¹H Nuclear Magnetic Resonance-Based Metabolomic Characterization of Wines by Grape Varieties and Production Areas

Abstract

(1)H NMR spectroscopy was used to investigate the metabolic differences in wines produced from different grape varieties and different regions. A significant separation among wines from Campbell Early, Cabernet Sauvignon, and Shiraz grapes was observed using principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA). The metabolites contributing to the separation were assigned to be 2,3-butanediol, lactate, acetate, proline, succinate, malate, glycerol, tartarate, glucose, and phenolic compounds by PCA and PLS-DA loading plots. Wines produced from Cabernet Sauvignon grapes harvested in the continental areas of Australia, France, and California were also separated. PLS-DA loading plots revealed that the level of proline in Californian Cabernet Sauvignon wines was higher than that in Australian and French Cabernet Sauvignon, Australian Shiraz, and Korean Campbell Early wines, showing that the chemical composition of the grape berries varies with the variety and growing area. This study highlights the applicability of NMR-based metabolomics with multivariate statistical data sets in determining wine quality and product origin.

Metabolic Phenotyping of Diet and Dietary Intake

“…The nature and structure of molecules found in wine are diverse and their concentration can vary depending on variety, making it an easy target for adulteration (43) The use of metabolic profiling techniques for wine analysis has been a useful tool to ensure the traceability and quality of wines (44). Metabolic profiling with NMR and HPLC-QTOFMS has permitted the identification of metabolite differences between grapes and wine varieties, for examples wines made with Campbell Early, Cabernet Sauvignon, and Shiraz grape and Cabernet Sauvignon, Merlot and Pinot Noir wine varieties (45,46). Additionally, the use of metabolic profiles has enabled detection of metabolite differences between the same wines varieties but produced in different stages of grape fermentation and different geographical locations (45,47).…”

“…Metabolic profiling with NMR and HPLC-QTOFMS has permitted the identification of metabolite differences between grapes and wine varieties, for examples wines made with Campbell Early, Cabernet Sauvignon, and Shiraz grape and Cabernet Sauvignon, Merlot and Pinot Noir wine varieties (45,46). Additionally, the use of metabolic profiles has enabled detection of metabolite differences between the same wines varieties but produced in different stages of grape fermentation and different geographical locations (45,47). In another study, samples of Riesling and Mueller-Thurgau wines from the Palatinate Region in Germany were analysed with NMR according to their quality classification assessed by a sensory panel.…”

Methods of Detecting Adulteration of Wines

“…Zawartość tych związków zależy m.in. od czynników, takich jak: odmiana, klimat, gleba, stopień dojrzałości winogron, sposób winifikacji [11,13,25,30]. Zafałszowania win mogą polegać na: nieprawdziwej deklaracji odmiany winogron, regionu pochodzenia i winobrania, dodatku wody, cukru, glicerolu, barwieniu win [1,6,22,27].…”

“…mniejszych kwadratów, czynnikową analizę dyskryminacyjną, badanie zmiennych kanonicznych, hierarchiczną analizę skupień oraz sztuczne sieci neuronowe [2,18,25,29].…”

“…Zafałszowania win polegające na nieprawdziwej deklaracji odmiany winogron, regionu pochodzenia i roku zbioru można ocenić poprzez analizę widma NMR metabolitów za pomocą technik statystycznych, umożliwiających klasyfikację win (PCA, PLS-DA). Pomimo stosunkowo niskiej czułości w porównaniu z innymi technikami, NMR ma wiele zalet: jest techniką niedestrukcyjną, przygotowanie próbek jest proste i zajmuje mało czasu, zbieranie danych jest szybkie, za pomocą NMR można wykryć i kompleksowo scharakteryzować wiele składników organicznych, w złożonej mieszaninie jaką jest wino [1,25,26,30]. Warunki środowiska w winnicy wpływają na metabolity winogron i win.…”