分子模拟技术在食品组分互作体系及安全领域的应用研究进展

傅亮; 吕金羚; 张锦; 庄国栋; 朱勇; 陈永生

doi:10.12187/2023.02.001

分子模拟技术在食品组分互作体系及安全领域的应用研究进展

1. 暨南大学理工学院, 广东广州 510632;
2. 贵州大学酿酒与食品工程学院, 贵州贵阳 550025;
3. 广东药科大学中药学院, 广东广州 511400

作者简介: 傅亮(1968-),男,湖南省益阳市人,暨南大学副教授,博士,主要研究方向为食品科学。E-mail:tfuliang@jnu.edu.cn;

基金项目: 国家自然科学基金青年基金项目(31901676,32001352)；广州市基础与应用基础研究项目(202102080221)；贵州省科技计划项目[黔科合支撑(2020)1Y171号]；阳西县级科技项目(21011)
中图分类号: TS201.2

Research progress on the application of molecular simulation technology in food component interaction system and safety

1. College of Science and Engineering, Jinan University, Guangzhou 510632, China;
2. School of Liquor and Food Engineering, Guizhou University, Guiyang 550025, China;
3. School of Traditional Chinese Medicine, Guangdong Pharmaceutical University, Guangzhou 511400, China
Received Date: 2022-05-23

CLC number: TS201.2

摘要: 在食品加工和储存过程中,组分分子之间会发生复杂的相互作用,传统的实验方法难以从分子层面对影响食品营养价值和安全性的互作机制进行清晰直观的阐释。分子模拟技术基于分子模型研究分子行为以预测或解释宏观实验现象,具有客观、高效、成本低廉等优点,是连接微观与宏观尺度的重要桥梁。对该技术在食品组分互作体系、食品安全领域中的应用研究进展进行了综述,认为:分子模拟技术能够从原子/分子层面揭示食品营养物质分子间的互作机制、食品污染物的毒理机制及抑菌机理,表征分子构象的动态变化、电子转移、共价键断裂和重建等可视化数据,为改善食品的加工工艺和储存条件、提高食品的安全性等生产实践提供指导性建议。然而,近年来该技术在应用过程中存在大多数互作体系的研究相对独立、高反应性的分子在模拟过程中被认为是纯分离物或惰性物质等问题,今后应深入研究并逐步完善环境诱导下食品组分分子的构象变化、功能特性与食品品质三者之间的联系,以期为分子模拟技术在食品不同领域的实际应用提供参考。
- 分子模拟技术 /
- 食品组分 /
- 互作机制 /
- 食品安全
Abstract: In the process of food processing and storage, there are complex interactions between components and molecules.Traditional test methods are difficult to clearly and intuitively explain the interaction mechanism affecting the nutritional value and safety of food from the molecular level. Molecular simulation technology is based on molecular model to study molecular behavior to predict or explain macroscopic experimental phenomena. It has the advantages of high efficiency and low cost, and is an important bridge between micro and macro scale. The application of this technology in food component interaction system was reviewed. It was considered that molecular simulation technology could reveal the molecular interaction mechanism of food nutrients, toxicological mechanism and bacteriostatic mechanism of food contaminants from the atomic/molecular level, characterize visual data such as dynamic changes of molecular conformation, electron transfer, covalent bond breakage and reconstruction, and provide guiding suggestions for practical production practices such as improving food processing and storage conditions and improving food safety. However, in recent years, there are some problems in the application of this technology, such as relatively independent and highly reactive molecules are considered as pure isolates or inert substances in the process of simulation. In the future, we should deeply study and gradually improve the relationship among conformational changes, functional properties and food quality of food component molecules induced by environment, in order to provide reference for the practical application of molecular simulation technology in different fields of food.
- molecular simulation technology /
- food component /
- interaction mechanism /
- food safety
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沈阳化工大学材料科学与工程学院沈阳 110142

分子模拟技术在食品组分互作体系及安全领域的应用研究进展

作者简介: 傅亮(1968-),男,湖南省益阳市人,暨南大学副教授,博士,主要研究方向为食品科学。E-mail:tfuliang@jnu.edu.cn;

Research progress on the application of molecular simulation technology in food component interaction system and safety

计量

通讯作者: 陈斌, bchen63@163.com

分子模拟技术在食品组分互作体系及安全领域的应用研究进展

作者简介:傅亮(1968-),男,湖南省益阳市人,暨南大学副教授,博士,主要研究方向为食品科学。E-mail:tfuliang@jnu.edu.cn

English Abstract

Research progress on the application of molecular simulation technology in food component interaction system and safety

目录

分子模拟技术在食品组分互作体系及安全领域的应用研究进展

作者简介: 傅亮(1968-),男,湖南省益阳市人,暨南大学副教授,博士,主要研究方向为食品科学。E-mail:tfuliang@jnu.edu.cn;

Research progress on the application of molecular simulation technology in food component interaction system and safety

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通讯作者: 陈斌, bchen63@163.com

分子模拟技术在食品组分互作体系及安全领域的应用研究进展

作者简介:傅亮(1968-),男,湖南省益阳市人,暨南大学副教授,博士,主要研究方向为食品科学。E-mail:tfuliang@jnu.edu.cn

English Abstract

Research progress on the application of molecular simulation technology in food component interaction system and safety

目录