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Functional transformation of Fourier-transform mid-infrared spectrum for improving spectral specificity by simple algorithm based on wavelet-like functions

Herein a simple algorithm for the mathematical transformation of FTIR spectrum was developed, evaluated, and applied for description of different systems. Water, ethanol, n-butanol, n-hexanol, formic acid, acetic acid, citric acid, and water-acetic acid mixtures at different concentrations were used as model systems. We found that functional transformation of FTIR spectrum can be performed by functionallyenhanced derivative spectroscopy approach using the Function P, which is defined as P = (1 + aj)(s) 0.5 where aj and s are the absorbance and the scale factor, respectively. It is also demonstrated that Function P can be used for qualitative and quantitative analysis of pure substances and mixtures. It is concluded that Function P can be understood as a wavelet transformation, which is evaluated at small times and displacements, with scaling factor given by the change of absorbance inverse. | Functional transformation of Fourier-transform mid-infrared spectrum for improving spectral specificity by simple algorithm based on wavelet-like functions