化工学报Issue(2)：641-647,7.DOI:10.11949/j.issn.0438-1157.20151147
动态表面张力破裂磷脂膜的分子动力学模拟
Molecular dynamics simulation of rupture of lipid bilayer under dynamic surface tension
摘要
Abstract
The biocompatible nature of lipid bilayer makes it appealing for wide applications including biosensor, biomimetic membrane for separation or reaction. Understanding lipid bilayer rupture is of fundamental importance for the design and application of lipid bilayer based devices. In the present study, a lipid bilayer membrane made by dipalmitoyl phosphatidylcholine (DPPC) and dipalmitoyl phosphoglycerol (DPPG) was used for the molecular dynamics simulation of the lipid bilayer rupture. A method for determining the rupture time and the critical surface tension was proposed, based on which, the effects of lipid bilayer composition on the lipid bilayer rupture were examined. It was shown that an increase in the negatively charged DPPG in the lipid bilayer postponed the rupture time, indicating a strengthened structural stability. On the other hand, the widened distribution of the rupture time indicated the heterogeneous nature of the lipid bilayer. A dynamic microscopic opposing forces model was proposed to describe the above mentioned lipid bilayer rupture under an unsteady surface tension. The model had reproduced the simulation results and thus offered theoretical tools for the design and optimization of the lipid bilayer based devices and processes.关键词
DPPC/DPPG磷脂双层膜/分子模拟/磷脂膜破裂/表面张力/动力学理论Key words
DPPC/DPPG lipid bilayer membrane/molecular simulation/lipid bilayer rupture/surface tension/kinetic theory分类
化学化工引用本文复制引用
孔宪,胡晓宇,卢滇楠,刘铮..动态表面张力破裂磷脂膜的分子动力学模拟[J].化工学报,2016,(2):641-647,7.基金项目
国家自然科学基金项目（21276138）；化学工程重点实验室基金项目（SKL-CHE-10A01）。@@@@supported by the National Natural Science Foundation of China (21276138) and the State Key Laboratory of Chemical Engineering (SKL-CHE-10A01) （21276138）
