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Highly sensitive quantitation of pesticides in fruit juice samples by modeling four-way data gathered with high-performance liquid chromatography with fluorescence excitation-emission detection

Montemurro, Milagros, Pinto, Licarion, Véras, Germano, de Araújo Gomes, Adriano, Culzoni, María J., Ugulino de Araújo, Mário C., Goicoechea, Héctor C.
Talanta 2016 v.154 pp. 208-218
algorithms, carbaryl, carbendazim, carbofuran, data collection, fluorescence, fruit juices, high performance liquid chromatography, models, monitoring, prediction, thiabendazole
A study regarding the acquisition and analytical utilization of four-way data acquired by monitoring excitation–emission fluorescence matrices at different elution time points in a fast HPLC procedure is presented. The data were modeled with three well-known algorithms: PARAFAC, U-PLS/RTL and MCR-ALS, the latter conveniently adapted to model third-order data. The second-order advantage was exploited when analyzing samples containing uncalibrated components. The best results were furnished with the algorithm U-PLS/RTL. This fact is indicative of both no peak time shifts occurrence among samples and high colinearity among spectra. Besides, this latent-variable structured algorithm is capable of better handle the need of achieving high sensitivity for the analysis of one of the analytes. In addition, a significant enhancement in both predictions and analytical figures of merit was observed for carbendazim, thiabendazole, fuberidazole, carbofuran, carbaryl and 1-naphtol, when going from second- to third-order data. LODs obtained were ranged between 0.02 and 2.4μgL⁻¹.