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  • Title: Classification of weathered petroleum oils by multi-way analysis of gas chromatography-mass spectrometry data using PARAFAC2 parallel factor analysis.
    Author: Ebrahimi D, Li J, Hibbert DB.
    Journal: J Chromatogr A; 2007 Sep 28; 1166(1-2):163-70. PubMed ID: 17727864.
    Abstract:
    The application of multi-way parallel factor analysis (PARAFAC2) is described for the classification of different kinds of petroleum oils using GC-MS. Oils were subjected to controlled weathering for 2, 7 and 15 days and PARAFAC2 was applied to the three-way GC-MS data set (MSxGCxsample). The classification patterns visualized in scores plots and it was shown that fitting multi-way PARAFAC2 model to the natural three-way structure of GC-MS data can lead to the successful classification of weathered oils. The shift of chromatographic peaks was tackled using the specific structure of the PARAFAC2 model. A new preprocessing of spectra followed by a novel use of analysis of variance (ANOVA)-least significant difference (LSD) variable selection method were proposed as a supervised pattern recognition tool to improve classification among the highly similar diesel oils. This lead to the identification of diagnostic compounds in the studied diesel oil samples.
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