient delivery vehicles increases the safety and success of gene therapy. Here we report the development of functionalized biocompatible fluorescent nanoparticles from para amino benzoic acid nanoparticles for efficient delivery of short interfering RNA (siRNA). These nanoparticles were non-toxic and did not interfere with progression of the cell cycle. The intrinsic fluorescent nature of these nanoparticles allows easy tracking and an opportunity for diagnostic applications. Human Bcl-2 siRNA was complexed with these nanoparticles to inhibit expression in cells at both the transcriptional and translational levels. Our findings indicated high gene transfection efficiency. These biocompatible nanoparticles allow targeted delivery of siRNA, providing an efficient vehicle for gene delivery. PMID:26491299
[Granuloma Gravidarum in a 37-year-old 1st Gravida, 1st Para--A Case Report].
Findeklee, S
The granuloma gravidarum is a rare benign tumour with gingival origin. It occurs in circa 0.2% of pregnancies. Mostly we see an asymptomatic course of disease terminated by hormonal changes after delivery. If the granuloma is associated with complaints of the pregnant woman, for example masticational pain or recurrent bleedings, therapeutic options are conservative therapy, surgery or delivery. We report the case of a 37-year-old 1st gravida, 1st para who had an induced delivery in the 39+2 gestational week because of a symptomatic granuloma gravidarum. We saw a spontaneous remission of the granuloma within 3 months post partum. The case report underlines the importance of suitable information for pregnant women about oral hygiene and the necessity of regular dental controls during pregnancy for prophylaxis of granuloma gravidarum. PMID:26402852
Binding Pocket Alterations in Dihydrofolate Synthase Confer Resistance to para-Aminosalicylic Acid in Clinical Isolates of Mycobacterium tuberculosis
Zhao, Fei; Wang, Xu-De; Erber, Luke N.; Luo, Ming; Guo, Ai-zhen; Yang, Shan-shan; Gu, Jing; Turman, Breanna J.; Gao, Yun-rong; Li, Dong-fang; Cui, Zong-qiang; Zhang, Zhi-ping; Bi, Li-jun; Baughn, Anthony D.
The mechanistic basis for the resistance of Mycobacterium tuberculosis to para-aminosalicylic acid (PAS), an important agent in the treatment of multidrug-resistant tuberculosis, has yet to be fully defined. As a substrate analog of the folate precursor para-aminobenzoic acid, PAS is ultimately bioactivated to hydroxy dihydrofolate, which inhibits dihydrofolate reductase and disrupts the operation of folate-dependent metabolic pathways. As a result, the mutation of dihydrofolate synthase, an enzyme needed for the bioactivation of PAS, causes PAS resistance in M. tuberculosis strain H37Rv. Here, we demonstrate that various missense mutations within the coding sequence of the dihydropteroate (H2Pte) binding pocket of dihydrofolate synthase (FolC) confer PAS resistance in laboratory isolates of M. tuberculosis and Mycobacterium bovis. From a panel of 85 multidrug-resistant M. tuberculosis clinical isolates, 5 were found to harbor mutations in the folC gene within the H2Pte binding pocket, resulting in PAS resistance. While these alterations in the H2Pte binding pocket resulted in reduced dihydrofolate synthase activity, they also abolished the bioactivation of hydroxy dihydropteroate to hydroxy dihydrofolate. Consistent with this model for abolished bioactivation, the introduction of a wild-type copy of folC fully restored PAS susceptibility in folC mutant strains. Confirmation of this novel PAS resistance mechanism will be beneficial for the development of molecular method-based diagnostics for M. tuberculosis clinical isolates and for further defining the mode of action of this important tuberculosis drug. PMID:24366731
Direct observation and modelling of ordered hydrogen adsorption and catalyzed ortho-para conversion on ETS-10 titanosilicate material.
Ricchiardi, Gabriele; Vitillo, Jenny G; Cocina, Donato; Gribov, Evgueni N; Zecchina, Adriano
Hydrogen physisorption on porous high surface materials is investigated for the purpose of hydrogen storage and hydrogen separation, because of its simplicity and intrinsic reversibility. For these purposes, the understanding of the binding of dihydrogen to materials, of the structure of the adsorbed phase and of the ortho-para conversion during thermal and pressure cycles are crucial for the development of new hydrogen adsorbents. We report the direct observation by IR spectroscopic methods of structured hydrogen adsorption on a porous titanosilicate (ETS-10), with resolution of the kinetics of the ortho-para transition, and an interpretation of the structure of the adsorbed phase based on classical atomistic simulations. Distinct infrared signals of o- and p-H2 in different adsorbed states are measured, and the conversion of o- to p-H2 is monitored over a timescale of hours, indicating the presence of a catalyzed reaction. Hydrogen adsorption occurs in three different regimes characterized by well separated IR manifestations: at low pressures ordered 1:1 adducts with Na and K ions exposed in the channels of the material are formed, which gradually convert into ordered 2:1 adducts. Further addition of H2 occurs only through the formation of a disordered condensed phase. The binding enthalpy of the Na+-H2 1:1 adduct is of -8.7+/-0.1 kJ mol(-1), as measured spectroscopically. Modeling of the weak interaction of H2 with the materials requires an accurate force field with a precise description of both dispersion and electrostatics. A novel three body force field for molecular hydrogen is presented, based on the fitting of an accurate PES for the H2-H2 interaction to the experimental dipole polarizability and quadrupole moment. Molecular mechanics simulations of hydrogen adsorption at different coverages confirm the three regimes of adsorption and the structure of the adsorbed phase. PMID:17627319
Stimulated Raman scattering and four-wave mixing in CO/sub 2/-pumped para-H/sub 2/
Carlsten, J.L.; Kurnit, N.A.
