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Grape and Wine Metabolome Analysis

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A special issue of Metabolites (ISSN 2218-1989). This special issue belongs to the section "Food Metabolomics".

Deadline for manuscript submissions: closed (15 March 2022) | Viewed by 28931

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Dr. Panagiotis Arapitsas

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Guest Editor

Research and Innovation Centre, Fondazione Edmund Mach(FEM), Via E. Mach 1, 38010 San Michele all’Adige, Italy
Interests: wine science; food chemistry; metabolomics; polyphenols; mass spectrometry; oenology

Dr. Carlin Silvia

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Guest Editor

Research and Innovation Centre, Fondazione Edmund Mach(FEM), Via E. Mach 1, 38010 San Michele all’Adige, Italy
Interests: volatile compounds; GC and GCXGC; mass spectrometry; olfactometry; wine science; food chemistry

Special Issue Information

Dear Colleagues,

Grape and wine have been key elements of human culture and nutrition since thousands of years. Their chemical composition includes carbohydrates, amino acids, lipids, peptides, polyphenols, terpenes, norisoprenoids, amines, indoles, vitamins, sulfur compounds, carotenoids, alkaloids, organic acids, alcohols, aldehydes, etc. Grape is cultivated and consumed worldwide while wine should be the richest foodstuff in terms of metabolites number. The last two decays, various metabolomic approaches helped us to improve our knowledge in viticulture and oenology, especially in the fields of food quality and safety, adulteration, authenticity, breeding, biotic and abiotic stresses, sensorial analysis, terroir, alcoholic and malolactic fermentations, microorganisms, shelf-life, aging, human health and nutrition. Almost all types of instrumentation and technological tools have been used, like LC, GC, 2D LC, 2D GC, CE, QTof-MS, Orbitrap, FTICR-MS, Ion mobility and NMR. Moreover, bioinformatic tools were builded for the analysis of grape and wine metabolomes.

The current Special Issue will publish recent advancements in grape and wine metabolome analysis, regarding all the above mentioned aspects.

Dr. Panagiotis Arapitsas
Dr. Carlin Silvia
Guest Editors

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Keywords

Vitis vinifera L.
Oenology
Viticulture
Food Quality and Safety
Traceability and authentication
Primary and secondary metabolism
Mass spectrometry
Metabolic fingerprinting
Nuclear magnetic resonance
Microorganisms

Published Papers (10 papers)

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18 pages, 854 KiB

Open AccessArticle

A Targeted and an Untargeted Metabolomics Approach to the Volatile Aroma Profile of Young ‘Maraština’ Wines

by Ana Boban, Urska Vrhovsek, Silvia Carlin, Ana Mucalo and Irena Budić-Leto

Metabolites 2022, 12(12), 1295; https://doi.org/10.3390/metabo12121295 - 19 Dec 2022

Cited by 5 | Viewed by 1734

Abstract

This study investigated the detailed volatile aroma profile of young white wines of Maraština, Vitis Vinifera L., produced by spontaneous fermentation. The wines were produced from 10 vineyards located in two Dalmatian subregions (Northern Dalmatia and Central and Southern Dalmatia). Volatile compounds from the wine samples were isolated by solid-phase extraction (SPE) and analyzed by an untargeted approach using two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC×GC/TOF-MS) and a targeted approach by gas chromatography–tandem mass spectrometry (GC-MS/MS). A comprehensive two-dimensional GC×GC analysis detailed the total volatile metabolites in the wines due to its excellent separation ability. More than 900 compounds were detected after untargeted profiling; 188 of them were identified or tentatively identified. A total of 56 volatile compounds were identified and quantified using GC-MS/MS analysis. The predominant classes in Maraština wines were acids, esters, and alcohols. The key odorants with odor activity values higher than one were β-damascenone, ethyl caprylate, ethyl isovalerate, ethyl 2-methylbutyrate, ethyl caproate, isopentyl acetate, ethyl butyrate, and phenylacetaldehyde. The metabolomics approach can provide a large amount of information and can help to anticipate variation in wines or change winemaking procedures. Full article

(This article belongs to the Special Issue Grape and Wine Metabolome Analysis)

