Comparison of Chemometric Methods: Derivative Ratio Spectra and Multivariate Methods (CLS, PCR and PLS) for the Resolution of Ternary Mixtures of the Pesticides Carbofuran Carbaryl and Phenamifos After Their Extraction into Chloroform

Abstract

The resolution of a ternary mixture of the pesticides carbofuran, carbaryl and fenamiphos in heterogeneous media (after extraction into CHCl₃) by the application of different chemometric methods such as derivative ratio spectra (DD), classical least squares (CLS), principal components regression (PCR) and partial least squares (PLS) was performed. CLS, PCR and PLS were applied with the absorption spectra or with their transformations (logarithm or first or second derivative). Also, different data preprocessing algorithms were examined. Second-derivative spectra were used for DD. A comparison of the results obtained in the analysis of these compounds by the different methods was made by using analysis of variance (ANOVA). These methods were successfully applied to the analysis of spiked river water samples.

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