title: Virgin olive oil authentication by multivariate analyses of 1H NMR fingerprints and delta13C and delta2H data.
abstract: (1)H NMR fingerprints of virgin olive oils (VOOs) from the Mediterranean basin (three harvests) were analyzed by principal component analysis, linear discriminant analysis (LDA), and partial least-squares discriminant analysis (PLS-DA) to determine their geographical origin at the national, regional, or PDO level. Further delta(13)C and delta(2)H measurements were performed by isotope ratio mass spectrometry (IRMS). LDA and PLS-DA achieved consistent results for the characterization of PDO Riviera Ligure VOOs. PLS-DA afforded the best model: for the Liguria class, 92% of the oils were correctly classified in the modeling step, and 88% of the oils were properly predicted in the external validation; for the non-Liguria class, 90 and 86% of hits were obtained, respectively. A stable and robust PLS-DA model was obtained to authenticate VOOs from Sicily: the recognition abilities were 98% for Sicilian oils and 89% for non-Sicilian ones, and the prediction abilities were 93 and 86%, respectively. More than 85% of the oils of both categories were properly predicted in the external validation. Greek and non-Greek VOOs were properly classified by PLS-DA: >90% of the samples were correctly predicted in the cross-validation and external validation. Stable isotopes provided complementary geographical information to the (1)H NMR fingerprints of the VOOs.
authors.affiliation: European Commission-Joint Research Centre, Institute for Health and Consumer Protection, Ispra, Italy. rosamaria.alonsosalces@gmail.com
authors.forename: Rosa M
authors.initials: RM
authors.lastname: Alonso-Salces
authors.forename: José M
authors.initials: JM
authors.lastname: Moreno-Rojas
authors.forename: Margaret V
authors.initials: MV
authors.lastname: Holland
authors.forename: Fabiano
authors.initials: F
authors.lastname: Reniero
authors.forename: Claude
authors.initials: C
authors.lastname: Guillou
authors.forename: Károly
authors.initials: K
authors.lastname: Héberger
mesh_terms: D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D015999:Multivariate Analysis; D000069463:Olive Oil; D010938:Plant Oils / Q000737:chemistry* / Q000592:standards
chemical_list: D000069463:Olive Oil; D010938:Plant Oils