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Open AccessArticle

Cool-Climate Red Wines—Chemical Composition and Comparison of Two Protocols for 1H–NMR Analysis

1
Department of Food Science, University of Copenhagen, Rolighedsvej 26, DK-1958 Frederiksberg, Denmark
2
Department of Plant and Environmental Sciences, University of Copenhagen, Højbakkegård Alle 13, DK-2630 Taastrup, Denmark
*
Author to whom correspondence should be addressed.
Molecules 2018, 23(1), 160; https://doi.org/10.3390/molecules23010160
Received: 6 December 2017 / Revised: 5 January 2018 / Accepted: 9 January 2018 / Published: 13 January 2018
(This article belongs to the Collection Wine Chemistry)
This study investigates the metabolome of 26 experimental cool-climate wines made from 22 grape varieties using two different protocols for wine analysis by proton nuclear magnetic resonance (1H–NMR) spectroscopy. The wine samples were analyzed as-is (wet) and as dried samples. The NMR datasets were preprocessed by alignment and mean centering. No normalization or scaling was performed. The “wet” method preserved the inherent properties of the samples and provided a fast and effective overview of the molecular composition of the wines. The “dried” method yielded a slightly better sensitivity towards a broader range of the compounds present in wines. A total of 27 metabolites including amino acids, organic acids, sugars, and alkaloids were identified in the 1H–NMR spectra of the wine samples. Principal component analysis was performed on both NMR datasets evidencing well-defined molecular fingerprints for ‘Baco Noir’, ‘Bolero’, ‘Cabernet Cantor’, ‘Cabernet Cortis’, ‘Don Muscat’, ‘Eszter’, ‘Golubok’, ‘New York Muscat’, ‘Regent’, ‘Rondo’, ‘Triomphe d’Alsace’, ‘Précose Noir’, and ‘Vinoslivy’ wines. Amongst the identified metabolites, lactic acid, succinic acid, acetic acid, gallic acid, glycerol, and methanol were found to drive sample groupings. The 1H–NMR data was compared to the absolute concentration values obtained from a reference Fourier transform infrared method, evidencing a high correlation. View Full-Text
Keywords: 1H–NMR; FT-IR; cool-climate wines; Danish wines; LalVigne Mature; Pometum; wine as-is; dried wines; PCA 1H–NMR; FT-IR; cool-climate wines; Danish wines; LalVigne Mature; Pometum; wine as-is; dried wines; PCA
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MDPI and ACS Style

Aru, V.; Sørensen, K.M.; Khakimov, B.; Toldam-Andersen, T.B.; Balling Engelsen, S. Cool-Climate Red Wines—Chemical Composition and Comparison of Two Protocols for 1H–NMR Analysis. Molecules 2018, 23, 160. https://doi.org/10.3390/molecules23010160

AMA Style

Aru V, Sørensen KM, Khakimov B, Toldam-Andersen TB, Balling Engelsen S. Cool-Climate Red Wines—Chemical Composition and Comparison of Two Protocols for 1H–NMR Analysis. Molecules. 2018; 23(1):160. https://doi.org/10.3390/molecules23010160

Chicago/Turabian Style

Aru, Violetta; Sørensen, Klavs M.; Khakimov, Bekzod; Toldam-Andersen, Torben B.; Balling Engelsen, Søren. 2018. "Cool-Climate Red Wines—Chemical Composition and Comparison of Two Protocols for 1H–NMR Analysis" Molecules 23, no. 1: 160. https://doi.org/10.3390/molecules23010160

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