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18 pages, 2699 KiB

Open AccessArticle

Effects of Water Stress, Defoliation and Crop Thinning on Vitis vinifera L. cv. Solaris Must and Wine Part II: ¹H NMR Metabolomics

by Violetta Aru, Andreas Paul Nittnaus, Klavs Martin Sørensen, Torben Bo Toldam-Andersen and Søren Balling Engelsen

Metabolites 2022, 12(7), 672; https://doi.org/10.3390/metabo12070672 - 21 Jul 2022

Cited by 2 | Viewed by 1563

Abstract

Proton nuclear magnetic resonance (¹H NMR) metabolomics was employed to investigate the impact of water deficit, defoliation, and crop thinning on the chemical composition of must and wines from the cool-climate white grape variety Solaris. The obtained results show that viticultural practices (defoliation and crop thinning) affected the amino acid and sugar content of Solaris must and thereby the quality of the final wine—mainly in terms of compounds normally related to fruity aroma (i.e., isopentanol), non-sugar sweetness (i.e., proline and glycerol), and alcohol content. The content of tyrosol, a natural phenolic antioxidant with a high bioavailability, was increased in the final wine by a combination of defoliation and crop thinning. The results of the metabolomics analysis performed on the must and wine samples from the water stress experiment showed that short-term water deficit significantly affected the concentration of several flavor-related compounds, including glutamate, butyrate and propanol, of the organic acids lactate and fumarate, and of the phenolic compounds caffeic acid and p-coumaric acid. ANOVA simultaneous component analysis showed that the effect of water deficit accounted for 11% (p < 0.001) and 8% (p < 0.001) of the variability in the metabolite concentrations in must and wines, respectively, while viticultural practices accounted for 38% (p < 0.001) and 30% (p < 0.001) of the metabolite variability in must and wines, respectively. Full article

(This article belongs to the Special Issue Grape and Wine Metabolome Analysis)

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15 pages, 1207 KiB

Open AccessArticle

Effects of Water Stress, Defoliation and Crop Thinning on Vitis vinifera L. cv. Solaris: Part I: Plant Responses, Fruit Development and Fruit Quality

by Violetta Aru, Andreas Paul Nittnaus, Klavs Martin Sørensen, Søren Balling Engelsen and Torben Bo Toldam-Andersen

Metabolites 2022, 12(4), 363; https://doi.org/10.3390/metabo12040363 - 18 Apr 2022

Cited by 6 | Viewed by 2456

Abstract

Viticultural practices and irrigation have a major impact on fruit development and yield, and ultimately on must quality. The effects of water deficit (WD), defoliation (Def), and crop-thinning (CT) on Solaris plants and fruit development, as well as on the chemical composition of grape juice were investigated. WD was induced at three periods during fruit development (pre-veraison, veraison, and ripening) in pot-grown plants, while Def and CT were carried out on field-grown plants. Environmental and vegetative parameters were monitored during the experiments. The bulk chemical composition of the fruits was determined in juice by Fourier Transform-Infrared (FT-IR) spectroscopy throughout fruit ripening and at final harvest. The results showed that WD reduced soil water content and leaf water status. CT significantly reduced yield per vine, but increased cluster size. Mid to late WD reduced soluble solids by 1%. CT increased sugar content in juice, while Def decreased sugar accumulation. Total acids were higher in the juice from the field vines. Yet, CT lowered malic and tartaric acids. Def increased tartaric acid. Ammonia and alpha amino nitrogen were higher in the juice from pot-grown vines, while pH was lowered by Def and raised by CT. It is concluded that Solaris has a remarkable ability to tolerate and recover from WD. CT and Def significantly affected the bulk chemical composition of grapes in terms of total acidity and sugar accumulation, with CT grapes having the highest sugar content and the lowest total acidity and Def the opposite. Full article

(This article belongs to the Special Issue Grape and Wine Metabolome Analysis)

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10 pages, 1251 KiB

Open AccessArticle

Sulfonation Reactions behind the Fate of White Wine’s Shelf-Life

by Maria Nikolantonaki, Rémy Romanet, Marianna Lucio, Philippe Schmitt-Kopplin and Régis Gougeon

