title: Assessing the varietal origin of extra-virgin olive oil using liquid chromatography fingerprints of phenolic compound, data fusion and chemometrics.
abstract: High Performance Liquid Chromatography (HPLC) with diode array (DAD) and fluorescence (FLD) detection was used to acquire the fingerprints of the phenolic fraction of monovarietal extra-virgin olive oils (extra-VOOs) collected over three consecutive crop seasons (2011/2012-2013/2014). The chromatographic fingerprints of 140 extra-VOO samples processed from olive fruits of seven olive varieties, were recorded and statistically treated for varietal authentication purposes. First, DAD and FLD chromatographic-fingerprint datasets were separately processed and, subsequently, were joined using "Low-level" and "Mid-Level" data fusion methods. After the preliminary examination by principal component analysis (PCA), three supervised pattern recognition techniques, Partial Least Squares Discriminant Analysis (PLS-DA), Soft Independent Modeling of Class Analogies (SIMCA) and K-Nearest Neighbors (k-NN) were applied to the four chromatographic-fingerprinting matrices. The classification models built were very sensitive and selective, showing considerably good recognition and prediction abilities. The combination "chromatographic dataset+chemometric technique" allowing the most accurate classification for each monovarietal extra-VOO was highlighted.
authors.affiliation: Department of Analytical Chemistry, Faculty of Sciences, University of Granada, Ave. Fuentenueva s/n, 18071 Granada, Spain.
authors.forename: Aadil
authors.initials: A
authors.lastname: Bajoub
authors.affiliation: Department of Analytical Chemistry, Faculty of Sciences, University of Granada, Ave. Fuentenueva s/n, 18071 Granada, Spain.
authors.forename: Santiago
authors.initials: S
authors.lastname: Medina-Rodríguez
authors.affiliation: Computational and Systems Medicine, Department of Surgery and Cancer, Imperial College London, SW7 2AZ London, United Kingdom.
authors.forename: María
authors.initials: M
authors.lastname: Gómez-Romero
authors.affiliation: Provincial Department of Agriculture of Azilal, PO Box 13, 22000 Azilal, Morocco.
authors.forename: El Amine
authors.initials: el A
authors.lastname: Ajal
authors.affiliation: Department of Analytical Chemistry, Faculty of Sciences, University of Granada, Ave. Fuentenueva s/n, 18071 Granada, Spain.
authors.forename: María Gracia
authors.initials: MG
authors.lastname: Bagur-González
authors.affiliation: Department of Analytical Chemistry, Faculty of Sciences, University of Granada, Ave. Fuentenueva s/n, 18071 Granada, Spain.
authors.forename: Alberto
authors.initials: A
authors.lastname: Fernández-Gutiérrez
authors.affiliation: Department of Analytical Chemistry, Faculty of Sciences, University of Granada, Ave. Fuentenueva s/n, 18071 Granada, Spain. Electronic address: alegriac@ugr.es.
authors.forename: Alegría
authors.initials: A
authors.lastname: Carrasco-Pancorbo
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D016000:Cluster Analysis; D016002:Discriminant Analysis; D000069463:Olive Oil / Q000737:chemistry*; D010636:Phenols / Q000032:analysis*; D025341:Principal Component Analysis
chemical_list: D000069463:Olive Oil; D010636:Phenols
keywords: Chemometrics; Data fusion; High performance liquid chromatography; Monovarietal extra-virgin olive oils; Phenolic compounds fingerprints; Varietal origin