The Stokes source and CO/sub 2/ are combined with orthogonal polarization on a Ge beamsplitter and rendered oppositely circularly polarized by a KBr Fresnel rhomb, and then co-propagated through the amplifying medium contained in a 3m LN/sub 2/-cooled alumina waveguide. With this system, gain as high as e/sup 9/ on the peak of mode-locked spikes was observed, and with an HF OPO as input source, the system could be driven into pump depletion, but only for well-mode-locked pulses. Work with multipass refocusing cells is described both with a room temperature multipass cell (MPC) and also with a LN/sub 2/-cooled MPC. In addition to the gain measurements with the diode, we have obtained fully-depleted pump pulses with an OPO input, and have observed two-frequency depletion using two-pump pulses and one Stokes input, which is initiated by four-wave mixing. We have also obtained pump depletion starting from noise with a strong 9-..mu..m pump. The process involved is stimulated rotational Raman scattering in para-H/sub 2/. Scattering occurs from the J = 0 to the J = 2 rotational state which gives a Raman shift of 354.36 cm/sup -1/. By using para-H/sub 2/, from the blowoff of LH/sub 2/, one eliminates the odd rotational levels and thereby increase the gain for the J = 0 to J = 2 Raman transition. Results are presented and discussed. (WHK)
[Efficacy of UFT in the treatment of para-aortic lymph node metastasis following gastric cancer surgery: case report].
Ishikawa, T; Matsusaka, T; Wakasugi, K; Tashiro, H; Yanaga, K; Yamamura, S; Sonoda, K; Kume, K
The patient was a 68-year-old man who underwent pyloric gastrectomy for advanced stomach cancer on December 6, 1996. The histopathological diagnosis was poorly differentiated adenocarcinoma, ss, ly3, v1, n2 (+), and stage IIIa. Postoperative adjuvant chemotherapy consisted of short-term intravenous infusion of 5-FU, 320 mg/m2/day (= 480 mg/body) for 5 days beginning on postoperative day (POD) 1, and oral 5-FU, 200 mg/day, for 1 year beginning on POD 14. The preoperative CEA value was 316.2 ng, but it fluctuated below 10 ng postoperatively. About one year after the operation, the patient began to complain of epigastric pain, loss of appetite, and general malaise. CT of the upper abdomen revealed a 1.5-cm para-aortic lymph node, and the CEA value of 319.0 ng was abnormally high. 5-FU was stopped, oral UFT at 300 mg/day was started, and the patient's course was followed. Three months after the start of UFT, the lymph node had shrunk on CT (shrinkage rate: 66.7%), and the CEA value had decreased to 14.3 ng. As though corresponding to these changes there was a gradual decrease in the epigastric pain, general malaise, etc., and the patient's appetite also returned. There were no subsequent elevations in the CEA values or increases in the size of the para-aortic lymph nodes, and the patient's general condition was favorably maintained. UFT appeared to be effective against the lymph node metastasis around the aorta in this case. PMID:10832445
New maser emission from nonmetastable ammonia in NGC 7538. IV. Coincident masers in adjacent states of para-ammonia
Hoffman, Ian M.; Joyce, Spenser A.
We present the first detection of para-ammonia masers in NGC 7538: multiple epochs of observation of the {sup 14}NH{sub 3} (J, K) = (10, 8) and (9,8) lines. We detect both thermal absorption and nonthermal emission in the (10,8) and (9,8) transitions and the absence of a maser in the (11,8) transition. The (9,8) maser is observed to increase in intensity by 40% over six months. Using interferometric observations with a synthesized beam of 0.''25, we find that the (10,8) and (9,8) masers originate at the same sky position near IRS 1. With strong evidence that the (10,8) and (9,8) masers arise in the same volume, we discuss the application of pumping models for the simultaneous excitation of nonmetastable (J > K) para-ammonia states having the same value of K and consecutive values of J. We also present detections of thermal absorption in rotational states ranging in energy from E/k{sub B} ∼ 200 K to 2000 K, and several non-detections in higher-energy states. In particular, we describe the populations in eight adjacent rotational states with K = 6, including two maser transitions, along with the implications for ortho-ammonia pumping models. An existing torus model for molecular gas in the environment of IRS 1 has been applied to the masers; a variety of maser species are shown to agree with the model. Historical and new interferometric observations of {sup 15}NH{sub 3} (3,3) masers in the region indicate a precession of the rotating torus at a rate comparable to continuum-emission-based models of the region. We discuss the general necessity of interferometric observations for diagnosing the excitation state of the masers and for determining the geometry of the molecular environment.
Neoplasias de células plasmáticas (incluso mieloma múltiple)—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del mieloma múltiple y otras neoplasias de células plasmáticas, así como referencias a estudios clínicos, investigación, estadísticas y otros temas.
Cáncer de riñón (células renales)—Versión para profesionales de salud
Información del Instituto Nacional del Cáncer para profesionales de salud sobre el tratamiento del cáncer de riñón, así como referencias a estudios clínicos, investigación, estadísticas y otros temas relacionados con este tipo de cáncer.
Un nuevo fármaco puede ser una opción de tratamiento para algunos cánceres de mama
Los resultados de un estudio clínico internacional permiten suponer que, en poco tiempo, habrá otra opción de tratamiento para las mujeres con cáncer de mama metastásico HER2 positivo que deja de responder a los tratamientos dirigidos con trastuzumab.
NCI adopta el sendero científico para lograr las metas de la Misión contra el Cáncer
El director interino del NCI, doctor Douglas Lowy, aceptó hoy las recomendaciones de un Panel Listón Azul para 10 planteamientos científicos que en cinco años lograrán un progreso contra el cáncer equivalente a una década de trabajo.
A travs de su historia, la Agencia de Proteccin del Medio Ambiente estadounidense (U.S. Environmental Protection Agency, EPA) ha evaluado distintas tecnologas para determinar su efectividad en el monitoreo, la prevencin, el control, y la limpieza de la contaminacin ambiental. Sin...
Removal of Arsenic in Drinking Water Kinetico Inc. and Alcan Chemicals Para-Flo™ PF60 Model AA08AS with Actiguard AAFS50
Testing of the Kinetico Inc. and Alean Chemicals Para-FloTM PF60 Model AA08AS with Actiguard AAFS50 arsenic adsorption media filter system was conducted at the Orchard Hills Mobile Home Park (MHP) Water Treatment Plant (WTP) in Carroll Township, Pennsylvania. The source water,...
