Nonlinear Four-Way Kinetic-Excitation−Emission Fluorescence Data Processed by a Variant of Parallel Factor Analysis and by a Neural Network Model Achieving the Second-Order Advantage: Malonaldehyde Determination in Olive Oil Samples
| Autor: | Arsenio Muñoz de la Peña, Alejandro C. Olivieri, Alejandro García-Reiriz, Patricia C. Damiani, Florentina Cañada-Cañada |
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| Rok vydání: | 2008 |
| Předmět: |
Analyte
Chemistry Fluorescence spectrometry Analytical chemistry Quadratic function Residual Analytical Chemistry Chemometrics Kinetics Methylamines Nonlinear system Spectrometry Fluorescence Nonlinear Dynamics Data Interpretation Statistical Malondialdehyde Principal component analysis Plant Oils Radial basis function Neural Networks Computer Olive Oil Algorithms Food Analysis |
| Zdroj: | Analytical Chemistry. 80:7248-7256 |
| ISSN: | 1520-6882 0003-2700 |
| DOI: | 10.1021/ac8007829 |
| Popis: | Four-way data were obtained by recording the kinetic evolution of excitation-emission fluorescence matrices for the product of the Hantzsch reaction between the analyte malonaldehyde and methylamine. The reaction product, 1,4-disubstituted-1,4-dihydropyridine-3,5-dicarbaldehyde, is a highly fluorescent compound. The nonlinear nature of the kinetic fluorescence data has been demonstrated, and therefore the four-way data were processed with parallel factor analysis combined with a nonlinear pseudounivariate regression, based on a quadratic polynomial fit, and also with a recently introduced neural network methodology, based on the combination of unfolded principal component analysis, residual trilinearization, and radial basis functions. The applied chemometric strategies are not only able to adequately model the nonlinear data but also to successfully determine malonaldehyde in olive oil samples. This is possible since the experimentally recorded four-way data, modeled with the above-mentioned advanced chemometric approaches, permit the achievement of the second-order advantage. This allows us to predict the analyte concentration in a complex background, in spite of the nonlinear behavior and in the presence of uncalibrated interferences. The present work is a new example of the use of higher-order data for the resolution of a complex nonlinear system, successfully employed in the context of food chemical analysis. |
| Databáze: | OpenAIRE |
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