title: Chemometric characterization of fruit juices from Spanish cultivars according to their phenolic compound contents: I. Citrus fruits.
abstract: The data set composed by phenolic compound profiles of 83 Citrus juices (determined by HPLC-DAD-MS/MS) was evaluated by chemometrics to differentiate them according to Citrus species (sweet orange, tangerine, lemon, and grapefruit). Cluster analysis (CA) and principal component analysis (PCA) showed natural sample grouping among Citrus species and even the Citrus subclass. Most of the information contained in the full data set can be captured if only 15 phenolic compounds (concentration ≥10 mg/L), which can be quantified with fast and accurate methods in real samples, are introduced in the models; a good classification which allows the confirmation of the authenticity of juices is achieved by linear discriminant analysis. Using this reduced data set, fast and routine methods have been developed for predicting the percentage of grapefruit in adulterated sweet orange juices using principal component regression (PCR) and partial least-squares regression (PLS). The PLS model has provided suitable estimation errors.
authors.affiliation: Departamento de Química Analítica, Facultad de Ciencia y Tecnología, Universidad del País Vasco/Euskal Herriko Unibertsitatea, Bilbao, Spain.
authors.forename: Beatriz
authors.initials: B
authors.lastname: Abad-García
authors.forename: Luis A
authors.initials: LA
authors.lastname: Berrueta
authors.forename: Sergio
authors.initials: S
authors.lastname: Garmón-Lobato
authors.forename: Arantza
authors.initials: A
authors.lastname: Urkaregi
authors.forename: Blanca
authors.initials: B
authors.lastname: Gallo
authors.forename: Francisca
authors.initials: F
authors.lastname: Vicente
mesh_terms: D001628:Beverages / Q000032:analysis*; D002957:Citrus / Q000737:chemistry*; D032083:Citrus paradisi; D032084:Citrus sinensis; D005419:Flavonoids / Q000032:analysis; D005506:Food Contamination / Q000032:analysis; D005638:Fruit / Q000737:chemistry*; D016018:Least-Squares Analysis; D010636:Phenols / Q000032:analysis*; D059808:Polyphenols / Q000032:analysis; D013030:Spain; D013045:Species Specificity
chemical_list: D005419:Flavonoids; D010636:Phenols; D059808:Polyphenols