食品科学技术学报2026，Vol.44Issue(2)：54-66,13.DOI:10.12301/spxb202600059
咖啡酸对葡萄酒中萜烯类物质挥发性影响的作用机制
Mechanism of Effect of Caffeic Acid on Terpene Volatility in Wine
摘要
Abstract
Terpenes are typical varietal aroma compounds in wine,and their volatilization and aroma expression are influenced by the matrix effect of phenolic compounds present in wine.Caffeic acid is a representative phenolic acid in wine and can affect the volatilization loss of terpene flavor compounds during wine storage.To elucidate the molecular interaction mechanism between terpenes and caffeic acid,a model wine system containing seven terpenes was prepared.Different concentrations of caffeic acid(0,62.5,125,250,500,and 750 mg/L)were added,and headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry was employed to monitor the changes in terpene concentrations during 90 days of storage at room temperature(25℃).Subsequently,sensory analysis was conducted to evaluate the effect of caffeic acid on the olfactory perception of terpenes in wine.Thermodynamic analysis and quantum chemical calculations were performed to investigate the terpene-caffeic acid interaction mechanism from both experimental and theoretical perspectives.Finally,chemical bond disruption experiments were carried out to validate the proposed interaction mechanism.The results showed that caffeic acid suppressed the volatilization of terpenes,with concentrations of 500 mg/L or higher exhibiting the most pronounced effect.After 90 days of storage,the total terpene content in the 750 mg/L caffeic acid treatment group was 113.42%of that in the control group,indicating a significant reduction in volatilization loss.Sensory analysis further corroborated these findings:compared with the control,the 750 mg/L caffeic acid treatment group induced highly significant differences(P<0.01)in the recognition rates of aroma perception changes for all seven terpenes.Thermodynamic parameters determined by ultraviolet-visible spectroscopy revealed that both ΔH° and ΔS° were positive,indicating that hydrophobic interactions constituted the primary driving force for the non-covalent interaction between terpenes and caffeic acid.In contrast,quantum chemical calculations yielded negative values for ΔH° and ΔS°,suggesting that hydrogen bonding was the key stabilizing factor in terpene-caffeic acid complexes.The chemical bond disruption experiments confirmed the synergistic presence of both hydrophobic interactions and hydrogen bonding in the terpene-caffeic acid system.It was concluded that the addition of caffeic acid at concentrations of 500 mg/L or higher during wine storage could mitigate the volatilization loss of terpenes,and that caffeic acid and terpenes could form stable complexes through hydrophobic interactions and hydrogen bonding.This study was expected to provide technical support and a theoretical basis for the regulation of terpene volatilization and aroma expression in wine,as well as the evaluation of the polyphenolic matrix effect.关键词
葡萄酒/萜烯类物质/咖啡酸/量子化学计算/分子互作Key words
wine/terpene/caffeic acid/quantum chemical calculation/molecular interaction分类
轻工纺织引用本文复制引用
宋鸿聪,王一清,冯林,李爱华,汪兴杰,陶永胜..咖啡酸对葡萄酒中萜烯类物质挥发性影响的作用机制[J].食品科学技术学报,2026,44(2):54-66,13.基金项目
国家自然科学联合基金重点项目(U25A20736). Key Project of Joint Fund of National Natural Science Foundation of China(NSFC)(U25A20736). （U25A20736）
