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	Structural Characterization on the Gel to Liquid-Crystal Phase Transition of Fully Hydrated DSPC and DSPE Bilayers
	Qin, Shan-Shan ; Yu, Zhi-Wu ; Yu, Yang-Xin
	2010-10-12 ; 2010-10-12
关键词	MOLECULAR-DYNAMICS SIMULATION COARSE-GRAINED MODEL PARTICLE MESH EWALD LIPID-BILAYERS DIPALMITOYL PHOSPHATIDYLCHOLINE SOFT MATERIALS MEMBRANE INTERFACE WATER DIPALMITOYLPHOSPHATIDYLCHOLINE Chemistry, Physical
中文摘要	The structural properties of fully hydrated distearoylphosphatidylcholine (DSPC) and distearoylphosphatidylethanolamine (DSPE) bilayers near the main phase transition were investigated using molecular dynamics simulations on the basis of a united-atom model. Although largely similar in their molecular structures, the two lipids were found with different molecular packing modes at temperatures below the phase transition. For DSPC, three packing modes, namely, cross-tilt, partially interdigitated, and "mixed" gel phases, were observed, while, for DSPE, the lipid tails were almost perpendicular to the lipid surface. Above the main transition temperature, both lipid bilayers transformed into a disordered liquid-crystal phase with marked greater area per lipid and gauche % of the acyl chains and smaller bilayer thickness and order parameter, in comparison with the gel phase. The transformation process of liquid-crystal to gel phase was proved to experience the nucleation and growth stages in a hexagonal manner. The electron density profiles of some major components of both lipid bilayers at various temperatures have been calculated, and the results reveal that both lipid bilayers have less interdigitation around the main transition temperature.
语种	英语 ; 英语
出版者	AMER CHEMICAL SOC ; WASHINGTON ; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
内容类型	期刊论文
源URL	[http://hdl.handle.net/123456789/81019]
专题	清华大学
推荐引用方式 GB/T 7714	Qin, Shan-Shan,Yu, Zhi-Wu,Yu, Yang-Xin. Structural Characterization on the Gel to Liquid-Crystal Phase Transition of Fully Hydrated DSPC and DSPE Bilayers[J],2010, 2010.
APA	Qin, Shan-Shan,Yu, Zhi-Wu,&Yu, Yang-Xin.(2010).Structural Characterization on the Gel to Liquid-Crystal Phase Transition of Fully Hydrated DSPC and DSPE Bilayers..
MLA	Qin, Shan-Shan,et al."Structural Characterization on the Gel to Liquid-Crystal Phase Transition of Fully Hydrated DSPC and DSPE Bilayers".(2010).

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