Selecting a reduced suite of diagnostic ratios calculated between petroleum biomarkers and polycyclic aromatic hydrocarbons to characterize a set of crude oils

被引：21

作者：

Fernandez-Varela, R. ^{[1
]}

Andrade, J. M. ^{[1
]}

Muniategui, S. ^{[1
]}

Prada, D. ^{[1
]}

机构：

[1] Univ A Coruna, Dept Analyt Chem, E-15071 La Coruna, Spain

来源：

JOURNAL OF CHROMATOGRAPHY A | 2010年 / 1217卷 / 52期

关键词：

Crude oil; Biomarkers; Diagnostic ratios; SOMs; Heatmap; Procrustes Rotation; SOURCE IDENTIFICATION; SPILLED OIL; MARKER; BIODEGRADATION; CLASSIFICATION; METHODOLOGY; ENVIRONMENT; QUALITY;

D O I：

10.1016/j.chroma.2010.10.043

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

A set of 34 crude oils was analysed by GC-MS (SIM mode) and a suite of 28 diagnostic ratios (DR) calculated. They involved 18 ratios between biomarker molecules (hopanes, steranes, diasteranes and triaromatic steroids) and 10 quotients between polycyclic aromatic hydrocarbons. Three unsupervised pattern recognition techniques (i.e., principal components analysis, heatmap hierarchical cluster analysis and Kohonen neural networks) were employed to evaluate the final dataset and, thus, ascertain whether the crude oils grouped as a function of their geographical origin. In addition, an objective variable selection procedure based on Procrustes Rotation was undertaken to select a reduced set of DR that comprised for most of the information in the original data without loosing relevant information. A reduced set of four DR (namely; TA21, D2/P2, D3/P3 and B(a)F/4-Mpy) demonstrated to be sufficient to characterize the crude oils and the groups they formed. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：8279 / 8289

页数：11

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