Second-order capillary electrophoresis diode array detector data modeled with the Tucker3 algorithm. A novel strategy for Argentinean white wine discrimination respect to grape variety

Abstract

Data obtained by capillary electrophoresis with diode array detection (CE‐DAD) were modeled with the purpose to discriminate Argentinean white wines samples produced from three grape varieties (Torrontés, Chardonnay, and Sauvignon blanc). Thirty‐eight samples of commercial white wine from four wine‐producing provinces of Argentina (Mendoza, San Juan, Salta, and Rio Negro) were analyzed. CE‐DAD matrices with dimensions of 421 elution times (from 1.17 to 7.39 minutes) × 71 wavelengths (from 227 to 367 nm) were joined in a three way data array and decomposed by Tucker3 method under non‐negativity constraint, employing 18, 18 and six factors in the modes 1, 2 and 3, respectively. Using the scores of Tucker model, it was possible to discriminate samples of Argentinean white wine by linear discriminant analysis and Kernel linear discriminant analysis. Core element analysis of the Tucker3 model allows identifying the loading profiles in spectral mode related to Argentinean white wine samples.