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

Acceso Abierto
ID Minciencias: ART-0000406392-179
Ranking: ART-ART_A1

Abstract:

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 functionally-enhanced 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.

Tópico:

Spectroscopy and Chemometric Analyses

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Citations: 83
83

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Información de la Fuente:

SCImago Journal & Country Rank
FuenteJournal of Advanced Research
Cuartil año de publicaciónNo disponible
Volumen14
IssueNo disponible
Páginas53 - 62
pISSN2090-1232
ISSNNo disponible

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