Chen Gang, Huang Kai, Miao Ming, Feng Biao, Campanella Osvaldo H
School of Food Science and Technology, Henan Univ. of Technology, 100 Lianhua St., Zhengzhou 450001, Henan, P. R. China.
State Key Laboratory of Food Science and Technology, Jiangnan Univ., 1800 Lihu Ave., Wuxi, 214122, Jiangsu, P. R. China.
Compr Rev Food Sci Food Saf. 2019 Jan;18(1):243-263. doi: 10.1111/1541-4337.12406. Epub 2018 Nov 28.
Molecular dynamics (MD) simulation is a useful technique to study the interaction between molecules and how they are affected by various processes and processing conditions. This review summarizes the application of MD simulations in food processing and safety, with an emphasis on the effects that emerging nonthermal technologies (for example, high hydrostatic pressure, pulsed electric field) have on the molecular and structural characteristics of foods and biomaterials. The advances and potential projection of MD simulations in the science and engineering aspects of food materials are discussed and focused on research work conducted to study the effects of emerging technologies on food components. It is expected by showing key case studies that it will stir novel developments as a valuable tool to study the effects of emerging food technologies on biomaterials. This review is useful to food researchers and the food industry, as well as researchers and practitioners working on flavor and nutraceutical encapsulations, dietary carbohydrate product developments, modified starches, protein engineering, and other novel food applications.
分子动力学（MD）模拟是一种用于研究分子间相互作用以及它们如何受到各种过程和加工条件影响的有用技术。本综述总结了MD模拟在食品加工和安全方面的应用，重点关注新兴非热技术（例如，高静水压、脉冲电场）对食品和生物材料的分子及结构特征的影响。讨论了MD模拟在食品材料科学与工程方面的进展和潜在预测，并聚焦于研究新兴技术对食品成分影响的研究工作。通过展示关键案例研究，有望激发其作为研究新兴食品技术对生物材料影响的有价值工具的新发展。本综述对食品研究人员和食品行业，以及从事风味和营养成分包封、膳食碳水化合物产品开发、变性淀粉、蛋白质工程和其他新型食品应用的研究人员和从业者均有帮助。
