1H-NMR Metabolomics as a Tool for Winemaking Monitoring
Abstract
:1. Introduction
2. Results and Discussion
2.1. 1H-NMR Analysis of Wine
2.2. Maturity Stages
2.3. Enzyme Treatments
2.4. Fining Treatments
3. Materials and Methods
3.1. Wine Samples
3.2. Winemaking
3.3. Sample Preparation
3.4. NMR Analysis
3.5. Multivariate Data Analysis
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
Sample Availability
References
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Compound | δ1H (Multiplicity, J in Hz, Assignment) | |
---|---|---|
1 | leucine | 0.96 (d, 6.2, 2CH3), 1.71 (m, CHCH2), 3.74 (m, CH) |
2 | isoleucine | 0.93 (t, 7.4, CH3), 0.99 (d, 7.0, CH3), 1.24 (m, CH2), 1.45 (m, CH2), 1.97 (m, CH), 3.66 (d, 3.9, CH) |
3 | valine | 0.99 (d, 7.3, CH3), 1.04 (d, 7.3, CH3), 2.28 (m, CH), 3.66 (d, 4.3, CH) |
4 | 2,3-butanediol | 1.13 (d, 6.2, 2CH3), 3.61 (m, 2CH) |
5 | ethanol | 1.17 (t, 7.2, CH3), 3.65 (q, CH2) |
6 | threonine | 1.32 (d, 6.7, CH3), 2.58 (d, 4.9, CH), 4.24 (m, CH) |
7 | acetoin | 1.37 (d, 7.0, CH3), 2.21 (s, CH3), 4.42 (q, CH) |
8 | lactic acid | 1.40 (d, 7.0, CH3), 4.31 (q, 7.0, CH) |
9 | alanine | 1.50 (d, 7.2, CH3), 3.76 (q, CH) |
10 | isopentanol | 0.88 (d, 6.7, 2CH3), 1.44 (q, CH2); 1.66 (m, CH), 3.61 (t, 6.7, CH2) |
11 | arginine | 1.70 (m, CH2), 1.89 (m, CH2), 3.23 (t, CH2), 3.75 (t, 6.5, CH) |
12 | proline | 1.99 (m, CH2), 2.06 (m, CH), 2.33 (m, CH), 3.32 (dt, 14.0, 7.1, CH), 3.42 (dt, 11.6 and 7.0, CH), 4.11 (dd, 8.6 and 6.4, CH) |
13 | ethyl acetate | 1.26 (t, 7.2, CH3), 4.12 (q, CH2), 2.07 (s, CH3) |
14 | acetic acid | 2.08 (s, CH3) |
15 | ethanal | 2.23 (d, 3.0, CH3), 9.67 (q, CH) |
16 | pyruvic acid | 2.35 (s, CH3) |
17 | γ-aminobutyric acid | 1.96 (m, CH2), 2.50 (t, 7.3, CH2), 3.05 (m, CH2) |
18 | succinic acid | 2.65 (s, 2CH2) |
19 | malic acid | 2.78 (dd, 16.3 and 7.0, CH), 2.89 (dd, 16.3 and 4.5, CH), 4.53 (dd, CH) |
20 | citric acid | 2.79 (d, 15.6, CH2), 2.94 (d, 15.6, CH2) |
21 | choline | 3.19 (s, 3CH3), 3.51 (dd, CH2), 4.05 (m, CH2) |
22 | myo-inositol | 3.27 (t, 9.7, CH), 3.52 (dd, 10.0 and 2.8, 2CH), 3.61 (t, 2.8, 2CH), 4.05 (t, 2.8, CH) |
23 | methanol | 3.35 (s, CH3) |
24 | isobutanol | 0.87 (d, 6.7, 2CH3), 1,73 (m, CH), 3.36 (d, 6.7, CH2) |
25 | glycerol | 3.55 (dd, 11.8 and 6.5, CH2), 3.64 (dd, CH2), 3.77 (m, CH) |
26 | mannitol | 3.65 (dd, 11.7, 6.2 CH2), 3.73 (m, CH), 3.77 (d, 9.0, CH), 3.84 (dd, 11.9, 2.8, CH2) |
27 | fructose | 3.56 (m, CH2), 3.70 (m, 2CH2), 3.77 (m, CHCHCH2), 3.87 (dd, 9.9, 3.4, CH), 3.97 (m, CH), 4.00 (dd, 12.8, 1.0 CH2), 4.09 (m, 2CH) |
28 | ethyl lactate | 1.28 (t, CH3), 1.42 (d, 7.0, CH3), 4.22 (q, 7.06, CH), 4.39 (q, 7.0, CH) |
29 | arabinose | 3.51 (dd, CH), 3.68 (m, CHCH2), 3.83 (dd, CH), 3.90 (m, CHCH2), 3.95(m, CH), 4.02 (m, CHCH2), 4.50 (d, 7.7, CH), 5.25 (d, CH) |
