Genetic-algorithm-based wavelength selection in multicomponent spectrophotometric determination by PLS: application on copper and zinc mixture

摘要

Genetic algorithm (GA) is a suitable method for selecting wavelengths for PLS (partial least squares) calibration of mixtures with almost identical spectra without loss of prediction capacity using spectrophotometric method. The method is based on the development of the reaction between the analytes and Zincon at pH 9. A series of synthetic solution containing different concentrations of copper and zinc were used to check the prediction ability of the GA-PLS models. The RMSD for copper and zinc with GA and without GA were 0.0407 and 0.0865, 0.2147 and 0.3005, respectively. Calibration matrices were 0.02-1.8 and 0.05-1.5 μg ml~(-1) for copper and zinc, respectively. This procedure allows the simultaneous determination cited ions in natural, tap and waste waters good reliability of the determination was proved.