Molecular Dynamics Study of Dipalmitoylphosphatidylcholine Lipid Layer Self-Assembly onto a Single-Walled Carbon Nanotube  

作　　者：Hongming Wang Servaas Michielssens Samuel L.C.Moors Arnout Ceulemans 

机构地区：[1]Laboratory of Quantum Chemistry,Department of Chemistry and INPAC Institute for Nanoscale Physics and Chemistry,Katholieke Universiteit Leuven,Belgium

出　　处：《Nano Research》2009年第12期945-954,共10页纳米研究（英文版）

基　　金：We thank the Flemish government for financial support through the Concerted Action Scheme.H.W.is indebted to INPAC for a postdoctoral grant.S.M.is the recipient of a doctoral grant from the Flemish Science Foundation(FWO).

摘　　要：Single-walled carbon nanotubes(SWNTs)are possible nano-injectors and delivery vehicles of molecular probes and drugs into cells.In order to explore the interaction between lipid membranes and carbon nanotubes,we investigate the binding mechanism of dipalmitoylphosphatidylcholine(DPPC)with SWNTs by molecular dynamics.In low concentration range simulations,the DPPC molecules form a supramolecular two-layered cylindrical structure wrapped around the carbon nanotube surface.The hydrophobic part of DPPC is adsorbed on the surface of the nanotube,and the hydrophilic top is oriented towards the aqueous phase.For higher concentration ranges,the DPPC molecules are found to form a supramolecular multi-layered structure wrapped around the carbon nanotube surface.At the saturation point a membrane-like structure is self-assembled with a width of 41.4Å,which is slightly larger than the width of a cell membrane.Our study sheds light on the existing confl icting simulation data on adsorption of single-chained phospholipids.

关 键 词：Cell membrane molecular dynamics carbon nanotubes SELF-ASSEMBLY nano-injector 

分 类 号：TB3[一般工业技术—材料科学与工程]