Refinement of the experimental dynamic structure factor for liquid para-hydrogen and ortho-deuterium using semi-classical quantum simulation
Smith, Kyle K. G. Rossky, Peter J.; Poulsen, Jens Aage; Cunsolo, A.
The dynamic structure factor of liquid para-hydrogen and ortho-deuterium in corresponding thermodynamic states (T = 20.0 K, n = 21.24 nm{sup −3}) and (T = 23.0 K, n = 24.61 nm{sup −3}), respectively, has been computed by both the Feynman-Kleinert linearized path-integral (FK-LPI) and Ring-Polymer Molecular Dynamics (RPMD) methods and compared with Inelastic X Ray Scattering spectra. The combined use of computational and experimental methods enabled us to reduce experimental uncertainties in the determination of the true sample spectrum. Furthermore, the refined experimental spectrum of para-hydrogen and ortho-deuterium is consistently reproduced by both FK-LPI and RPMD results at momentum transfers lower than 12.8 nm{sup −1}. At larger momentum transfers the FK-LPI results agree with experiment much better for ortho-deuterium than for para-hydrogen. More specifically we found that for k ∼ 20.0 nm{sup −1} para-hydrogen provides a test case for improved approximations to quantum dynamics.
Perspectivas para mejorar la salud sexual de las minorías sexuales y de identidad de género en Guatemala
Alonzo, Jorge; Mann, Lilli; Simán, Florence; Sun, Christina J.; Andrade, Mario; Villatoro, Guillermo; Rhodes, Scott D.
Resumen Las minorías sexuales y de identidad de género en Guatemala son afectadas de manera desproporcionada por el VIH y otras infecciones transmitidas sexualmente (ITS). Sin embargo, poco se sabe de los factores que contribuyen al riesgo de infección en estas minorías. Investigadores de Estados Unidos y Guatemala quisimos informarnos sobre las necesidades de salud sexual e identificar características de programas de prevención de VIH/ITS para estas minorías. Llevamos a cabo 8 grupos focales con hombres gay, bisexuales y personas transgénero y entrevistas en profundidad con líderes comunitarios. Utilizamos el Método Comparativo Constante para analizar las transcripciones. Identificamos 24 factores que influyen en la salud sexual y 16 características de programas para reducir el riesgo de VIH/ITS en estas poblaciones. La identificación de factores de conductas sexuales de riesgo y de características de programas potencialmente efectivos ofrece gran potencial para desarrollar intervenciones que contribuyan a reducir el riesgo de infección por VIH/ITS en estas minorías en Guatemala. PMID:27494000
Comparison of Scores on the WAIS and Its Puerto Rican Counterpart, Escala de Inteligencia Wechsler para Adultos, in an Institutionalized Latin American Psychiatric Population.
ERIC Educational Resources Information Center
Davis, Todd McLin; Rodriguez, Vene L.
Compared vocabulary and block design subtests of the Wechsler Adult Intelligence Scale (WAIS) and its Puerto Rican counterpart, the Escala de Inteligencia Wechsler para Adultos (EIWA), in hospitalized Latins and Trans-Caribbean Blacks. EIWA scores were significantly higher than WAIS scores. Equivalence of EIWA and WAIS estimates is questioned.…
Comunicación en la atención del cáncer (PDQ®)—Versión para profesionales de salud
Resumen de información revisada por expertos sobre la comunicación con el paciente de cáncer y su familia, incluso los aspectos distintivos de la comunicación con pacientes de cáncer, los factores que afectan la comunicación y el entrenamiento de las aptitudes para la comunicación.
Familiares a cargo de pacientes de cáncer: funciones y desafíos (PDQ®)—Versión para profesionales de salud
Sumario informativo revisado por expertos acerca de los desafíos que enfrentan los familiares a cargo de los pacientes con cáncer. Este resumen se centra en las funciones típicas y las inquietudes de las personas a cargo del paciente y en las intervenciones útiles para esas personas.
Development of a Generic Model Aimed at Building Self-Love among Para-Alcoholic Native American Children. A Practicum Report.
ERIC Educational Resources Information Center
Merino, Claralynn
Many Native American communities have high rates of alcoholism. Children growing up in alcoholic families often exhibit co-dependent or para-alcoholic behaviors, which place them at high risk of educational failure. The Love Bug model was designed to encourage culturally appropriate self-expression and to promote self-love and detachment from…
Instituto para la Promocion de la Cultura Civica, A.C.: Mission; Philosophy; Goals and Objectives; Challenge and Commitment; Activities; Publications and Essays; Presence in the Mass Media.
ERIC Educational Resources Information Center
Instituto para la Promocion de la Cultura Civica. Mexico City (Mexico).
The report discusses the activities of the Instituto para la Promocion de la Culture Civica (ICC), a non-partisan, not-for-profit Mexican nongovernmental organization (NGO) that has as its mission: to promote the advancement of a civic culture understood as a system of values, ideas, traits of character, dispositions, inclinations, attitudes,…
NCI adopta el sendero científico para lograr las metas de la Misión Nacional contra el Cáncer
El director interino del NCI, doctor Douglas Lowy, aceptó hoy las recomendaciones de un Panel Listón Azul para 10 planteamientos científicos que en cinco años lograrán un progreso contra el cáncer equivalente a una década de trabajo.
Planificar la transición a la etapa final de la vida (PDQ®)—Versión para pacientes
Resumen de información revisada por expertos sobre la preparación necesaria por parte de los proveedores de atención de la salud, los pacientes y sus familias para la transición a la atención del cáncer avanzado en la etapa final de la vida.
Planificar la transición en la etapa final de la vida (PDQ®)—Versión para profesionales de salud
Resumen de información revisada por expertos sobre la preparación necesaria por parte de los proveedores de atención de la salud, los pacientes y sus familas para la transición a la atención del cáncer avanzado en la etapa final de la vida.
