Application of GRAM and TLD to the resolution and quantitation of real complex multicomponent mixtures by fluorescence spectroscopy.

Abstract

The application of the generalised rank annihilation method (GRAM) and the trilinear decomposition (TLD) method to the resolution and quantitation of fluorescence excitation-emission matrices of a ternary mixture of pesticides, carbendazim, fuberidazole, and thiabendazole, with overlapped spectra is described. The results obtained with both methods are compared and evaluated using measures of similarity (correlation coefficients) between the real and estimated spectra. Both approaches have been tested using augmented data matrices containing only two samples, but none of these methods succeeded completely in resolution of the system. When TLD was applied to augmented data matrices containing more than two samples better performance was achieved. To illustrate the application of both algorithms to real samples, they were used in the analysis of water samples containing the target pesticides. Again, TLD had an advantage over GRAM because the ability to analyse data from multiple (more than two) samples simultaneously allowed the resolution of the mixtures.