Non-volatile molecular composition and discrimination of single grape white of chardonnay, riesling, sauvignon blanc and silvaner using untargeted GC–MS analysis
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Non-volatile molecular composition and discrimination of single grape white of chardonnay, riesling, sauvignon blanc and silvaner using untargeted GC–MS analysis. / Khakimov, Bekzod; Bakhytkyzy, Inal; Fauhl-Hassek, Carsten; Engelsen, Søren Balling.
I: Food Chemistry, Bind 369, 130878, 2022.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
T1 - Non-volatile molecular composition and discrimination of single grape white of chardonnay, riesling, sauvignon blanc and silvaner using untargeted GC–MS analysis
AU - Khakimov, Bekzod
AU - Bakhytkyzy, Inal
AU - Fauhl-Hassek, Carsten
AU - Engelsen, Søren Balling
N1 - Funding Information: This research was funded by the University of Copenhagen, Data + project fund (Strategy 2013 funds). German Federal Institute for Risk Assessment is acknowledged for collection of the wine samples. Publisher Copyright: © 2021 Elsevier Ltd
PY - 2022
Y1 - 2022
N2 - This study developed and applied a GC–MS method aiming at molecular fingerprinting of 120 commercial single grape white wines (Chardonnay, Riesling, Sauvignon Blanc and Silvaner) for possible authentication according to grape variety. The method allowed detection of 372 peaks and tentative identification of 146 metabolites including alcohols, organic acids, esters, amino acids and sugars. The grape variety effect explained 8.3% of the total metabolite variation. Univariate tests showed two-thirds of the metabolites being different between grape varieties. Partial least squares-discriminant analysis based classification models were developed for each grape variety and a panel of classifiers (42 metabolites) was established. All the classification models for grape variety showed a high certainty (>91%) for an independent test set. Riesling contained the highest relative concentrations of sugars and organic acids, while concentrations of hydroxytyrosol and gallic acid, common antioxidants in wine, decreased in the order of Chardonnay > Riesling > Sauvignon Blanc > Silvaner.
AB - This study developed and applied a GC–MS method aiming at molecular fingerprinting of 120 commercial single grape white wines (Chardonnay, Riesling, Sauvignon Blanc and Silvaner) for possible authentication according to grape variety. The method allowed detection of 372 peaks and tentative identification of 146 metabolites including alcohols, organic acids, esters, amino acids and sugars. The grape variety effect explained 8.3% of the total metabolite variation. Univariate tests showed two-thirds of the metabolites being different between grape varieties. Partial least squares-discriminant analysis based classification models were developed for each grape variety and a panel of classifiers (42 metabolites) was established. All the classification models for grape variety showed a high certainty (>91%) for an independent test set. Riesling contained the highest relative concentrations of sugars and organic acids, while concentrations of hydroxytyrosol and gallic acid, common antioxidants in wine, decreased in the order of Chardonnay > Riesling > Sauvignon Blanc > Silvaner.
KW - Food authenticity
KW - Foodomics
KW - GC-MS
KW - Multivariate data analysis
KW - White wine
U2 - 10.1016/j.foodchem.2021.130878
DO - 10.1016/j.foodchem.2021.130878
M3 - Journal article
C2 - 34469837
AN - SCOPUS:85113748265
VL - 369
JO - Food Chemistry
JF - Food Chemistry
SN - 0308-8146
M1 - 130878
ER -
ID: 288784342