First report of the protozoan parasite Perkinsus marinus in South America, infecting mangrove oysters Crassostrea rhizophorae from the Paraíba River (NE, Brazil).
da Silva, Patricia Mirella; Vianna, Rogério Tubino; Guertler, Cristhiane; Ferreira, Liana Pinho; Santana, Lucas Nunes; Fernández-Boo, Sergio; Ramilo, Andrea; Cao, Asunción; Villalba, Antonio
The present work aimed to study the infection by Perkinsus sp. in the mangrove oysters Crassostrea rhizophorae from the estuary of the Paraíba River (Paraíba State, Brazil). Perkinsosis was detected by incubation of oyster gill pieces in Ray's fluid thioglycollate medium. The monthly prevalence values were all above 70%, thus infection was not likely to be a transient event. Perkinsus sp. parasites isolated from eight oysters were propagated in vitro. PCR-RFLP analysis of in vitro cultured cells as well as the sequences of the rDNA ITS region allowed the identification of the in vitro propagated parasites as Perkinsus marinus. Phylogenetic analyses using rDNA ITS region sequences strongly supported the Perkinsus sp. from Paraíba in a monophyletic group with P. marinus. Thus, the results confirmed the species affiliation of Paraíba Perkinsus sp. as P. marinus. This is the first report of P. marinus in Brazil and South America and the first report of P. marinus naturally infecting C. rhizophorae. PMID:23439264
High-dose Extended-Field Irradiation and High-Dose-Rate Brachytherapy With Concurrent Chemotherapy for Cervical Cancer With Positive Para-Aortic Lymph Nodes
Kim, Young Seok; Kim, Jong Hoon; Ahn, Seung Do; Lee, Sang-wook; Shin, Seong Soo; Nam, Joo-Hyun; Kim, Young-Tak; Kim, Yong-Man; Kim, Jong-Hyeok; Choi, Eun Kyung
Purpose: To determine the efficacy and toxicity of extended-field radiotherapy (RT) with concurrent platinum-based chemotherapy in patients with uterine cervical carcinoma and positive para-aortic nodes. Methods and Materials: We retrospectively reviewed the results for 33 women with Stage IB-IVB cervical cancer. Each patient had received 59.4 Gy, including a three-dimensional conformal boost to the para-aortic lymph nodes and 41.4-50.4 Gy of external beam radiotherapy to the pelvis. Each patient also underwent six or seven applications of high-dose-rate brachytherapy (median, 5 Gy to point A at each session). Results: The median follow-up period of surviving patients was 39 months. The most common acute toxicity was hematologic, observed in 23 women. Severe acute and late gastrointestinal toxicity was observed in 3 and 4 patients, respectively. More than three-quarters of patients showed a complete response, encompassing the primary mass, metastatic pelvic, and para-aortic lymph nodes. Of the 33 women, 15 had no evidence of disease, 6 had persistent disease, 4 developed in-field failures, and 6 developed distant failures. The 5-year overall and disease-free survival rate was 47% and 42%, respectively. Conclusion: Concurrent chemoradiotherapy with extended-field radiotherapy is feasible in women with uterine cervical carcinoma and positive para-aortic lymph nodes, with acceptable late morbidity and a high survival rate, although it was accompanied by substantial acute toxicity.
Desarrollo de un instrumento para medir percepciones sobre el contexto de construccion del conocimiento cientifico de estudiantes universitarios de nuevo ingreso
NASA Astrophysics Data System (ADS)
Garcia-Ramirez, Jaime Antonio
En esta investigacion, se desarrollo un instrumento que permite medir percepciones relacionadas al contexto de constriccion del conocimiento cientifico. Se examinaron instrumentos existentes y se encontro que el VOSTS (Views on science, technology, and society), instrumento desarrollado empiricamente en Canada por Aikenhead, Ryan y Fleming, podia traducirse y validarse en el contexto cultural puertorriqueno. El instrumento es extenso, consta de 113 reactivos, cada uno con una premisa basica relacionada a la tematica ciencia, tecnologia y sociedad y un numero de alternativas relacionadas a la premisa que oscila entre siete y trece. Se delimito su utilizacion a los quince reactivos identificados por los autores como relacionados a la construccion social del conocimiento cientifico. Metodologicamente, se procedio a utilizar el modelo de adaptacion intercultural, que permite que el instrumento desarrollado satisfaga las dimensiones de equivalencia semantica, de contenido, tecnica, de criterio y conceptual, atemperado asi al instrumento original. Se cumplio con este proposito mediante la traduccion de la version original en ingles al espanol y viceversa. Se utilizaron comites para examinar la traduccion y la retro-traduccion del instrumento. Se realizo una prueba piloto con estudiantes universitarios de nuevo ingreso, utilizando el instrumento traducido para asegurar su intelegibilidad. La confiabilidad del instrumento se determino mediante la intervencion de un panel de expertos quienes clasificaron las distintas posiciones dentro de cada reactivo en: realista, con merito e ingenua; se transformaron estas opciones en valores numericos lo que permitio establecer una escala Likert para cada una. Se suministro el instrumento a una muestra de estudiantes universitarios de nuevo ingreso con caracteristicas similares a las de la poblacion puertorriquena en cuanto a ejecucion en las pruebas de aptitud verbal y matematica del College Board. Los resultados de sus contestaciones
Organization and development of zebra finch HVC and paraHVC based on expression of zRalDH, an enzyme associated with retinoic acid production
Olson, Christopher R.; Rodrigues, Paulo Vianney; Jeong, Jin Kwon; Prahl, Daniel J.; Mello, Claudio V.