Metabolites 2022, 12(4), 323; https://doi.org/10.3390/metabo12040323 - 02 Apr 2022

Cited by 3 | Viewed by 2082

Abstract

White wine’s oxidative stability after several years of bottle aging is synonymous to its organoleptic quality. In order to gain control over the cascade of chemical reactions that are implicated in that phenomenon, fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS)-based metabolomics and sensory evaluation were combined for the analysis of a vertical series of white wines from different vineyard plots. Data mining using supervised cluster analysis allowed the extraction of known and unknown sulfur- and nitrogen-containing molecular features, with oxidative stability molecular markers presenting an increased number of S and O atoms in their formulas. In their majority, S-containing molecular features possessed between 4 to ~12 O atoms, indicating the relatively higher importance of sulfonation reactions as opposed to dimerization reactions. Molecular networking, based on sulfonation reaction transformations, evidences the importance of hitherto unknown and/or minor sulfur dioxide binders (peptides, aldehydes, and polyphenols) on wine’s oxidative stability. Full article

(This article belongs to the Special Issue Grape and Wine Metabolome Analysis)

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20 pages, 2631 KiB

Open AccessArticle

Measurement of the Effect of Accelerated Aging on the Aromatic Compounds of Gewürztraminer and Teroldego Wines, Using a SPE-GC-MS/MS Protocol

by Silvia Carlin, Cesare Lotti, Ludovica Correggi, Fulvio Mattivi, Panagiotis Arapitsas and Urška Vrhovšek

Metabolites 2022, 12(2), 180; https://doi.org/10.3390/metabo12020180 - 15 Feb 2022

Cited by 10 | Viewed by 2839

Abstract

Knowing in detail how the white and red wine aroma compounds behave under various storage conditions and especially at high temperature is important in order to understand the changes occurring to their sensorial character during the shelf life. The initial aim of this work was to develop and validate a fast, modern, robust, and comprehensive protocol for the quantification of 64 primary, secondary, and tertiary volatile compounds by using solid-phase extraction (SPE) cartridges in sample preparation and fast GC-MS/MS (gas chromatography-tandem mass spectrometry assay) in analysis. The protocol was applied to a study of the behavior of seven Gewürztraminer and seven Teroldego wines stored in anoxia at 50 °C for 2.5 and 5 weeks. The results demonstrated a sharp decrease of the main linear terpenes linalool, geraniol, and nerol and the consequent increase of the cyclic ones, such as α-terpineol and 1,8-cineole; the increase of the C13-norisoprenoids 1,1,6,-trimethyl-1,2-dihydronapthalene (TDN), and β-damascenone and the C10 norisoprenoid safranal; the hydrolysis of acetates and linear esters; and the increase of some branched-chain esters. In red wines, a moderate increase was observed for some lactones. Some unwanted compounds, such as 2-aminoacetophenone (2-AAP), showed a notable increase in some Gewürztraminer wines, exceeding the olfactory threshold. Full article

(This article belongs to the Special Issue Grape and Wine Metabolome Analysis)

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17 pages, 2504 KiB

Open AccessArticle

LC–MS-Based Metabolomics Discriminates Premium from Standard Chilean cv. Cabernet Sauvignon Wines from Different Valleys

by Vania Sáez, Doreen Schober, Álvaro González and Panagiotis Arapitsas

Metabolites 2021, 11(12), 829; https://doi.org/10.3390/metabo11120829 - 30 Nov 2021

Cited by 3 | Viewed by 3368

Abstract

Cabernet Sauvignon grapes in Chile, mainly grown between the 30° S and 36° S, account for more than 30% of Chilean wine production, and yield wines with different characteristics which influence their quality. The aim of this study was to apply a liquid chromatography—mass spectrometry (LC–MS)-based metabolomic protocol to investigate the quality differentiation in a sample set of monovarietal wines from eight valleys covering 679 km of the north-south extension. All samples were produced using a standardized red winemaking process and classified according to a company categorization in two major groups: premium and standard, and each group in two subcategories. The results pointed out that N-containing metabolites (mainly small peptides) are promising biomarkers for quality differentiation. Moreover, the premium wines were characterized by higher amounts of anthocyanins and other glycosylated and acetylated flavonoids, as well as phenolic acids; standard quality wines, on the other hand, presented stilbenoids and sulfonated catabolites of tryptophan and flavanols. Full article

