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The use of Simca Pattern Recognition in the Analysis of Complex Chromatographic Data

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QSAR in Environmental Toxicology

Abstract

A technique is proposed for the quantitative determination of constituents in complex mixtures characterized by gas chromatography data. The technique is the SIMCA pattern recognition method and the data to which it is applied are gas chromatograms of the Aroclors 1242, 1248, 1252, and 1260. The problem is formulated as one of classification and a sample of used tranformer oil from a waste dump is classified as to its composition.

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References

  • Dunn, W.J. III, Stalling, D.L., Schwartz, T.R., Hogan, J.W., Petty, J.D., Johansson, E. and Wold, S. 1983. Classification and quantification of PCB’s in environmental samples using SIMCA pattern recognition. Anal. Chem., submitted.

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  • Schwartz, T.R., Campbell, R.D., Stalling, D.L., Little, R.L., Petty, J.D., Hogan, J.W. and Kaines, E.M. 1983. An isomer specific method for the analysis of PCB’s in environmental samples. Anal. Chem., submitted.

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  • Stalling, D.L., Dunn, W.J. III, Schwartz, T.R., Hogan, J.W., Petty, J.D. and Johansson, E.J. 1983. Application of SIMCA, a principal components method, in isomer specific analysis of PCB’s. ACS Symposium Series, D. Kurtz (Ed.), American Chemical Society, Washington, D.C.

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  • Wold, S. 1976. Pattern recognition by disjoint principal components models. Pattern Recognition 8: 127–134.

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Author information

Authors and Affiliations

  1. Department of Medicinal Chemistry and Pharmacognosy College of Pharmacy, University of Illinois at, Chicago, 833, South Wood Street, Chicago, Illinois, 60680, USA

    William J. Dunn III

  2. U.S. Fish and Wildlife Service, Columbia National Fisheries Research Laboratory, RR#l, Columbia, Missouri, 62500, USA

    David L. Stalling

  3. Research Group for Chemometrics, Umea University, S-90187, Umea, Sweden

    Svante Wold

Authors
  1. William J. Dunn III
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  2. David L. Stalling
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  3. Svante Wold
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Editor information

Editors and Affiliations

  1. Canada Center for Inland Waters, National Water Research Institute, Burlington, Ontario, Canada

    Klaus L. E. Kaiser

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© 1984 D. Reidel Publishing Company

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Dunn, W.J., Stalling, D.L., Wold, S. (1984). The use of Simca Pattern Recognition in the Analysis of Complex Chromatographic Data. In: Kaiser, K.L.E. (eds) QSAR in Environmental Toxicology. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-6415-0_6

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  • DOI: https://doi.org/10.1007/978-94-009-6415-0_6

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-009-6417-4

  • Online ISBN: 978-94-009-6415-0

  • eBook Packages: Springer Book Archive

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