Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane

被引:5
作者
Bowman, Clark [1 ]
Chaplain, Mark [2 ]
Matzavinos, Anastasios [1 ]
机构
[1] Brown Univ, Div Appl Math, Providence, RI 02912 USA
[2] Univ St Andrews, Sch Math & Stat, St Andrews KY16 9SS, Fife, Scotland
来源
ROYAL SOCIETY OPEN SCIENCE | 2019年 / 6卷 / 03期
基金
英国工程与自然科学研究理事会;
关键词
dissipative particle dynamics; lipid membranes; computational simulation; MOLECULAR-DYNAMICS; ENERGY;
D O I
10.1098/rsos.181657
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
We investigate with computer simulations the critical radius of pores in a lipid bilayer membrane. Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett. 117, 257801 (doi:10.1103/PhysRevLett.117.257801)) recently showed that nucleated pores in a homopolymer film can increase or decrease in size, depending on whether they are larger or smaller than a critical size which scales linearly with film thickness. Using dissipative particle dynamics, a particle-based simulation method, we investigate the same scenario for a lipid bilayer membrane whose structure is determined by lipid-water interactions. We simulate a perforated membrane in which holes larger than a critical radius grow, while holes smaller than the critical radius close, as in the experiment of Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett. 117, 257801 (doi:10.1103/PhysRevLett.117.257801)). By altering key system parameters such as the number of particles per lipid and the periodicity, we also describe scenarios in which pores of any initial size can seal or even remain stable, showing a fundamental difference in the behaviour of lipid membranes from polymer films.
引用
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页数:9
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