Quantification of blending of olive oils and edible vegetable oils by triacylglycerol fingerprint gas chromatography and chemometric tools.

A reliable procedure for the identification and quantification of the adulteration of olive oils in terms of blending with other vegetable oils (sunflower, corn, seeds, sesame and soya) has been developed. From the analytical viewpoint, the whole procedure relies only on the results of the determination of the triacylglycerol profile of the oils by high temperature gas chromatography-mass spectrometry. The chromatographic profiles were pre-treated (baseline correction, peak alignment using iCoshift algorithm and mean centering) before building the models. At first, a class-modeling approach, Soft Independent Modeling of Class Analogy (SIMCA) was used to identify the vegetable oil used blending. Successively, a separate calibration model for each kind of blending was built using Partial Least Square (PLS). The correlation coefficients of actual versus predicted concentrations resulting from multivariate calibration models were between 0.95 and 0.99. In addition, Genetic algorithms (GA-PLS), were used, as variable selection method, to improve the models which yielded R(2) values higher than 0.90 for calibration set. This model had a better predictive ability than the PLS without feature selection. The results obtained showed the potential of this method and allowed quantification of blends of olive oil in the vegetable oils tested containing at least 10% of olive oil.

[1]  Michael Komaitis,et al.  Effectiveness of determinations of fatty acids and triglycerides for the detection of adulteration of olive oils with vegetable oils , 2004 .

[2]  F Savorani,et al.  icoshift: A versatile tool for the rapid alignment of 1D NMR spectra. , 2010, Journal of magnetic resonance.

[3]  Dong-Sun Lee,et al.  Detection of Adulteration in Olive Oils Using Triacylglycerols Compositions by High Temperature Gas Chromatography , 2003 .

[4]  Lorenzo Cerretani,et al.  A novel chemometric strategy for the estimation of extra virgin olive oil adulteration with edible oils , 2010 .

[5]  I. Arvanitoyannis,et al.  Implementation of Physicochemical and Sensory Analysis in Conjunction with Multivariate analysis towards Assessing Olive Oil Authentication/Adulteration , 2007, Critical reviews in food science and nutrition.

[6]  Konstantinos Kiritsakis,et al.  Chemical analysis, quality control and packaging issues of olive oil , 2002 .

[7]  E. Frankel,et al.  Chemistry of extra virgin olive oil: adulteration, oxidative stability, and antioxidants. , 2010, Journal of agricultural and food chemistry.

[8]  R Bro,et al.  Olive oil quantification of edible vegetable oil blends using triacylglycerols chromatographic fingerprints and chemometric tools. , 2011, Talanta.

[9]  A. González-Casado,et al.  Application of selected ion monitoring to the analysis of triacylglycerols in olive oil by high temperature-gas chromatography/mass spectrometry. , 2010, Talanta.

[10]  Federico Marini,et al.  Class-modeling techniques in the authentication of Italian oils from Sicily with a Protected Denomination of Origin (PDO) , 2006 .

[11]  Luis Cuadros-Rodríguez,et al.  Multivariate analysis of HT/GC-(IT)MS chromatographic profiles of triacylglycerol for classification of olive oil varieties , 2011, Analytical and bioanalytical chemistry.

[12]  Johanna Smeyers-Verbeke,et al.  Handbook of Chemometrics and Qualimetrics: Part A , 1997 .

[13]  G. G. Stokes "J." , 1890, The New Yale Book of Quotations.

[14]  M. Valcárcel,et al.  Direct olive oil authentication: detection of adulteration of olive oil with hazelnut oil by direct coupling of headspace and mass spectrometry, and multivariate regression techniques. , 2005, Journal of Chromatography A.

[15]  Darinka Brodnjak-Vončina,et al.  Multivariate data analysis in classification of vegetable oils characterized by the content of fatty acids , 2005 .

[16]  Durmuş Özdemir,et al.  Determination of Olive Oil Adulteration with Vegetable Oils by near Infrared Spectroscopy Coupled with Multivariate Calibration , 2010 .

[17]  N. Darmon,et al.  Identification of nutritionally adequate mixtures of vegetable oils by linear programming. , 2006, Journal of human nutrition and dietetics : the official journal of the British Dietetic Association.

[18]  Zou Xiaobo,et al.  Variables selection methods in near-infrared spectroscopy. , 2010, Analytica chimica acta.

[19]  R. Aparicio,et al.  Authentication of vegetable oils by chromatographic techniques. , 2000, Journal of chromatography. A.

[20]  M. D. Luque de Castro,et al.  Sequential (step-by-step) detection, identification and quantitation of extra virgin olive oil adulteration by chemometric treatment of chromatographic profiles , 2007, Analytical and bioanalytical chemistry.

[21]  Anders S Carlsson,et al.  High-value oils from plants. , 2008, The Plant journal : for cell and molecular biology.

[22]  Riccardo Leardi,et al.  Application of genetic algorithm–PLS for feature selection in spectral data sets , 2000 .

[23]  W. Moreda,et al.  Chromatographic analysis of minor constituents in vegetable oils. , 2000, Journal of chromatography. A.

[24]  R. Leardi,et al.  Genetic algorithms applied to feature selection in PLS regression: how and when to use them , 1998 .