The zRalDH gene encodes an aldehyde dehydrogenase associated with the conversion of retinaldehyde (the main vitamin A metabolite) into retinoic acid and its expression is highly enriched in the song control system of adult zebra finches (T. gutatta). Within song control nucleus HVC, zRalDH is specifically expressed in the neurons that project to area X of the striatum. It is also expressed in paraHVC, commonly considered a medial extension of HVC that is closely associated with auditory areas in the caudomedial telencephalon. Here we used in situ hybridization to generate a detailed analysis of HVC and paraHVC based on expression of zRalDH for adult zebra finches of both sexes and for males during the song learning period. We demonstrate that the distribution of zRalDH-positive cells can be used for accurate assessments of HVC and paraHVC in adult and juvenile males. We describe marked developmental changes in the numbers of zRalDH-expressing cells in HVC and paraHVC, reaching a peak at day 50 post-hatch, an effect potentially due to dynamic changes in the population of X-projecting cells in HVC. We also show that zRalDH-expressing cells in adult females, although much less numerous than in males, have a surprisingly broad distribution along the medial-to-lateral extent of HVC but are lacking where paraHVC is found in adult males. Our study thus contributes to our understanding of the nuclear organization of the song system and the dynamics of its developmental changes during the song learning period. PMID:21120932
Ortho-to-para ratio of NH2. Herschel-HIFI observations of ortho- and para-NH2 rotational transitions towards W31C, W49N, W51, and G34.3+0.1
NASA Astrophysics Data System (ADS)
Persson, C. M.; Olofsson, A. O. H.; Le Gal, R.; Wirström, E. S.; Hassel, G. E.; Herbst, E.; Olberg, M.; Faure, A.; Hily-Blant, P.; Black, J. H.; Gerin, M.; Lis, D.; Wyrowski, F.
We have used the Herschel-HIFI instrument to observe the two nuclear spin symmetries of amidogen (NH2) towards the high-mass star-forming regions W31C (G10.6-0.4), W49N (G43.2-0.1), W51 (G49.5-0.4), and G34.3+0.1. The aim is to investigate the ratio of nuclear spin types, the ortho-to-para ratio (OPR) of NH2 in the translucent interstellar gas, where it is traced by the line-of-sight absorption, and in the envelopes that surround the hot cores. The HIFI instrument allows spectrally resolved observations of NH2 that show a complicated pattern of hyperfine structure components in all its rotational transitions. The excited NH2 transitions were used to construct radiative transfer models of the hot cores and surrounding envelopes to investigate the excitation and possible emission of the ground-state rotational transitions of ortho-NH2NKa,KcJ = 11,1 3/2-00,0 1/2 (953 GHz) and para-NH2 21,2 5/2-10,1 3/2 (1444 GHz) used in the OPR calculations. Our best estimate of the average OPR in the envelopes lie above the high-temperature limit of three for W49N, specifically 3.5 with formal errors of ±0.1, but for W31C, W51, and G34.3+0.1 we find lower values of 2.5 ± 0.1, 2.7 ± 0.1, and 2.3 ± 0.1, respectively. Values this low are strictly forbidden in thermodynamical equilibrium since the OPR is expected to increase above three at low temperatures. In the translucent interstellar gas towards W31C, where the excitation effects are low, we find similar values between 2.2 ± 0.2 and 2.9 ± 0.2. In contrast, we find an OPR of 3.4 ± 0.1 in the dense and cold filament connected to W51 and also two lower limits of ≳4.2 and ≳5.0 in two other translucent gas components towards W31C and W49N. At low temperatures (T ≲ 50 K) the OPR of H2 is <10-1, far lower than the terrestrial laboratory normal value of three. In this para-enriched H2 gas, our astrochemical models can reproduce the variations of the observed OPR, both below and above the thermodynamical equilibrium value, by
Molluscs production associated to lunar-tide cycle: a case study in Paraíba State under ethnoecology viewpoint
Nishida, Alberto K; Nordi, Nivaldo; Alves, Rômulo RN
Molluscs have been for a long time a very important food resource for humans. Therefore, oysters, clams, and mussels are highly required at seafood markets. Like any commercial food, it is necessary that molluscs present good quality standards, concerning some criteria such as amount of meat and appearance. In bivalves, condition index or fattening index is considered a satisfactory method for estimating the amount of meat related to the shell cavity. Molluscs gatherers of Paraíba State coast, northeastern Brazil, state that molluscan meat production increases during spring tide (designated by them as maré de lançamento) in opposition to the meat decrease which happens during neap tide (maré de quebramento) (they are designated technically in Portuguese as maré de sizígia and maré de quadratura, respectively). Weperformed a survey on the production of unha-de-velho or 'oldman'snail' (Tagelus plebeius) caught by molluscs gatherers in the estuary of River Paraíba do Norte, by observing locally their work, applying questionnaires, searching for a possible scientific relation of that molluscs condition to the gatherers empirical statement. Thus, we estimatedthe molluscs condition index through the method of solids percentage determination. We studied their work and the molluscs condition index during a full lunar-tide cycle. Determinations were carried out between 2nd September and 20th October, 1998, through 20 catches performed to obtain condition index from 400 bivalves. We observed that several biotic and abiotic ecological factors, namely reproduction cycle, biochemical components variations, animal size, and even parasitism, may affect the animal condition index. Despite this aspect, our present results confirmed a high overlapping (80%) of the condition index curve with lunar-tide cycle, in agreement with the gatherers statement. Although we recognize the need for formulating and testing other hypotheses, we consider a priori that the gatherers empirical
On the role of the H2 ortho:para ratio in gravitational collapse during star formation
NASA Astrophysics Data System (ADS)
Vaytet, Neil; Tomida, Kengo; Chabrier, Gilles
Context. Hydrogen molecules (H2) come in two forms, ortho- and para-hydrogen, corresponding to the two different spin configurations of the two hydrogen atoms. The relative abundances of the two flavours in the interstellar medium are still very uncertain, and this abundance ratio has a significant impact on the thermal properties of the gas. In the context of star formation, theoretical studies have recently adopted two different strategies when considering the ortho:para ratio (OPR) of H2 molecules. The first considers the OPR to be frozen at 3:1, while the second assumes that the species are in thermal equilibrium at all temperatures. Aims: As the OPR potentially affects the protostellar cores that form as a result of the gravitational collapse of a dense molecular cloud, the aim of this paper is to quantify precisely what role the choice of OPR plays in the properties and evolution of the cores. Methods: We used two different ideal gas equations of state for a hydrogen and helium mix in a radiation hydrodynamics code to simulate the collapse of a dense cloud and the formation of the first and second Larson cores. The first equation of state uses a fixed OPR of 3:1, and the second assumes thermal equilibrium. Results: The OPR was found to markedly affect the evolution of the first core. Systems in simulations using an equilibrium ratio collapse faster at early times and show noticeable oscillations around hydrostatic equilibrium, to the point where the core expands for a short time right after its formation, before resuming its contraction. In the case of a fixed 3:1 OPR, the core's evolution is a lot smoother. The OPR was, however, found to have little impact on the size, mass, and radius of the two Larson cores. Conclusions: It is not clear from observational or theoretical studies of OPR in molecular clouds which OPR should be used in the context of star formation. Our simulations show that if one is solely interested in the final properties of the cores when
Post-Triassic para-autochthoneity of the Yukon-Tanana Terrane: paleomagnetism of the Early Cretaceous Quiet Lake batholith
NASA Astrophysics Data System (ADS)
Symons, D. T. A.; McCausland, P. J. A.; Kawasaki, K.; Hart, C. J. R.
