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Improved accuracy of quantification of analytes in human body fluids by near-IR laser Raman spectroscopy with new algorithms

Near infrared Raman spectroscopy has been successfully used to analyze ethanol and acetaminophen in human urine samples quantitatively. The new algorithms incorporating the intrinsic spectrum of the analyte of interest into the multivariate calibration were examined to improve the accuracy of the predicted concentrations. Comparing with commonly used partial least squares calibration, it was found that the methods using the intrinsic spectrum of the analyte of interest always achieved much higher accuracy, particularly when the interference from other undesired chemicals in the samples are severe.