分子动力学模拟脉冲电场对高盐腌制牛肉细胞膜结构影响  

Effects of pulsed electric fields based on molecular dynamics simulations on the cell membrane structure of salted beef under high salinity conditions

作　　者：陈甜 韩敏义[1,2] 郭雨晨 贾婧文 白云 冯宪超 徐幸莲[1] CHEN Tian;HAN Minyi;GUO Yuchen;JIA Jingwen;BAI Yun;FENG Xianchao;XU Xinglian(College of Food Science and Technology,Nanjing Agricultural University,National Meat Quality and Safety Control Engineering Technology Research Center,Nanjing 210095,China;Yunfu Branch Center of Lingnan Modern Agricultural Science and Technology Guangdong Provincial Laboratory,Yunfu 527400,China;College of Food Science and Technology,Northwest A&F University,Yangling 712100,China)

机构地区：[1]南京农业大学食品科技学院,国家肉品质量安全控制工程技术研究中心,南京210095 [2]岭南现代农业科学与技术广东省实验室云浮分中心,云浮527400 [3]西北农林科技大学食品科技学院,杨凌712100

出　　处：《农业工程学报》2025年第6期288-298,共11页Transactions of the Chinese Society of Agricultural Engineering

基　　金：云浮市2024年现代农业产业集群创新创业人才项目(YF2024NYRC01);国家自然科学基金项目(32472259)。

摘　　要：从分子层面上探索细胞膜的分子动力学行为和纳米通道的形成过程,可避免传统方法的局限性,该研究对不同电场强度(2、3、4kV/cm)处理下的牛肉腌制前后进行电阻抗参数分析,并设计了一种基于分子动力学的计算机模拟方案,评估脂双层在模拟过程中的密度分布、均方位移、径向分布函数及回转半径等。结果显示,随着电场强度的增加,样品的阻抗幅值减少,相位角增大,经NaCl腌制后,不同场强处理的样品之间的幅值和相位角的差异均缩小,添加4 kV/cm的电场,可以加速膜中脂双层分子的迁移,形成纳米通道,而8%NaCl不会破坏生理水平下细胞膜的结构,高盐体系中NaCl更倾向于通过纳米通道。结果表明,脉冲电场处理会破坏细胞膜的完整性,且其遭到破坏的程度与电场强度有关,高盐体系下NaCl对稳定穿孔的结构起到积极作用。研究结果为优化肉品腌制工艺、设计细胞膜结构在电场作用下的纳米通道等提供参考。Molecular dynamics can be one of the most promising simulations at the molecular level.Traditional experiments can also be restricted to low controlling precision,in order to directly observe the dynamic changes.It is very necessary to accurately explore the cell membranes in the formation of nanochannels.In this study,an innovative framework was introduced to simulate the molecular dynamics of cell membranes and nanochannel formation using molecular dynamics.Two steps were set as the initial construction of a 3D structural model and subsequent dynamic simulation.The real structure and composition of the cell membrane were considered for the closely resembled construction of the 3D model.The impedance parameters of samples were determined under various processing.The impedance amplitude and phase angle were selected as the indicators of electrical impedance.The 3D structural model was constructed to sensitively reflect the structure and function of the cell membrane.Furthermore,15 frequency points were identified in the range of 0.05 to 300 kHz during measurement.A broad spectrum was spanned from the low to the high frequencies.The impedance amplitude and phase angle of meat samples were assessed before and after treatment.Comparative analysis revealed that the varying processing was significantly impacted on the integrity of the cell membrane.The evidence was from the changes in the impedance amplitude and phase angle.A 10 nm×10 nm×10 nm lipid bilayer structure model was constructed to further validate.The actual structure of the cell membrane was extracted to perform the molecular dynamics simulation.The overall structure of the lipid bilayer was evaluated during the simulation,including the density distribution,mean square displacement,and radial distribution function.The results indicated that the impedance amplitude of the sample decreased with the increasing electric field strength within experimental conditions,while the phase angle increased gradually.A stable configuration was maintained in the lipopol

关 键 词：脉冲电场 牛肉腌制 分子动力学模拟 电阻抗 纳米通道 

分 类 号：S8-05[农业科学—畜牧兽医]