Was the Yukon-Tanana Terrane (YTT), a California-sized part of south-central Yukon, an autochthonous or para-autochthonous part of northern British Columbia in the Early Cretaceous or was it part of a proposed allochthonous `Baja B.C.' continent offshore of southern California? To answer this fundamental question, a paleomagnetic study has been completed on 347 specimens from 24 sites in the 114.7 ± 1.1 Ma Quiet Lake batholith. This 1300 km2 pluton is composed mostly of massive medium-to-coarse grained biotite quartz monzonite that exhibits no evidence of either deformation or metamorphism, and that intrudes metamorphosed pre-Cretaceous basement rocks of the YTT in southern Yukon. The paleomagnetic analysis utilized thermal and alternating field step demagnetization, and saturation isothermal remanence methods. A well-defined characteristic remanent magnetization (ChRM) direction was isolated throughout the 500-585 °C temperature range at Decl. = 340.6°, Incl. = 77.4° (N = 14 sites, k = 51.2, A95 = 5.6°). The ChRM resides in magnetite with a low titanium content and is interpreted to be a primary thermoremanent magnetization. After correction for 490 km of geologically demonstrable dextral displacement on the inboard Tintina fault zone, the Quiet Lake batholith's paleopole is not significantly different at 95 per cent confidence from the co-eval 115 Ma reference paleopole for North America, giving non-significant translation and rotation estimates of 1.4° ± 5.1° (1σ) northwestwards and 10° ± 13° (1σ) clockwise, respectively. Thus, this is the first Early Cretaceous paleopole to show clearly that the YTT in Yukon is a para-autochthon that was part of North America's continental margin at that time. Further, after correction for Tintina fault displacement, the eight available Mesozoic YTT paleopoles agree closely with the North American apparent polar wander path (APWP). In contrast, the 22 paleopoles from the Intermontane Belt show the expected
Astatine-211 labeling of an anti-melanoma antibody and its Fab fragment using N-succinimidyl para[{sup 211} At]astatobenzoate : comparisons In Vivo with the para-[{sup 125}1]iodobenzoyl conjugate.
Hadley, S. W.; Wilbur, D. S.; Gray, M. A.; Atcher, R. W.; Chemistry; NeoRx Corp.; Univ. of Washington Medical Center
Astatine-211 labeling of an anti-melanoma antibody, NR-ML-05, and its Fab fragment using N-succinimidyl para[{sup 211} At]astatobenzoate has been described. Preparation of the astatinated intermediate 2a was accomplished by distilling astatine-211 from an irradiated bismuth target directly into a reaction mixture containing an organometallic compound, N-succinimidyl p-(tri-n-butylstannyl)benzoate (1), and an oxidant, N-chlorosuccinimide, in 5% HOAc/MeOH. Trapping of distilled astatine as 2a was found to be efficient, resulting in 70-90% yields based on the amount of astatine-211 which ranged from 20% to 75%. Conjugation of 2a to NR-ML-05 and its Fab fragment was accomplished in 40-60% yields. The [{sup 211}At]astatobenzoyl-conjugated antibodies were found to be stable in vitro when challenged by strong denaturants and nucleophilic reagents. Coinjected dual-labeled studies of the 2a astatinated antibodies and the same antibodies labeled with N-succinimidyl p-[{sup 125}I]iodobenzoate (2b) in athymic mice bearing the human tumor xenograft A375 Met/Mix demonstrated that both radiolabeled antibodies had equivalent tumor localization. Data from the dual-labeled biodistribution of the intact antibody suggests that the astatine is stably attached. Data from the dual-labeled Fab fragment suggests that a portion of the astatine label is released as astatide, either from the astatinated Fab or from a catabolite.
Self-assembled multilayers and photoluminescence properties of a new water-soluble poly(para-phenylene)
Shi, X.; Li, D.Q.; Luett, M.; Fitzsimmons, M.R.; Van Patten, G.P.
This paper reports the synthesis and characterizations of a new water-soluble poly(para-phenylene) (PPP) and its applications in preparing self-assembled multilayer films. This new water-soluble conducting polymer was prepared through the sulfonation reaction of poly(p-quarterphenylene-2,2{prime}-dicarboxylic acid). The incorporation of sulfonate groups has dramatically improved PPP`s solubility in water at a wide pH range, whereas previous PPP is only slightly soluble in basic solutions. Dilute aqueous solutions of this polymer with acidic, neutral or basic pH emit brilliant blue light while irradiated with UV light. The sulfonated PPP emits from 350 nm to 455 nm with a maximum intensity at 380 nm. Self-assembled multilayers of this sulfonated PPP were constructed with a positively charged polymer poly(diallyl dimethyl ammonium chloride) and characterized with various surface analyses. Conductive (RuO{sub 2} and ITO), semiconductive (Si wafer), and non-conductive (SiO{sub 2}) substrates were used in the preparation of self-assembled multilayers. Electrical, optical and structural properties of these novel self-assembled thin films will be discussed.
