NMR develops a nose for wine A 3D structural and conformational study of procyanidin dimers in water and hydro-alcoholic media as viewed by NMR and molecular modeling Abstract: The three-dimensional structures of 5 procyanidin dimers have been determined in a hydro-alcoholic medium and in water using 2D NMR and molecular mechanics. They are made from monomers of catechin (CAT) and epicatechin (EPI)-B1: EPI-CAT, B2: EPI-EPI, B3: CAT-CAT, B4: CAT-EPI and B2g: EPI-EPI-3-O-gallate. These tannins exist in two conformations that are in slow exchange in the NMR timescale (s), one is compact and the other extended. The compact form is found to dominate (76-98%) when the dimer is made of at least one CAT monomer (B1, B3, B4). Both forms are found in even proportions only in the case of procyanidin B2. The latter tannin can be converted into a dominant compact form when the lower EPI unit is galloylated. The finding of a predominant compact form for procyanidin dimers is discussed in relation with tannin-saliva protein interactions that are of importance for the wine-tasting/making processes. Magnetic Resonance in Chemistry?2006, 44, 868-880
上载一些NMR研究葡萄酒的资料,有兴趣者可以看看,NMR如何研究食品和复杂混合物.实际上,只要能溶解的样品,都可以用液体NMR来研究,并不是一定要纯化合物才用NMR,本人日常相当一部分工作是分析混合物的NMR图谱,深感NMR的功能强大. Wine analysis by 1D and 2D NMR spectroscopy Analusis 26, 97-101 (1998) Abstract We have measured 1D and 2D 1H and 13C NMR spectra of selected Slovenian wines. Partial assignment of 1H and 13C resonances of alanine, valine, leucine, isoleucine, proline, threonine, ethanol, glycerol, butyleneglycol, and of acetic, tartaric, lactic, succinic, and malic acids in the wine samples was carried out by the combination of homo- and heteronuclear experiments COSY, HSQC and HMBC with known spectra of individual compounds. The spectra of wines of different variety, vintage and geographical areas differ mainly in the intensity of particular signals but also in the appearance of some signals which offers the possibility to follow the variability in their chemical composition on the ground of 1H and 13C signals. 下面可以得到全文 http://www.edpsciences.org/articles/analusis/pdf/1998/02/s090298.pdf?access=ok
Use of NMR Spectroscopy for Determination of Amino Acids in Wine Dendrogram of 10 wine samples, calculated on the base of 7 signalov. intensities in 1D. 1. H NMR spektra with Ward’s technique. http://www.jrc.cec.eu.int/more_information/download/200510_slovenia/15-kosir.pdf#search=%22wine%20%20NMR%22
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