title: Feasibility study on the use of near infrared spectroscopy to determine flavanols in grape seeds.
abstract: The potential of near infrared spectroscopy to determine the content of flavanols directly recording the infrared spectra of grape seeds has been evaluated. Moreover, the study shows the potential of this technique to obtain qualitative information related to the samples. In this case, the feasibility to discriminate between possible vineyards of origin has also been evaluated. Modified Partial Least Squares (MPLS) regression was used to develop the quantitative models in order to predict the content of flavanols. These models have been validated showing differences between 3.5% and 14.3% in the external validation. Moreover, Discriminant Partial Least Squares algorithm was used in the qualitative analysis to distinguish between two possible vineyards of origin and showed a high degree of accuracy. Prediction rates of samples correctly classified with a mean of 95% in internal validation and 97% in external validation were obtained. The procedure reported here seems to have an excellent potential for a fast and reasonably inexpensive analysis of these flavanols in grape seeds and could also be a tool to distinguish between possible vineyards of origin.
authors.affiliation: Grupo de Investigación en Polifenoles, Unidad de Nutrición y Bromatología, Facultad de Farmacia, Universidad de Salamanca, Campus Miguel de Unamuno, E 37007 Salamanca, Spain.
authors.forename: Raúl
authors.initials: R
authors.lastname: Ferrer-Gallego
authors.forename: José Miguel
authors.initials: JM
authors.lastname: Hernández-Hierro
authors.forename: Julián C
authors.initials: JC
authors.lastname: Rivas-Gonzalo
authors.forename: M Teresa
authors.initials: MT
authors.lastname: Escribano-Bailón
mesh_terms: D002138:Calibration; D005240:Feasibility Studies; D044948:Flavonols / Q000032:analysis*; D016018:Least-Squares Analysis; D025341:Principal Component Analysis; D015203:Reproducibility of Results; D012639:Seeds / Q000737:chemistry*; D013030:Spain; D019265:Spectroscopy, Near-Infrared / Q000379:methods* / Q000706:statistics & numerical data; D027843:Vitis / Q000737:chemistry* / Q000254:growth & development
chemical_list: D044948:Flavonols