Importance of a Fluorine Substituent for the Preparation of meta- and para-Pentafluoro-λ(6) -sulfanyl-Substituted Pyridines.
Kosobokov, Mikhail; Cui, Benqiang; Balia, Andrii; Matsuzaki, Kohei; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio
Although there are ways to synthesize ortho-pentafluoro-λ(6) -sulfanyl (SF5 ) pyridines, meta- and para-SF5 -substituted pyridines are rare. We disclose herein a general route for their synthesis. The fundamental synthetic approach is the same as reported methods for ortho-SF5 -substituted pyridines and SF5 -substituted arenes, that is, oxidative chlorotetrafluorination of the corresponding disulfides to give pyridylsulfur chlorotetrafluorides (SF4 Cl-pyridines), followed by chloride/fluoride exchange with fluorides. However, the trick in this case is the presence on the pyridine ring of at least one fluorine atom, which is essential for the successful transformation of the disulfides into m-and p-SF5 -pyridines. After enabling the synthesis of an SF5 -substituted pyridine, ortho-F groups can be efficiently substituted by C, N, S, and O nucleophiles through an SN Ar pathway. This methodology provides access to a variety of previously unavailable SF5 -substituted pyridine building blocks. PMID:27485809
Solvation of carbonaceous molecules by para-H2 and ortho-D2 clusters. I. Polycyclic aromatic hydrocarbons.
Calvo, F; Yurtsever, E
This work theoretically examines the progressive coating of planar polycyclic aromatic hydrocarbon (PAH) molecules ranging from benzene to circumcoronene (C54H18) by para-hydrogen and ortho-deuterium. The coarse-grained Silvera-Goldman potential has been extended to model the interactions between hydrogen molecules and individual atoms of the PAH and parametrized against quantum chemical calculations for benzene-H2. Path-integral molecular dynamics simulations at 2 K were performed for increasingly large amounts of hydrogen coating the PAH up to the first solvation shell and beyond. From the simulations, various properties were determined such as the size of the first shell and its thickness as well as the solvation energy. The degree of delocalization was notably quantified from an energy landscape perspective, by monitoring the fluctuations among inherent structures sampled by the trajectories. Our results generally demonstrate a high degree of localization owing to relatively strong interactions between hydrogen and the PAH, and qualitatively minor isotopic effects. In the limit of large hydrogen amounts, the shell size and solvation energy both follow approximate linear relations with the numbers of carbon and hydrogen in the PAH. PMID:27306002
Long-term trends in hydrochemistry in the Paraíba do Sul River, southeastern Brazil
NASA Astrophysics Data System (ADS)
Ovalle, A. R. C.; Silva, C. F.; Rezende, C. E.; Gatts, C. E. N.; Suzuki, M. S.; Figueiredo, R. O.
SummaryThe Paraíba do Sul watershed is an important hydrological resource for southeastern Brazil, that has undergone extensive land use changes related to industrial, agricultural and urban activities. Over 11 years, between 1997 and 2007, a long-term study was conducted to evaluate hydrochemical variation in the basin outlet through estimations of annual fluxes and identification of their controlling factors. River water was classified as Na-HCO3, with TDS ranging from 32 to 132 mg L-1. Variation between seasons was found: cations, total alkalinity, electrical conductivity, dissolved oxygen, nitrate and chlorophyll "a" had increased values the during low discharge period, while concentrations of DOC, ammonium, nitrite, phosphate and SPM had increased values during the high discharge period. Chloride, sulfate, silica and pH showed no clear relationship with discharge. These patterns also were correlated with hydrological flow paths originating from different sources. Wavelet decomposition was used to characterize precipitation anomalies largely associated both with long-term climate factors (i.e. ENSO) and short-term climate responses from the two discharge periods that were studied. Distinct responses of fluvial hydrochemistry were observed including ENSO-induced fluctuation to be particularly strong for DOC, with annual flux varying approximately 60% around measured median value.
Solvation of carbonaceous molecules by para-H2 and ortho-D2 clusters. I. Polycyclic aromatic hydrocarbons
NASA Astrophysics Data System (ADS)
Calvo, F.; Yurtsever, E.
This work theoretically examines the progressive coating of planar polycyclic aromatic hydrocarbon (PAH) molecules ranging from benzene to circumcoronene (C54H18) by para-hydrogen and ortho-deuterium. The coarse-grained Silvera-Goldman potential has been extended to model the interactions between hydrogen molecules and individual atoms of the PAH and parametrized against quantum chemical calculations for benzene-H2. Path-integral molecular dynamics simulations at 2 K were performed for increasingly large amounts of hydrogen coating the PAH up to the first solvation shell and beyond. From the simulations, various properties were determined such as the size of the first shell and its thickness as well as the solvation energy. The degree of delocalization was notably quantified from an energy landscape perspective, by monitoring the fluctuations among inherent structures sampled by the trajectories. Our results generally demonstrate a high degree of localization owing to relatively strong interactions between hydrogen and the PAH, and qualitatively minor isotopic effects. In the limit of large hydrogen amounts, the shell size and solvation energy both follow approximate linear relations with the numbers of carbon and hydrogen in the PAH.
Electronic transport in oligo-para-phenylene junctions attached to carbon nanotube electrodes: Transition-voltage spectroscopy and chirality
Brito Silva, C. A. Jr.; Silva, S. J. S. da; Leal, J. F. P.; Pinheiro, F. A.; Del Nero, J.
