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Front-face fluorescence excitation-emission matrices in combination with three-way chemometrics for the discrimination and prediction of phenolic response to vineyard agronomic practices.

Cabrera-Bañegil, Manuel; Valdés-Sánchez, Esperanza; Moreno, Daniel; Airado-Rodríguez, Diego; Durán-Merás, Isabel.
Food Chem; 270: 162-172, 2019 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-30174030
Phenolic extracts from cv Tempranillo grapes subjected to water stress and irrigation treatment, both of them with high and low crop load, were analyzed by front-face fluorescence. Excitation-emission matrices (EEMs) were analyzed by means of unsupervised parallel factor analysis (PARAFAC), PARAFAC supervised by linear discriminant analysis, and discriminant unfolded partial least-squares. All algorithms allowed to differentiate between water stress and irrigation grape samples when the fluorescence maxima region of catechin and epicatechin, and resveratrol was considered. A central composite design was employed for the calibration of catechin, epicatechin and resveratrol. Resveratrol was quantified by U-PLS in both, irrigated and water stressed samples, and levels between 3.46 ±â€¯0.22 and 4.67 ±â€¯0.08 µg mL and 2.43 ±â€¯0.60 and 3.03 ±â€¯0.10 µg mL , respectively, were found. PARAFAC only allowed the determination of the sum of catechin plus epicatechin (R = 0.9397). The determination of total catechin plus epicatechin by means of PARAFAC was successfully validated by liquid chromatography.