Cool-Climate Red Wines—Chemical Composition and Comparison of Two Protocols for 1H–NMR Analysis
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...
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| Format: | Article |
| Language: | English |
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MDPI AG
2018-01-01
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| Series: | Molecules |
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| Online Access: | http://www.mdpi.com/1420-3049/23/1/160 |
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| author | Violetta Aru Klavs Martin Sørensen Bekzod Khakimov Torben Bo Toldam-Andersen Søren Balling Engelsen |
| author_facet | Violetta Aru Klavs Martin Sørensen Bekzod Khakimov Torben Bo Toldam-Andersen Søren Balling Engelsen |
| author_sort | Violetta Aru |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-13T21:31:34Z |
| format | Article |
| id | doaj.art-6901f2f61ff74c66ad9cf8ffff00a382 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-04-13T21:31:34Z |
| publishDate | 2018-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-6901f2f61ff74c66ad9cf8ffff00a3822022-12-22T02:29:08ZengMDPI AGMolecules1420-30492018-01-0123116010.3390/molecules23010160molecules23010160Cool-Climate Red Wines—Chemical Composition and Comparison of Two Protocols for 1H–NMR AnalysisVioletta Aru0Klavs Martin Sørensen1Bekzod Khakimov2Torben Bo Toldam-Andersen3Søren Balling Engelsen4Department of Food Science, University of Copenhagen, Rolighedsvej 26, DK-1958 Frederiksberg, DenmarkDepartment of Food Science, University of Copenhagen, Rolighedsvej 26, DK-1958 Frederiksberg, DenmarkDepartment of Food Science, University of Copenhagen, Rolighedsvej 26, DK-1958 Frederiksberg, DenmarkDepartment of Plant and Environmental Sciences, University of Copenhagen, Højbakkegård Alle 13, DK-2630 Taastrup, DenmarkDepartment of Food Science, University of Copenhagen, Rolighedsvej 26, DK-1958 Frederiksberg, DenmarkThis 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.http://www.mdpi.com/1420-3049/23/1/1601H–NMRFT-IRcool-climate winesDanish winesLalVigne MaturePometumwine as-isdried winesPCA |
| spellingShingle | Violetta Aru Klavs Martin Sørensen Bekzod Khakimov Torben Bo Toldam-Andersen Søren Balling Engelsen Cool-Climate Red Wines—Chemical Composition and Comparison of Two Protocols for 1H–NMR Analysis Molecules 1H–NMR FT-IR cool-climate wines Danish wines LalVigne Mature Pometum wine as-is dried wines PCA |
| title | Cool-Climate Red Wines—Chemical Composition and Comparison of Two Protocols for 1H–NMR Analysis |
| title_full | Cool-Climate Red Wines—Chemical Composition and Comparison of Two Protocols for 1H–NMR Analysis |
| title_fullStr | Cool-Climate Red Wines—Chemical Composition and Comparison of Two Protocols for 1H–NMR Analysis |
| title_full_unstemmed | Cool-Climate Red Wines—Chemical Composition and Comparison of Two Protocols for 1H–NMR Analysis |
| title_short | Cool-Climate Red Wines—Chemical Composition and Comparison of Two Protocols for 1H–NMR Analysis |
| title_sort | cool climate red wines chemical composition and comparison of two protocols for 1h nmr analysis |
| topic | 1H–NMR FT-IR cool-climate wines Danish wines LalVigne Mature Pometum wine as-is dried wines PCA |
| url | http://www.mdpi.com/1420-3049/23/1/160 |
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