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Multivariate analysis of HT/GC-(IT)MS chromatographic profiles of triacylglycerol for classification of olive oil varieties

Analytical and Bioanalytical Chemistry volume 399, pages 2093–2103 (2011)Cite this article

Abstract

The ability of multivariate analysis methods such as hierarchical cluster analysis, principal component analysis and partial least squares-discriminant analysis (PLS-DA) to achieve olive oil classification based on the olive fruit varieties from their triacylglycerols profile, have been investigated. The variations in the raw chromatographic data sets of 56 olive oil samples were studied by high-temperature gas chromatography with (ion trap) mass spectrometry detection. The olive oil samples were of four different categories (“extra-virgin olive oil”, “virgin olive oil”, “olive oil” and “olive-pomace” oil), and for the “extra-virgin” category, six different well-identified olive oil varieties (“hojiblanca”, “manzanilla”, “picual”, “cornicabra”, “arbequina” and “frantoio”) and some blends of unidentified varieties. Moreover, by pre-processing methods of chemometric (to linearise the response of the variables) such as peak-shifting, baseline (weighted least squares) and mean centering, it was possible to improve the model and grouping between different varieties of olive oils. By using the first three principal components, it was possible to account for 79.50% of the information on the original data. The fitted PLS-DA model succeeded in classifying the samples. Correct classification rates were assessed by cross-validation.

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Acknowledgements

The authors would like to thank the Andalusia Regional Government (Consejería de Innovación, Ciencia y Empresa, project P07-FQM-02667 and Consejería de Agricultura y Pesca) for financial assistance. This work had also been partially supported by European Regional Development Funds (ERDF). One of the authors, C.R.S., is also grateful to the Andalusia Regional Government (Consejería de Innovación, Ciencia y Empresa) for the personal postgraduate grant.

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Affiliations

  1. Food Quality Control Service, Consejería de Agricultura y Pesca, Junta de Andalucía, c/Tabladilla s.n., 41071, Sevilla, Spain

    Francisco de Paula Rodríguez García

  2. Department of Analytical Chemistry, University of Granada, Av. Fuentenueva s.n., 18071, Granada, Spain

    Cristina Ruiz-Samblás, Luis Cuadros-Rodríguez, Antonio González-Casado, Paulina de la Mata-Espinosa & Juan Manuel Bosque-Sendra

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  1. Cristina Ruiz-Samblás
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  2. Luis Cuadros-Rodríguez
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  3. Antonio González-Casado
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  4. Francisco de Paula Rodríguez García
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  5. Paulina de la Mata-Espinosa
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Correspondence to Luis Cuadros-Rodríguez.

Additional information

Published in the special issue Chemometrics (VII Colloquium Chemiometricum Mediterraneum) with Guest Editors Marcelo Blanco, Juan M. Bosque-Sendra and Luis Cuadros-Rodríguez.

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Ruiz-Samblás, C., Cuadros-Rodríguez, L., González-Casado, A. et al. Multivariate analysis of HT/GC-(IT)MS chromatographic profiles of triacylglycerol for classification of olive oil varieties. Anal Bioanal Chem 399, 2093–2103 (2011). https://doi.org/10.1007/s00216-010-4423-z

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  • DOI: https://doi.org/10.1007/s00216-010-4423-z

Keywords

  • Triacylglycerols
  • Olive oil varieties
  • High-temperature gas chromatography–mass spectrometry
  • Chemometric multivariate classification