Dissipative particle dynamics simulation study of the bilayer-vesicle transition
文献类型：期刊论文
| 作者 | Wu ShaoGui; Guo HongXia |
| 刊名 | SCIENCE IN CHINA SERIES B-CHEMISTRY
 |
| 出版日期 | 2008-08-01 |
| 卷号 | 51期号:8页码:743-750 |
| 关键词 | Vesicle Dissipative Particle Dynamics Lipid |
| ISSN号 | 1006-9291 |
| DOI | 10.1007/s11426-008-0077-5 |
| 英文摘要 | A bilayer structure is an important immediate for the vesicle formation. However, the mechanism for the bilayer-vesicle transition remains unclear. In this work, a dissipative particle dynamics (DPD) simulation method was employed to study the mechanism of the bilayer-vesicle transition. A coarse-grained model was built based on a lipid molecule termed dimyristoylphosphatidylcholine (DMPC). Simulations were performed from two different initial configurations: a random dispersed solution and a tensionless bilayer. It was found that the bilayer-vesicle transition was driven by the minimization of the water-tail hydrophobic interaction energy, and was accompanied with the increase of the position entropy due to the redistribution of water molecules. The bulk pressure was reduced during the bilayer-vesicle transition, suggesting the evolved vesicle morphology was at the relatively low free energy state. The membrane in the product vesicle was a two-dimensional fluid. It can be concluded that the membrane of a vesicle is not interdigitated and most of the bonds in lipid chains are inclined to orient along the radical axis of the vesicle. |
| 语种 | 英语 |
| WOS记录号 | WOS:000257751300006 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/64161]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Guo HongXia |
| 作者单位 | Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, Joint Lab Polymer Sci & Mat,State Key Lab Polymer, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wu ShaoGui,Guo HongXia. Dissipative particle dynamics simulation study of the bilayer-vesicle transition[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,2008,51(8):743-750. |
| APA | Wu ShaoGui,&Guo HongXia.(2008).Dissipative particle dynamics simulation study of the bilayer-vesicle transition.SCIENCE IN CHINA SERIES B-CHEMISTRY,51(8),743-750. |
| MLA | Wu ShaoGui,et al."Dissipative particle dynamics simulation study of the bilayer-vesicle transition".SCIENCE IN CHINA SERIES B-CHEMISTRY 51.8(2008):743-750. |
入库方式： OAI收割
来源：化学研究所
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