We have investigated, by means of a nonequilibrium Green's function method coupled to density functional theory, the electronic transport properties of molecular junctions composed of oligo-para-phenylene (with two, three, four, and five phenyl rings) covalently bridging the gap between metallic carbon nanotubes electrodes. We have found that the current is strongly correlated to a purely geometrical chiral parameter, both on-resonance and off-resonance. The Fowler-Nordheim plot exhibits minima, V{sub min}, that occur whenever the tail of a resonant transmission peak enters in the bias window. This result corroborates the scenario in which the coherent transport model gives the correct interpretation to transition voltage spectroscopy (TVS). We have shown that V{sub min} corresponds to voltages where a negative differential resistance (NDR) occurs. The finding that V{sub min} corresponds to voltages that exhibit NDR, which can be explained only in single-molecule junctions within the coherent transport model, further confirms the applicability of such models to adequately interpret TVS. The fact that the electrodes are organic is at the origin of differences in the behavior of V{sub min} if compared to the case of molecular junctions with nonorganic contacts treated so far.
The Infrared Spectrum of Protonated Ovalene in Solid Para-Hydrogen and its Possible Contribution to Interstellar Unidentified Infrared Emission
NASA Astrophysics Data System (ADS)
Tsuge, Masashi; Bahou, Mohammed; Wu, Yu-Jong; Allamandola, Louis; Lee, Yuan-Pern
The mid-infrared emission from galactic objects, including reflection nebulae, planetary nebulae, proto-planetary nebulae, molecular clouds, etc, as well as external galaxies, is dominated by the unidentified infrared (UIR) emission bands. Large protonated polycyclic aromatic hydrocarbons (H+PAHs) were proposed as possible carriers, but no spectrum of an H+PAH has been shown to exactly match the UIR bands. Here, we report the IR spectrum of protonated ovalene (7-C32H15 +) measured in a para-hydrogen (p-H2) matrix at 3.2 K, generated by bombarding a mixture of ovalene and p-H2 with electrons during matrix deposition. Spectral assignments were made based on the expected chemistry and on the spectra simulated with the wavenumbers and infrared intensities predicted with the B3PW91/6-311++G(2d,2p) method. The close resemblance of the observed spectral pattern to that of the UIR bands suggests that protonated ovalene may contribute to the UIR emission, particularly from objects that emit Class A spectra, such as the IRIS reflection nebula, NGC 7023.
Synthesis, characterization and computational studies of three α-amino-phosphonic acids derivatives from Meta, Ortho and Para aminophenol
NASA Astrophysics Data System (ADS)
Hellal, A.; Chafaa, S.; Chafai, N.
In this paper, we report first, the synthesis of three α-aminophosphonic acids from Meta-aminophenol, Ortho-aminophenol and Para-aminophenol. Then, we present a detailed DFT study based on B3LYP/6-31G (d, p) of geometrical structures and electronic properties of these compounds. The vibrational frequencies determined experimentally were compared with DFT gradient calculations which were obtained theoretically employing the B3LYP/6-31G (d, p) basis set method for the optimized geometry of the compound. The vibrations obtained from DFT method were found in good agreement with the experimental data. The study was extended to the HOMO-LUMO analysis to calculate the energy gap (Δ), Ionization potential (I), Electron Affinity (A), Global Hardness (η), Chemical Potential (μ) and Global Electrophilicity (ω). The calculated HOMO and LUMO energy reveals shows that the charge transfers occurring within the molecule. On the basis of vibrational analyses, the thermodynamic properties of the titles compound were also calculated.
Thermal Gaussian molecular dynamics for quantum dynamics simulations of many-body systems: application to liquid para-hydrogen.
Georgescu, Ionut; Deckman, Jason; Fredrickson, Laura J; Mandelshtam, Vladimir A
A new method, here called thermal Gaussian molecular dynamics (TGMD), for simulating the dynamics of quantum many-body systems has recently been introduced [I. Georgescu and V. A. Mandelshtam, Phys. Rev. B 82, 094305 (2010)]. As in the centroid molecular dynamics (CMD), in TGMD the N-body quantum system is mapped to an N-body classical system. The associated both effective Hamiltonian and effective force are computed within the variational Gaussian wave-packet approximation. The TGMD is exact for the high-temperature limit, accurate for short times, and preserves the quantum canonical distribution. For a harmonic potential and any form of operator Â, it provides exact time correlation functions C(AB)(t) at least for the case of B, a linear combination of the position, x, and momentum, p, operators. While conceptually similar to CMD and other quantum molecular dynamics approaches, the great advantage of TGMD is its computational efficiency. We introduce the many-body implementation and demonstrate it on the benchmark problem of calculating the velocity time auto-correlation function for liquid para-hydrogen, using a system of up to N = 2592 particles. PMID:21548675
Intermolecular reactivity study to scale adsorption property of para- and meta-substituted nitrobenzene over 2:1 dioctahedral smectite
NASA Astrophysics Data System (ADS)
Chatterjee, Abhijit; Ebina, Takeo; Iwasaki, Takashi; Mizukami, Fujio
Substituted nitrobenzene, a toxic series of molecules with its wide application in pesticides needs to be removed by a suitable sorbent, whose characteristic is to be determined using the reactivity index theory within the helm of the density-functional theory and as well inside the broad subject range of the hard-soft acid-base (HSAB) principle. We studied a series of meta- and para-substituted nitrobenzene molecules (NBMs) starting from -NH2, -OH, -OCH3, -CHO, -OCOCH3, -COCH3, -CF3, -CN, and -COOCH3 to monitor the effect of electrophilicity and nucleophilicity in their adsorption properties. From the values of the local softness and the charge on the hydrogen atom of the bridging/structural (occurring on the surface) hydroxyl attached to the octahedral/tetrahedral metal site present in smectite, it is concluded that the local acidities of the inorganic material systems are dependent on several characteristics which are of importance within the framework of HSAB principle. We used "group softness" for the interacting molecules, whose values were generated by adding the local softness values of constituent atoms of the respective group and found it can be a better descriptor for intermolecular interactions occurring in these NBMs. A semiquantitave scale is proposed from the group reactivity index present in NBM and the clay cluster.