30 | glucose | 3.23 (dd, 9.2, 8.0, CH), 3.39 (m, CH), 3.45 (dd, 9.8, 3.7, CH), 3.72 (m, CHCH2), 3.82 (m, CHCH2), 3.88 (dd, 12.2, 2.1, CH2), 4.63 (d, 7.9, CH), 5.22 (d, 3.6, CH) |
31 | tartaric acid | 4.60 (s, 2CH) |
32 | xylose | 3.21 (dd, 9.3, 7.9, CH), 3.31 (t, 11.4, CH2), 3.42 (t, 9.25, CH), 3.51 (dd, 9.3, 3.7, CH), 3.63 (m, CHCHCH2), 3.91 (dd, 11.5, 5.5, CH2), 4.57 (d, 7.9, CH), 5.19 (d, 3.7, CH) |
33 | galacturonic acid | 3.49 (dd, 8.0, 10.0, CH), 3.69 (dd, 9, 3.5, CH), 3.80 (dd, 10.3, 3.8, CH), 3,92 (dd, 10.3, 3.4, CH), 4.24 (dd, 3.6, 1.2, CH), 4.26 (d, 1.2, CH), 4.31 (dd, 3.3, 1.4, CH), 5.32 (d, 3.8, CH) |
34 | glucuronic acid | 3.29 (t, 8.6, CH), 3.51 (m, 2CH), 3.58 (dd, 9.7, 3.7, CH), 3.73 (m, 2CH), 4.08 (d, 10.8, CH), 4.64 (d, 7.9, CH), 5.25 (d, 3.7, CH), 5.55 (d, 4, CH) |
35 | sorbic acid | 1.82 (d, 6.2, CH3), 5.78 (d, 15.3, CH), 6.25 (m, 2CH), 7.16 (dd, 15.3, 10.3, CH) |
36 | epicatechin | 2.76 (m, CH2), 2.90 (m, CH2), 4.32 (m, CH), 4.95 (m, CH), 6.09 (d, 2.0, CH), 6.12 (d, 2.0, CH), 6.93 (m, CH2), 7.03 (d, 2.0, CH) |
37 | catechin | 2.53 (dd, CH2), 2.85 (m, CH2), 4.15 (m, CH), 4.41 (d, 7.0, CH), 5.99 (d, 2.0, CH), 6.08 (d, 2.3, CH), 6.84 (d, 8.6, CH), 6.92 (m, 2CH) |
38 | caffeic acid | 6.33 (d, 16.0, CH), 6.92 (d, 8.0, CH), 7.07 (dd, 8.2, 2.0, CH), 7.14 (d, 2.0, CH), 7.29 (d, CH) |
39 | fumaric acid | 6.78 (s, 2CH) |
40 | shikimic acid | 2.21 (dd, 18.2,7.0, CH2), 2.75 (dd, 18.0, 5.3, CH2), 3.74 (dd, 8.6, 4.3, CH), 4.01 (m, CH), 4.42 (t, 4.1, CH), 6.82 (dt, CH) |
41 | tyrosol | 2.77 (t, CH2), 3.77 (t, CH2), 6.84 (m, 8.4, 2CH), 7.17 (m, 8.4, 2CH) |
42 | tyrosine | 3.02 (dd, CH2), 3.17 (dd, CH2), 3.92 (dd, CH), 6.86 (m, 8.4, 2CH), 7.17 (m, 8.6, 2CH) |
43 | gallic acid | 7.16 (s, 2CH) |
44 | phenethyl alcohol | 2.85 (t, 6.62, CH2), 3.74 (t, CH2), 7.33 (m, 5CH) |
45 | syringic acid | 3.84 (s, 2CH3), 7.36 (s, 2CH) |
46 | histidine | 3.16 (dd, 15.6, 7.7, CH), 3.23 (dd, 16.0, 5.0, CH), 3.98 (dd, 7.7, 5.0, CH), 7.09 (d, 5.0, CH), 7.90 (d, 1.1, CH) |
47 | trigonelline | 4.42 (s, CH3), 8.07 (m, CH), 8.82 (m, 2CH), 9.11 (s, CH) |
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Le Mao, I.; Martin-Pernier, J.; Bautista, C.; Lacampagne, S.; Richard, T.; Da Costa, G. 1H-NMR Metabolomics as a Tool for Winemaking Monitoring. Molecules 2021, 26, 6771. https://doi.org/10.3390/molecules26226771
Le Mao I, Martin-Pernier J, Bautista C, Lacampagne S, Richard T, Da Costa G. 1H-NMR Metabolomics as a Tool for Winemaking Monitoring. Molecules. 2021; 26(22):6771. https://doi.org/10.3390/molecules26226771
Chicago/Turabian StyleLe Mao, Inès, Jean Martin-Pernier, Charlyne Bautista, Soizic Lacampagne, Tristan Richard, and Gregory Da Costa. 2021. "1H-NMR Metabolomics as a Tool for Winemaking Monitoring" Molecules 26, no. 22: 6771. https://doi.org/10.3390/molecules26226771