title: Computer simulation study of nanoparticle interaction with a lipid membrane under mechanical stress.
abstract: Pore formation of lipid bilayers under mechanical stress is critical to biological processes. A series of coarse grained molecular dynamics simulations of lipid bilayers with carbon nanoparticles different in size have been performed. Surface tension was applied to study the disruption of lipid bilayers by nanoparticles and the formation of pores inside the bilayers. The presence of small nanoparticles enhances the probability of water penetration thus decreasing the membrane rupture tension, while big nanoparticles have the opposite effect. Nanoparticle volume affects bilayer strength indirectly, and particle surface density can complicate the interaction. The structural, dynamic, elastic properties and lateral densities of lipid bilayers with nanoparticles under mechanical stress were analyzed. The results demonstrate the ability of nanoparticles to adjust the structural and dynamic properties of a lipid membrane, and to efficiently regulate the pore formation behavior and hydrophobicity of membranes.
authors.affiliation: School of Physics and Engineering, Sun Yat-Sen University, Guangzhou, China.
authors.forename: Kan
authors.initials: K
authors.lastname: Lai
authors.forename: Biao
authors.initials: B
authors.lastname: Wang
authors.forename: Yong
authors.initials: Y
authors.lastname: Zhang
authors.forename: Yue
authors.initials: Y
authors.lastname: Zheng
mesh_terms: D002244:Carbon / Q000737:chemistry*; D008051:Lipid Bilayers / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D053758:Nanoparticles / Q000737:chemistry* / Q000648:ultrastructure; D010316:Particle Size; D013314:Stress, Mechanical; D013500:Surface Tension; D014867:Water / Q000737:chemistry
chemical_list: D008051:Lipid Bilayers; D014867:Water; D002244:Carbon