Zhang Jinghao, Li Fangwei, Shen Suxia, Yang Zhaotian, Ji Xingyu, Wang Xiao, Liao Xiaojun, Zhang Yan
College of Food Science and Nutritional Engineering, China Agricultural University, Beijing 100083, People's Republic of China; National Engineering Research Center for Fruit and Vegetable Processing, Ministry of Science and Technology, Beijing 100083, People's Republic of China; Key Laboratory of Fruits and Vegetables Processing, Ministry of Agriculture and Rural Affairs, Beijing 100083, People's Republic of China; Beijing Key Laboratory of Food Non-Thermal Processing, Beijing 100083, People's Republic of China.
College of Food Science and Nutritional Engineering, China Agricultural University, Beijing 100083, People's Republic of China; National Engineering Research Center for Fruit and Vegetable Processing, Ministry of Science and Technology, Beijing 100083, People's Republic of China; Key Laboratory of Fruits and Vegetables Processing, Ministry of Agriculture and Rural Affairs, Beijing 100083, People's Republic of China; Beijing Key Laboratory of Food Non-Thermal Processing, Beijing 100083, People's Republic of China; College of Food Science and Engineering, Ocean University of China, Qingdao 266003, People's Republic of China.
Food Chem. 2023 Aug 1;416:135726. doi: 10.1016/j.foodchem.2023.135726. Epub 2023 Feb 24.
The investigation of intermolecular interactions has become increasingly important in many studies, mainly by combining different analytical approaches to reveal the molecular mechanisms behind specific experimental phenomena. From spectroscopic analysis to sophisticated molecular simulation techniques like molecular docking, molecular dynamics (MD) simulation, and quantum chemical calculations (QCC), the mechanisms of intermolecular interactions are gradually being characterized more clearly and accurately, leading to revolutionary advances. This article aims to review the progression in the main techniques involving intermolecular interactions in food research and the corresponding experimental results. Finally, we discuss the significant impact that cutting-edge molecular simulation technologies may have on the future of conducting deeper exploration. Applications of molecular simulation technology may revolutionize the food research, making it possible to design new future foods with precise nutrition and desired properties.
在许多研究中，分子间相互作用的研究变得越来越重要，主要是通过结合不同的分析方法来揭示特定实验现象背后的分子机制。从光谱分析到复杂的分子模拟技术，如分子对接、分子动力学（MD）模拟和量子化学计算（QCC），分子间相互作用的机制正逐渐被更清晰、准确地表征，从而带来革命性的进展。本文旨在综述食品研究中涉及分子间相互作用的主要技术进展及相应的实验结果。最后，我们讨论前沿分子模拟技术可能对未来进行更深入探索产生的重大影响。分子模拟技术的应用可能会彻底改变食品研究，使设计具有精确营养和所需特性的新型未来食品成为可能。
