Molecular dynamics simulation of adhesion forces in a dipalmitoylphosphatidylcholine membrane
文献类型：会议论文
| 作者 | Yin J(尹俊); Zhao YP(赵亚溥) ; Zhao YP
|
| 出版日期 | 2007 |
| 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 |
| 通讯作者邮箱 | yzhao@imech.ac.cn |
| 关键词 | Dipalmitoylphosphatidylcholine (Dppc) Molecular Dynamics Adhesion Forces Brownian Dynamics Temperature Bilayer |
| 页码 | 671-675 |
| 通讯作者 | Zhao YP |
| 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. |
| 收录类别 | CPCI-S |
| 会议录 | Surface Review And Letters
 |
| 会议录出版者 | Singapore |
| 会议录出版地 | World Scientific Publ Co Pte Ltd |
| 语种 | 英语 |
| ISSN号 | 0218-625X |
| WOS记录号 | WOS:000251387500026 |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/25490]  |
| 专题 | 力学研究所_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]. 见:Asia-Pacific Conference on Surface Science and Engineering. Hong Kong, PEOPLES R CHINA. DEC 19-21, 2006. |
入库方式： OAI收割
来源：力学研究所
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