Analysis of metabolites in chardonnay dry white wine with various inactive yeasts by 1H NMR spectroscopy combined with pattern recognition analysis.

The study aimed to investigate the effect of five inactive yeasts on the metabolites of Chardonnay dry white wines vinified in 2016 in Shacheng Manor Wine Co. Ltd., Hebei province, China. In this research, proton nuclear magnetic resonance (NMR) spectroscopy coupled multivariate analysis (1H NMR-PCA/PLS-DA) were applied to identify and discriminate the different wine products. The results of principle component analysis (PCA) showed that there was significant difference between the metabolites of sample wines with different inactive yeasts, among them, the content of polyols, organic acids, amino acids and choline was notably influenced. The results of partial least squares discrimination analysis (PLS-DA) confirmed that the metabolites contributed to the discrimination of the wines were 2,3-butanediol, ethyl acetate, malic acid, valine, succinic acid, lactic acid, tartaric acid, glycerol, gallic acid, choline, proline, and alanine.

A new phenylethanoid glycoside from Incarvillea compacta.

A new phenylethanoid glycoside, 3'''-O-methylcampneoside I (1), was isolated from the 90% ethanolic extract of the roots of Incarvillea compacta, together with three known compounds, campneoside I (2), ilicifolioside A (3), and campneoside II (4). Their structures were determined spectroscopically and compared with previously reported spectral data. Compound 1 existed as epimers and displayed better 1,1-diphenyl-2-picrylhydrazyl (DPPH)-free radical scavenging activity using di-tert-butyl-4-methylphenol (BHT) as the positive control. In addition, pretreatment of human HepG2 cells with compound 1 significantly increased the viability on CCl4-induced cell death.

Proton Nuclear Magnetic Resonance-Spectroscopic Discrimination of Wines Reflects Genetic Homology of Several Different Grape (V. vinifera L.) Cultivars.

BACKGROUND AND AIMS: Proton nuclear magnetic resonance spectroscopy coupled multivariate analysis (1H NMR-PCA/PLS-DA) is an important tool for the discrimination of wine products. Although 1H NMR has been shown to discriminate wines of different cultivars, a grape genetic component of the discrimination has been inferred only from discrimination of cultivars of undefined genetic homology and in the presence of many confounding environmental factors. We aimed to confirm the influence of grape genotypes in the absence of those factors. METHODS AND RESULTS: We applied 1H NMR-PCA/PLS-DA and hierarchical cluster analysis (HCA) to wines from five, variously genetically-related grapevine (V. vinifera) cultivars; all grown similarly on the same site and vinified similarly. We also compared the semi-quantitative profiles of the discriminant metabolites of each cultivar with previously reported chemical analyses. The cultivars were clearly distinguishable and there was a general correlation between their grouping and their genetic homology as revealed by recent genomic studies. Between cultivars, the relative amounts of several of the cultivar-related discriminant metabolites conformed closely with reported chemical analyses. CONCLUSIONS: Differences in grape-derived metabolites associated with genetic differences alone are a major source of 1H NMR-based discrimination of wines and 1H NMR has the capacity to discriminate between very closely related cultivars. SIGNIFICANCE OF THE STUDY: The study confirms that genetic variation among grape cultivars alone can account for the discrimination of wine by 1H NMR-PCA/PLS and indicates that 1H NMR spectra of wine of single grape cultivars may in future be used in tandem with hierarchical cluster analysis to elucidate genetic lineages and metabolomic relations of grapevine cultivars. In the absence of genetic information, for example, where predecessor varieties are no longer extant, this may be a particularly useful approach.