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中文摘要：
为探讨ns脉冲电场诱导细胞器膜产生电穿孔的机理,采用分子动力学软件从原子水平上分析了ns脉冲电场作用下细胞脂双层膜电穿孔形成及其孔径随时间变化的过程,研究了电穿孔形成的机理。结果表明,脂质分子的偶极子在脉冲电场作用下的振动和转动导致脂双层膜出现初始缺损并诱导脂双层膜电穿孔;电穿孔初期的多微孔间存在耦合关系;在4～5 ns内电穿孔形成并达到动态稳定。结果与细胞脂双层膜的粗粒化模型计算吻合较好,为电穿孔技术在生物医学等方面的应用提供了理论指导。
英文摘要：
Cell membrane bilayers were simulated by molecular dynamics to probe mechanism of electroporation induced by intense nanosecond pulse electric field.The process of electroporation and its pore size in lipid bilayers were analyzed from the atomic level,and the mechanism of electroporation formation was also analyzed.Results reveal that the initial defect formation on the surface of the membrane was induced by swing and rotation of dipoles at the lipid molecules which were subjected to nanosecond,high intensity pulsed electric field.Electroporation formation in lipid bilayers is induced by dipoles reorientation.There is a mutual coupling among multiple pores.Electroporation is formed within 4~5 ns and maintains dynamic stability.The results agree with coarse-grained lipid molecules model simulation,providing theoretical guidance to biomedical applications.
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