Molecular dynamics simulation of adhesion forces in a dipalmitoylphosphatidylcholine membrane

IMECH-IR > 力学所知识产出(1956-2008)

	Molecular dynamics simulation of adhesion forces in a dipalmitoylphosphatidylcholine membrane
	Yin J(尹俊); Zhao YP(赵亚溥); Zhao YP
会议录名称	Surface Review And Letters
	2007
页码	671-675
会议名称	Asia-Pacific Conference on Surface Science and Engineering
会议日期	DEC 19-21, 2006
会议地点	Hong Kong, PEOPLES R CHINA
摘要	Adhesion forces of Dipalmitoylphosphatidylcholine ( DPPC) membrane in the gel phase are investigated by molecular dynamics ( MD) simulation. In the simulations, individual DPPC molecules are pulled out of DPPC membranes with different rates and we get the maximum adhesion forces of DPPC membrane. We find that the maximum adhesion forces increase with pull rate, from about 400 to 700 pN when pull rates are from 0.001 to 0.03 nm/ps. We analyze the relationship between pull rate and adhesion forces of different origins using Brownian dynamics and notice that viscosity of solvent plays an important role in adhesion forces. Then we simulate the motion of a single DPPC molecule in solvent and it elucidates that the maximum drag force is almost linear with respect to the pull rate. We use Stokes' relation to describe the motion of a single DPPC molecule and deduce the effective length of a DPPC molecule. Conformational analyses indicate that the free energy variation of a DPPC molecule inside and outside of the DPPC membrane is an essential part of adhesion energy.
关键词	Dipalmitoylphosphatidylcholine (Dppc) Molecular Dynamics Adhesion Forces Brownian Dynamics Temperature Bilayer
WOS记录号	WOS:000251387500026
收录类别	CPCI-S
语种	英语
引用统计	被引频次：5[WOS] [WOS记录] [WOS相关记录]
文献类型	会议论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/25490
专题	力学所知识产出(1956-2008)
通讯作者	Zhao YP
推荐引用方式 GB/T 7714	Yin J,Zhao YP,Zhao YP. Molecular dynamics simulation of adhesion forces in a dipalmitoylphosphatidylcholine membrane[C]Surface Review And Letters,2007:671-675.

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