Application of third order algorithms to determination of carbaryl, naphtol and propoxur by kinetic spectroscopic measures.

PABLO SANTA CRUZ; ALEJANDRO G. GARCÍA REIRIZ

Bevagna

Congreso; VIII Colloquium Chemometricum Mediterraneum; 2013

Società Italiana di Chemiometria

In the present work is presented a new application of third order algorithms to quantify carbaryl, naphtol and propoxur using kinetic spectroscopic data. It was measured time evolution of fluorescence data matrix to follow the alkaline hydrolysis of pesticides mentioned above [1]. The data was analyzed by three different methods, Parallel Factor Analysis (PARAFAC), Unfolded Partial Least Squares (U-PLS) and Non-Unfolded Partial Least Squares (N-PLS) [2-5], theses last two method was assisted with Residual Trilinearization (RTL) [6] to model the presence of inspected signals no included in the calibration step. This experimental system has the additional complexity that one of the analites is the product of reaction of other analite, this present problems of linear dependency between concentrations. The ability of different algorithms to predict concentrations was checked with validation samples. Also was prepared samples with unexpected components, tiabendazole and carbendazim, and additional water samples of a creek was extracted to addition with the three analites for check the recovery concentrations. The better results were obtained by U-PLS/RTL and N-PLS/RTL because these two method are more flexible than PARAFAC. In Figure 1 is showed a representation of data flow, there are the structures of all analites and the data of a typical sample with carbaryl.