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Step by Step Filter: an original approach for obtainment of highly informative derivative spectra

It is well known that the derivative spectroscopy provides possibilities for interpretation of absorption spectra, analysis of overlapping bands and quantitative analysis. These applications result from the fact that the derivative spectra can be easily obtained, being at the same time easy for interpretation and relatively simple as shape (both as consequence of the low noise level in the absorption UV-Vis spectra). The modern spectrophotometers as a rule have modules for calculation of the derivative curves in their operation software. However, it has been proved mathematically that the instrumentally derivatives attenuate in the long wavelength region. Therefore the approach called "Step-By-Step-Filter” (SBSF), allowing to obtain highly informative derivative derivatives with substantial noise reduction and minimal curve distortion, directly from the measured absorption spectra, is suggested. The derivatives calculated according to SBSF provide clear advantages in comparison with the instrumentally obtained: lack of attenuation in the long wavelength region and increased informativity; substantial noise reduction with minimal filter window; significant suppression of the computational noise; and they can be easily implemented in the software and hardware of the UVVIS-NIR absorption, emmision and CD spectrometers.