Screening of Oil Samples on the Basis of Excitation-Emission Room-Temperature Phosphorescence Data and Multiway Chemometric Techniques. Introducing the Second-Order Advantage in a Classification Study

JUAN A. ARANCIBIA; CARLOS E. BOSCHETTI; ALEJANDRO C. OLIVIERI; GRACIELA M. ESCANDAR

ANALYTICAL CHEMISTRY

American Chemical Society

Lugar: Washington; Año: 2008 vol. 80 p. 2789 - 2798

0003-2700

Room-temperature phosphorescence excitation-emission matrices and multi-way methods have been analyzed as potential tools for screening oil samples, based on full matrix information for polyaromatic hydrocarbons. Crude oils obtained from different sources of similar geographic origin, as well as light and heavy lubricating oils were analyzed. The room-temperature phosphorescence matrix signals were processed by applying multilayer perceptron artificial neural networks (MLP-ANN), parallel factor analysis (PARAFAC) coupled to linear discriminant analysis (LDA), discriminant unfolded partial least-squares (DU-PLS), and discriminant multidimensional partial least-squares (DN-PLS). The ability of the latter algorithm to classify the investigated oils into four categories is demonstrated. In addition, the combination of DN-PLS with residual bilinearization (RBL) allows for a proper classification of oils containing unsuspected compounds not present in the training sample set. This second-order advantage concept is applied to a classification study for the first time. The employed approach is fast, avoids the use of laborious chromatographic analysis, and is relevant for oil characterization, identification and determination of accidental spill sources