Collaborative Innovation Center of Fragrance Flavour and Cosmetics, School of Perfume and Aroma Technology (Shanghai Research Institute of Fragrance & Flavour Industry), Shanghai Institute of Technology, Shanghai 201418, China.
Collaborative Innovation Center of Fragrance Flavour and Cosmetics, School of Perfume and Aroma Technology (Shanghai Research Institute of Fragrance & Flavour Industry), Shanghai Institute of Technology, Shanghai 201418, China; Key Laboratory of Textile Science & Technology, Ministry of Education, College of Textiles, Donghua University, Shanghai 201620, China.
Food Chem. 2024 Nov 1;457:140160. doi: 10.1016/j.foodchem.2024.140160. Epub 2024 Jun 20.
The dynamic combination of aromas and cyclodextrins is an important means to achieve their stability and controllability, and accurately revealing their interaction rules is the key to designing and constructing high-quality aroma nanocarriers. In this study, the inclusion mechanism between alcohol aroma compounds with different structures and β-cyclodextrin (β-CD) was studied by combining molecular dynamics simulation and experimental methods. Results showed that the selected alcohol aroma compounds formed inclusion complexes (ICs) with β-CD in a 1:1 ratio, while alcohol aroma compounds containing cyclic structures were more tightly bound to β-CD. Van der Waals forces were the primary forces driving the formation and stabilization of the ICs. Cinnamyl alcohol/β-CD ICs showed the most significant antimicrobial effect and notably prolonged the shelf life of strawberries. This study aimed to provide theoretical support for precisely designing and preparing highly stable flavours and fragrances, as well as expanding their application range.
香气与环糊精的动态组合是实现其稳定性和可控性的重要手段，准确揭示其相互作用规律是设计和构建高质量香气纳米载体的关键。本研究采用分子动力学模拟与实验相结合的方法，研究了不同结构的醇类香气化合物与β-环糊精（β-CD）的包合机理。结果表明，所选醇类香气化合物与β-CD 以 1:1 的比例形成包合物（IC），而含有环状结构的醇类香气化合物与β-CD 的结合更为紧密。范德华力是形成和稳定 IC 的主要作用力。肉桂醇/β-CD IC 表现出最显著的抗菌效果，显著延长了草莓的货架期。本研究旨在为精确设计和制备高稳定性的香精香料提供理论支持，并拓展其应用范围。