(This article belongs to the Special Issue Grape and Wine Metabolome Analysis)

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19 pages, 2108 KiB

Open AccessArticle

Assessment of Antioxidant and Antimutagenic Properties of Red and White Wine Extracts In Vitro

by Fotios Tekos, Sotiria Makri, Zoi-Vasiliki Skaperda, Anastasia Patouna, Kallirroi Terizi, Ioannis D. Kyriazis, Yorgos Kotseridis, Eleni Vaskani Mikropoulou, Georgios Papaefstathiou, Maria Halabalaki and Kouretas Demetrios

Metabolites 2021, 11(7), 436; https://doi.org/10.3390/metabo11070436 - 02 Jul 2021

Cited by 15 | Viewed by 3035

Abstract

Wine is an alcoholic beverage of complex composition obtained through the fermentation of grape must. The consumption of wine has already been associated with a multitude of beneficial effects due to its high polyphenolic content. In this study, four Greek emblematic wines from two red (i.e., Xinomavro and Agiorgitiko) and two white (i.e., Assyrtiko and Malagouzia) varieties were analyzed for the estimation of their antioxidant profiles. To address this question, we assessed their ability to scavenge both synthetic and endogenous free radicals, such as DPPH^•, ABTS⁺^•, OH^•, O₂⁻, their potential reducing power, and their antimutagenic and antigenotoxic properties. All varieties exhibited potent antioxidant activity, as indicated by the results of methods above, with the red wines appearing more effective than the white ones regarding antioxidant capacity. Our small-scale study is the first to reveal that these wine varieties may have the ability to scavenge the most reactive endogenous radicals. In the future, this finding must be accompanied by larger studies to fill a knowledge gap in the scientific literature concerning a holistic approach of the in vitro antioxidant action of plant polyphenolic compounds. Conclusively, we believe that wines possess high bioactivity that allow them to settle in the industry of food additives and medicinal products. Full article

(This article belongs to the Special Issue Grape and Wine Metabolome Analysis)

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24 pages, 3320 KiB

Open AccessArticle

Cluster Thinning and Vineyard Site Modulate the Metabolomic Profile of Ribolla Gialla Base and Sparkling Wines

by Domen Škrab, Paolo Sivilotti, Piergiorgio Comuzzo, Sabrina Voce, Francesco Degano, Silvia Carlin, Panagiotis Arapitsas, Domenico Masuero and Urška Vrhovšek

Metabolites 2021, 11(5), 331; https://doi.org/10.3390/metabo11050331 - 20 May 2021

Cited by 12 | Viewed by 3010

Abstract

Depending on the vineyard location, cluster thinning (CT) may represent an effective tool to obtain the desired grape composition and wine quality. The effect of 20% cluster thinning on Ribolla Gialla (Vitis vinifera L.) sparkling wine aroma, lipid compounds, and aromatic amino acid (AAA) metabolites composition was studied for three consecutive seasons in two vineyards located in the Friuli Venezia Giulia region, Italy. In the examined sparkling wines, the vintage meteorological conditions exhibited significant influences on the metabolic profile of the samples. Data were normalized by season, and the impact of the CT treatment was evaluated for each vineyard site separately. Crop removal showed a limited positive impact on aroma compounds in sparkling wines from vineyards located in the valley. Concerning the AAA compounds, their concentration was higher in the vineyard at the foot of the hills. Cluster thinning resulted in a drop in concentration, reducing the risk of atypical aging. Despite minor differences according to targeted metabolome profiling, the sensory analysis confirmed the effects of the CT treatment in the valley floor vineyard. Reducing crop in this site, where the yield was higher, promoted a moderate improvement of Ribolla Gialla sparkling wine. In contrast, for wine produced in the vineyard at the foot of the hills, the sensory analysis indicated a preference for wines from the unthinned control samples. Overall, the study indicates that cluster thinning is a viticultural technique that could potentially improve the quality of Ribolla Gialla sparkling wines, but only in situations of excessive grape production. Full article

