More simple, efficient and accurate food research promoted by intermolecular interaction approaches: A review

Jinghao Zhang; Fangwei Li; Suxia Shen; Zhaotian Yang; Xingyu Ji; Xiao Wang; Xiaojun Liao; Yan Zhang

doi:10.1016/j.foodchem.2023.135726

More simple, efficient and accurate food research promoted by intermolecular interaction approaches: A review

Food Chem. 2023 Aug 1:416:135726. doi: 10.1016/j.foodchem.2023.135726. Epub 2023 Feb 24.

Authors

Jinghao Zhang¹, Fangwei Li², Suxia Shen¹, Zhaotian Yang¹, Xingyu Ji¹, Xiao Wang¹, Xiaojun Liao¹, Yan Zhang³

Affiliations

¹ 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.
² 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.
³ 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. Electronic address: zhangyan348@163.com.

PMID: 36893635
DOI: 10.1016/j.foodchem.2023.135726

Abstract

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.

Keywords: Food components; Intermolecular interaction; Molecular simulation; Quantum chemical calculations.

Publication types

Review

MeSH terms

Molecular Docking Simulation
Molecular Dynamics Simulation*