冰酒气味剂的分子描述剂:对它们与新陈代谢和嗅觉感知之间的关系的第一次见解
Yue Ma1,2, Yan Xu1,2, Ke Tang1,2
1Lab of Brewing Microbiology and Applied Enzymology, School of Biotechnology, Jiangnan University, Wuxi, Jiangsu, P. R. China.
Journal of food science
|January 15, 2024
概括
分子描述器将冰葡萄酒香味化合物与各种前体区分开来. 这种计算化学方法有助于对气味物进行分类,并预测发酵饮料中的气味感知.
科学领域:
- 食品化学 食品化学
- 计算化学计算化学
- 感官科学 感官科学
背景情况:
- 冰酒的香味很复杂,受到众多挥发性化合物的影响.
- 了解化学结构和气味感知之间的关系对于质量控制和开发至关重要.
研究的目的:
- 研究基于其前体的冰酒气味剂的物理化学差异.
- 为了将分子描述符与嗅觉感知相关联,用于香味分类.
主要方法:
- 冰葡萄酒中的气味活性化合物使用气体染色学- Olfactometry (GC-O) 识别.
- 综合二维GC和飞行时间MS (GC×GC-TOFMS) 用于化合物识别.
- 使用计算化学软件计算的分子描述符.
主要成果:
- 来自不同前体的气味剂可以根据分子描述符清晰地分离.
- 特定的描述器块,包括构成指数和基于二维矩阵的描述器,是关键的差异化因素.
- 对于描述为蜂蜜/土豆与桃子/烟雾的化合物,观察到不同的分子描述剂.
结论:
- 分子描述器可以有效地根据前体来源对冰葡萄酒芳香化合物进行分类.
- 这项研究为计算预测发酵饮料中的香味感知提供了基础.
- 这些发现支持对气味活性化合物和气味混合物分析的分类系统的开发.
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