Carbocations and the Complex Flavor and Bouquet of Wine: Mechanistic Aspects of Terpene Biosynthesis in Wine Grapes

Henry B. Wedler; Ryan P. Pemberton; Dean J. Tantillo

doi:10.3390/molecules200610781

Molecules (Jun 2015)

Carbocations and the Complex Flavor and Bouquet of Wine: Mechanistic Aspects of Terpene Biosynthesis in Wine Grapes

Henry B. Wedler,
Ryan P. Pemberton,
Dean J. Tantillo

Affiliations

Henry B. Wedler: Department of Chemistry, University of California, Davis, One Shields Avenue, Davis, CA 95616, USA
Ryan P. Pemberton: Department of Chemistry, University of California, Davis, One Shields Avenue, Davis, CA 95616, USA
Dean J. Tantillo: Department of Chemistry, University of California, Davis, One Shields Avenue, Davis, CA 95616, USA

DOI: https://doi.org/10.3390/molecules200610781
Journal volume & issue: Vol. 20, no. 6
pp. 10781 – 10792

Abstract

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Computational chemistry approaches for studying the formation of terpenes/terpenoids in wines are presented, using five particular terpenes/terpenoids (1,8-cineole, α-ylangene, botrydial, rotundone, and the wine lactone), volatile compounds (or their precursors) found in wine and/or wine grapes, as representative examples. Through these examples, we show how modern computational quantum chemistry can be employed as an effective tool for assessing the validity of proposed mechanisms for terpene/terpenoid formation.

Published in Molecules

ISSN: 1420-3049 (Online)
Publisher: MDPI AG
Country of publisher: Switzerland
LCC subjects: Science: Chemistry: Organic chemistry
Website: http://www.mdpi.com/journal/molecules

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