From a new published paper in Scientific Report by Bjorn C. G. Karlsson and Ran Friedman: Despite the growing knowledge of the nature of water-alcohol mixtures on a molecular level, much less is known on the interaction of water, alcohol and small solutes. In particular, the nature of the interaction between the solvent and taste-carrying molecules, such as guaiacol, is not known. To address this gap, we used MD simulations to study the distribution of guaiacol in water-alcohol mixtures of different concentrations. Our simulations revealed that guaiacol is present at the air-liquid interface at ethanol concentrations that correspond to the alcohol content of bottled or diluted whiskies. Because the drink is consumed at the interface first, our findings help to understand why adding water to whisky helps to enhance its taste. A molecular understanding of the nature of taste compounds in water-alcohol mixtures allows for optimizing the taste of alcoholic spirits. […] Overall, there is a fine balance between diluting the whisky to taste and diluting the whisky to waste.
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