Molecular Dynamics Simulation Of Adhesion Forces In A Dipalmitoylphosphatidylcholine Membrane

CORC > 力学研究所 > 中国科学院力学研究所 > 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)
刊名	Surface Review And Letters
	2007
通讯作者邮箱	yzhao@imech.ac.cn
页码	671-675
关键词	Dipalmitoylphosphatidylcholine (Dppc) Molecular Dynamics Adhesion Forces Brownian Dynamics Temperature Bilayer
ISSN号	0218-625X
通讯作者	Zhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100080, Peoples R China.
中文摘要	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.
类目[WOS]	Chemistry, Physical ; Physics, Condensed Matter
研究领域[WOS]	Chemistry ; Physics
关键词[WOS]	TEMPERATURE ; BILAYER
收录类别	SCI
语种	英语
WOS记录号	WOS:000251387500026
公开日期	2009-08-03 ; 2009-09-14
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/25578]
专题	力学研究所_力学所知识产出(1956-2008)
推荐引用方式 GB/T 7714	Yin J,Zhao YP. Molecular Dynamics Simulation Of Adhesion Forces In A Dipalmitoylphosphatidylcholine Membrane[J]. Surface Review And Letters,2007:671-675.
APA	尹俊,&赵亚溥.(2007).Molecular Dynamics Simulation Of Adhesion Forces In A Dipalmitoylphosphatidylcholine Membrane.Surface Review And Letters,671-675.
MLA	尹俊,et al."Molecular Dynamics Simulation Of Adhesion Forces In A Dipalmitoylphosphatidylcholine Membrane".Surface Review And Letters (2007):671-675.