北京工商大学食品与健康学院李贺贺研究员、孙宝国院士团队在Journal of Agricultural and Food Chemistry发表题目为“Flavor Perception and Formation Mechanism of Empty Cup Aroma in Soy Sauce Aroma Type Baijiu”研究论文（酱香型白酒空杯香气的口感感知及形成机理）。
摘要：
本研究针对酱香型白酒独特的空杯香气进行研究，旨在识别酱香型白酒中关键的香气成分，并探究其形成机理。酱香型白酒的空杯香气持续时间明显长于其他类型白酒，平均持续时间为28天。空杯香气中的关键化合物包括2,3-二甲基-5-乙基吡嗪、苯乙醇、对甲酚、索托隆、苯乙酸，因为它们的风味稀释倍数最高。采用分子动力学（MD）模拟研究了液气界面和固气界面上空杯香气的形成机理。研究结果显示，葫芦巴内酯与代表性非挥发性化合物乳酸之间存在氢键和范德华力，推测这是空杯香气产生的重要原因。
研究结果：
不同品种白酒空杯香气的持续时间
Figure 1. Lasting times of empty cup aroma in different kinds of baijius.
感官分析
Figure 2. Sensory profile comparison of SSB and empty cup.
乳酸和葫芦巴内酯在53%乙醇水溶液中的迁移行为
Figure 3. Schematic diagram of the gas–liquid simulation model of LA and sotolon in 53% ethanol aqueous solution.
Figure 4. Density distribution of different solvent molecules along the Z-axis in the initial state of simulation
Figure 5. Mean square displacement of ethanol, LA, and sotolon in a mixed system (a); ethanol in different simulation systems (b); LA and sotolon in different simulation systems (c).
Figure 6. Number of hydrogen bonds in different simulation systems, LA and sotolon in a mixed system (a); LA and sotolon with solvent molecules (b); LA and water molecules (c); LA and ethanol molecules (d).
空杯香气形成机理探究
Figure 7. Solid–gas simulation system and MD simulation trajectories of the LA molecular layer adhered to the cup wall and gaseous sotolon.
Figure 8. Interaction between LA and sotolon, mean square displacement (a); numbers of hydrogen bonds (b); IGM analysis (c).
