Use of computational modelling for selecting adsorbents for improved fining of wine

The chemical mechanisms involved in oxidation/reduction potential of wine during winemaking and aging are affecting its color, aroma and taste. Chemical oxidation is one of the major causes of development of off-flavors during ageing1. Thus, the chemical changes in wine during storage should be controlled to ensure the sensory quality of the product and avoid consumer rejection that will compromise the economic value of the product. The 1-hydroxyethyl radical has been recognized as the key radical intermediate in the oxidative reactions in wine2. Based on the kinetic study of POBN-1-hydroxyethyl spin adduct formation in wines initiated via the Fenton reaction, a novel tool was recently developed in our laboratory to quantify the resistance of wines against oxidation3.

The economic importance of grapevine as a crop plant makes Vitis vinífera a good model system to study the improvement of the nutraceutical properties of food products (Vezulli et al. 2007). Stilbenes in general, and trans-resveratrol in particular, have been reported to be responsible for various beneficial effects. Resveratrol´s biological properties include antibacteria and antifungal effects, as well as cardioprotective, neuroprotective and anticâncer actions (Guerrero et al. 2010 ). Stilbenes can be induced by biotic and abiotic elicitors since they are phytoalexins (Bavaresco et al. 2001).

Most vineyards are grafted and include a variety (Vitis vinifera) grafted over a wild Vitis rootstock (hybrids of V. berlandieri, riparia and rupestris). Grape berry quality at harvest depends on a subtle balance between acidity and the concentrations of sugars, polyphenols and precursors of aroma compounds. The mechanisms controlling the balance of sugars/acids/polyphenols are influenced by the abiotic environment, in particular nitrogen supply, and interact with the genotypes of both the scion variety and the rootstock. Previous work suggests that some of the effects of water stress are in fact linked to a nitrogen deficiency driven indirectly by the reduction of water absorption.

Several winemaking operations, such as filtration, pumping, and racking, are known to potentially facilitate the incorporation of atmospheric O2 into the wine. Control of grape must oxidation is one key aspect in the management of white wine aroma expression, color stability and shelf-life extension. On the one hand, controlled must oxidation may help to remove highly reactive phenolic compounds, which otherwise could contribute to premature oxidation. And on the other hand, in certain cases of extreme protection of the must from O2 (e.g. pressing under inert atmosphere), it can help to preserve varietal aromas and natural must antioxidants.

3-Isobutyl-2-methoxypyrazine (IBMP) is one of the key molecules in wine aroma with a bell pepper aroma and a very low threshold in wine, 1-6 ng/L for white wine and 10-16 ng/L in red wine1. The differences in these thresholds are likely due to IBMP-non volatile matrix interactions. It has indeed been shown that polyphenols may influence the volatility of flavor compounds2. In the present study, we focus on IBMP-polyphenols interactions in relation to volatility and sensory perception in model wine solution. Methods: 1. GC-MS Static Headspace Analysis: Samples were analyzed by Static headspace analysis with an Agilent 7890A gas chromatograph coupled to HP 5975C mass spectrometry detector (Agilent Technologies, Santa Clara, CA, USA).