Application of a high-throughput process analytical technology metabolomics pipeline to Port wine forced ageing process

Abstract

Metabolomics aims at gathering the maximum amount of metabolic information for a total interpretation of biological systems. A process analytical technology pipeline, combining gas chromatography-mass spectrometry data preprocessing with multivariate analysis, was applied to a Port wine "forced ageing" process under different oxygen saturation regimes at 60°C. It was found that extreme "forced ageing" conditions promote the occurrence of undesirable chemical reactions by production of dioxane and dioxolane isomers, furfural and 5-hydroxymethylfurfural, which affect the quality of the final product through the degradation of the wine aromatic profile, colour and taste. Also, were found high kinetical correlations between these key metabolites with benzaldehyde, sotolon, and many other metabolites that contribute for the final aromatic profile of the Port wine. The use of the kinetical correlations in time-dependent processes as wine ageing can further contribute to biological or chemical systems monitoring, new biomarkers discovery and metabolic network investigations.

Wine science in the metabolomics era

“…Recently, a pipeline methodology based on process analytical technology (PAT) multivariate analysis (MVA) and GC-MS data processing was developed to provide an insight of the impact of the presence of oxygen and higher temperature during the "forced ageing" of a Port-wine matrix [59]. The aim of this analytical technology was to look for potential metabolites able to explain specific pathways of the metabolism with a chemical meaning to help understand the overall process (Fig.…”

Characterization of volatile organic compounds as potential aging markers in Chinese rice wine using multivariable statistics

“…To find these aging markers in wine and explore their aging mechanism, a variety of techniques for detection and analytical techniques are used, such as gas chromatography–mass spectrometry (GC‐MS), liquid chromatography‐mass spectrometry (LC‐MS), nuclear magnetic resonance spectroscopy (NMR), excitation‐emission matrix spectra (EEMs), Fourier transform infrared (FT‐IR), and direct infusion mass spectrometry (DIMS). These techniques form a connection with other disciplines and new research, such as metabolomics, chemometrics, kinetics, flavoromics, and sensomics so on . The application of multivariate analysis (MVA) in wine not only links these new fields, but accelerates the identification of key aromas or markers effectively.…”

Red Wine Oxidation: Accelerated Ageing Tests, Possible Reaction Mechanisms and Application to Syrah Red Wines

“…For both studies, it took several days or months to characterize and follow wine evolution. Accelerated ageing tests are very few and are mainly focused on heat test at 60 °C [ 22 ].…”