酯类化合物的嗅觉-味觉跨模态机制解析
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(1.老年营养与健康教育部重点实验室(北京工商大学) 北京 100048;2.中国轻工业酿酒分子工程重点实验室(北京工商大学) 北京 100048)

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国家自然科学基金优秀青年科学基金项目


Analysis of the Olfactory-gustatory Cross-modal Mechanism of Esters Compounds
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(1.Key Laboratory of Geriatric Nutrition and Health (Beijing Technology and Business University),Ministry of Education, Beijing 100048;2.Key Laboratory of Brewing Molecular Engineering of China Light Industry(Beijing Technology and Business University), Beijing 100048)

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    摘要:

    目的:以40%体积分数的乙醇水溶液为基质,研究饮料酒中30种关键酯类化合物的嗅觉对味觉跨模态增强作用,揭示该作用与分子结构、理化性质及嗅觉受体结合能之间的构效关系。方法:以40%体积分数的乙醇水溶液为基质,采用十杯法分别在嗅觉阻断与正常感知状态下测定30种酯类化合物的味觉阈值,并计算跨模态味觉增强比。运用分子对接技术计算各酯与嗅觉受体OR51E2的结合能。进一步关联碳链长度、LogP值、亨利常数等理化参数,通过Spearman相关分析揭示关键影响因素。结果:30种酯类化合物的味觉增强倍数介于1.0至8.5之间。其中,直链饱和C6~C10乙酯(如己酸乙酯、辛酸乙酯)的增强倍数最高,显著高于苯环类酯及乳酸酯类(P < 0.05);支链结构及羟基的引入则显著削弱该增强效应(P < 0.05)。增强倍数与OR51E2结合能(r = -0.663,P < 0.0001)及亨利常数(r = -0.700,P < 0.0001)均呈显著负相关关系。结论:直链饱和C6~C10结构是酯类化合物发挥跨模态味觉增强作用的优势骨架,碳链长度、挥发性及嗅觉受体亲和力是该效应的核心驱动因素。本研究从分子层面揭示了酯类化合物通过嗅觉通路增强味觉感知的结构基础,为饮料酒风味设计与跨模态风味调控提供了定量依据与理论参考。

    Abstract:

    Objective: To investigate the cross-modal enhancement effect of 30 key ester compounds in beverage alcohol on taste perception using a 40% ethanol aqueous solution as the medium, and to reveal the structure-activity relationship between this effect and molecular structure, physicochemical properties, and binding energy with olfactory receptors. Methods: Using a 40% ethanol aqueous solution as the matrix, the taste thresholds of 30 ester compounds were determined under both olfactory blocked and normal perception conditions by the ten-cup method, and the cross-modal taste enhancement multiple was calculated. Molecular docking technology was used to calculate the binding energy of each ester with the olfactory receptor OR51E2. Further, the carbon chain length, LogP, Henry's constant and other physicochemical parameters were correlated, and the key influencing factors were revealed through Spearman correlation analysis. Results: The taste enhancement multiple of the 30 ester compounds ranged from 1.0 to 8.5. Among them, the straight-chain saturated C6-C10 ethyl esters (such as ethyl caproate and ethyl octanoate) had the highest enhancement multiple, significantly higher than those of aromatic esters and lactic acid esters (P < 0.05). The introduction of branched structures and hydroxyl groups significantly weakened this enhancement effect (P < 0.05). The enhancement multiple was significantly negatively correlated with the binding energy of OR51E2 (r = -0.663, P < 0.0001) and Henry's constant (r = -0.700, P < 0.0001). Conclusion: The straight-chain saturated C6-C10 structure was the advantageous skeleton for ester compounds to exert cross-modal taste enhancement effects, and carbon chain length, volatility and olfactory receptor affinity were the core driving factors of this effect. This study revealed the structural basis of ester compounds enhancing taste perception through the olfactory pathway at the molecular level, providing quantitative basis and theoretical guidance for the flavor design and cross-modal flavor regulation of beverage alcohol.

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杨韵琳,张义梅,李贺贺,赵东瑞,王柏文,孙宝国,孙金沅.酯类化合物的嗅觉-味觉跨模态机制解析[J].中国食品学报,2026,26(5):216-226

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  • 收稿日期:2026-04-01
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  • 在线发布日期: 2026-06-24
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