Author:
Ianeselli Alan,Longo Edoardo,Poggesi Simone,Montali Marco,Boselli Emanuele
Abstract
AbstractElucidating the chemistry of wine would help defining its quality, chemical and sensory characteristics and optimise the wine-making processes. High-performance liquid chromatography coupled with UV–Vis spectroscopy (HPLC–UV–Vis) is a common analysis method used to obtain the molecular profile of wine samples. We propose a complete procedure for the analysis of wine chromatograms. Data are pre-processed using standard methods of down-sampling, smoothing and baseline subtraction. Multiple samples are then merged in a three-dimensional tensor, decomposed using parallel factor analysis (PARAFAC2) into three factors: (i) one reduced (rank-one) chromatogram per sample, (ii) an estimate of the samples’ spectral UV–Vis profile and (iii) an estimate of the samples’ concentrations. If the decomposition is performed on a single peak of the tensor, the second and third factors correspond to the representative wavelength spectrum and to the relative concentrations of the samples, respectively. Otherwise, when multiple peaks are analysed, further processing is required. In the latter case, the decomposed rank-one chromatograms are peak-detected and aligned, clustered and integrated. A table containing the concentration of the peaks at different retention times is obtained. The pipeline proposed in this study is a guideline for a quantitative and reproducible chemical analysis of wine, or other samples, via the HPLC–UV–Vis method.
Funder
Libera Università di Bolzano
Publisher
Springer Science and Business Media LLC
Subject
Organic Chemistry,Clinical Biochemistry,Biochemistry,Analytical Chemistry
Reference45 articles.
1. Arapitsas P, Speri G, Angeli A, Perenzoni D, Mattivi F (2014) The influence of storage on the “chemical age” of red wines. Metabolomics 10:816–832
2. Robinson J, Harding J, Vouillamoz J (2013) Wine grapes: a complete guide to 1368 vine varieties, including their origins and flavours. Penguin Books Ltd
3. Waterhouse AL, Sacks GL, Jeffery DW (2016) Understanding wine chemistry. Wiley, Hoboken, NJ. https://doi.org/10.1002/9781118730720
4. Poggesi S, Merkytė V, Longo E, Boselli E (2022) Effects of microvibrations and their damping on the evolution of pinot noir wine during bottle storage. Foods 11:2761
5. Crandles M, Wicks-Müller M, Schuessler C, Jung R (2016) The effect of simulated transportation conditions on the chemical, physical and sensory profiles of Müller-Thurgau and Scheurebe wines. J Food Sci Eng 6:177–196