(This article belongs to the Special Issue Grape and Wine Metabolome Analysis)

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9 pages, 625 KiB

Open AccessArticle

Profile of Stilbenes and Other Phenolics in Fanagoria White and Red Russian Wines

by Andrey R. Suprun, Alexandra S. Dubrovina, Alexey P. Tyunin and Konstantin V. Kiselev

Metabolites 2021, 11(4), 231; https://doi.org/10.3390/metabo11040231 - 09 Apr 2021

Cited by 11 | Viewed by 1912

Abstract

Grapes and wines represent the most important source of edible stilbenes and other phenolic metabolites, which demonstrate a wide range of valuable biological activities. However, there is no information about the profile and content of phenolic compounds in Russian wines. We firstly analyzed phenolics (stilbenes, phenolic acids, and flavonols) in some representatives of Russian wines, including eleven red and seven white Russian wines from Fanagoria, Krasnodarsky Territory. The Russian red wines contained six stilbenes (trans-resveratrol, cis-resveratrol, trans-, cis-piceid, trans-piceatannol, δ-viniferin), while the white wines contained only five stilbenes (cis-resveratrol, trans-, cis-piceid, trans-piceatannol, trans-resveratrol). More than a half of the total stilbenes in the wines (65% of all stilbenes) were presented by trans-piceid and cis-piceid, while trans-resveratrol reached 16% of all the stilbenes. The red wines also contained six phenolic acids and six flavonols, while the white wines contained six phenolic acids and only three flavonols. Myrecitin-3-O-glucoside, quercetin-3-O-glucoside, and myricetin were the major flavonols in the red wines, while dihydroquercetin-3-O-rhamnoside was the major flavonol in the white wines. The red wines contained markedly higher amounts of stilbenes, phenolic acids, and flavonols than the white wines. Thus, the data showed that young red Russian Fanagoria wines represent a rich source of phenolic compounds. The study also revealed that younger wines were more abundant in phenolics, and wine storage for six months in the dark at +10 °C led to a decrease in the total content of phenolics, primarily monomeric stilbenes and quercetin-3-O-glucoside and quercetin flavonols. Full article

(This article belongs to the Special Issue Grape and Wine Metabolome Analysis)

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16 pages, 983 KiB

Open AccessTechnical Note

Grapevine and Wine Metabolomics-Based Guidelines for FAIR Data and Metadata Management

by Stefania Savoi, Panagiotis Arapitsas, Éric Duchêne, Maria Nikolantonaki, Ignacio Ontañón, Silvia Carlin, Florian Schwander, Régis D. Gougeon, António César Silva Ferreira, Georgios Theodoridis, Reinhard Töpfer, Urska Vrhovsek, Anne-Francoise Adam-Blondon, Mario Pezzotti and Fulvio Mattivi

Metabolites 2021, 11(11), 757; https://doi.org/10.3390/metabo11110757 - 03 Nov 2021

Cited by 14 | Viewed by 4887

Abstract

In the era of big and omics data, good organization, management, and description of experimental data are crucial for achieving high-quality datasets. This, in turn, is essential for the export of robust results, to publish reliable papers, make data more easily available, and unlock the huge potential of data reuse. Lately, more and more journals now require authors to share data and metadata according to the FAIR (Findable, Accessible, Interoperable, Reusable) principles. This work aims to provide a step-by-step guideline for the FAIR data and metadata management specific to grapevine and wine science. In detail, the guidelines include recommendations for the organization of data and metadata regarding (i) meaningful information on experimental design and phenotyping, (ii) sample collection, (iii) sample preparation, (iv) chemotype analysis, (v) data analysis (vi) metabolite annotation, and (vii) basic ontologies. We hope that these guidelines will be helpful for the grapevine and wine metabolomics community and that it will benefit from the true potential of data usage in creating new knowledge being revealed. Full article

(This article belongs to the Special Issue Grape and Wine Metabolome Analysis)

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