Effect of C60 nanoparticles on elasticity of small unilamellar vesicles composed of DPPC bilayers

doi:10.1088/1674-1056/ab7d9f

摘要/Abstract

摘要： The interaction between C₆₀ nanoparticles and biomembranes has been of great interest in researches over the past decades due to their novel applications as well as potential cytotoxicity. In this work, we study the deformation of the small unilamellar vesicles composed of dipalmitoylphosphatidylcholine (DPPC) lipid bilayers infiltrated with C₆₀ nanoparticles of different molecular concentrations through coarse-grained molecular dynamics simulations. By employing the Helfrich spontaneous curvature model, the bending modulus and the spontaneous curvature of the vesicles with C₆₀ nanoparticles of different concentrations are obtained according to the simulation data. The results show that the bending modulus and the spontaneous curvature of pure DPPC vesicle membranes are approximately 1.6×10^-19 J and 1.4 nm^-1, respectively. Both of them increase linearly approximately as the C₆₀ concentration increases from 0 to 16.3%. The density profiles of vesicles, the order of lipid packing and the diffusion characteristics of DPPC and C₆₀ are also investigated.

关键词: lipid vesicle, bending modulus, C₆₀ nanoparticles, spontaneous curvature

Abstract: The interaction between C₆₀ nanoparticles and biomembranes has been of great interest in researches over the past decades due to their novel applications as well as potential cytotoxicity. In this work, we study the deformation of the small unilamellar vesicles composed of dipalmitoylphosphatidylcholine (DPPC) lipid bilayers infiltrated with C₆₀ nanoparticles of different molecular concentrations through coarse-grained molecular dynamics simulations. By employing the Helfrich spontaneous curvature model, the bending modulus and the spontaneous curvature of the vesicles with C₆₀ nanoparticles of different concentrations are obtained according to the simulation data. The results show that the bending modulus and the spontaneous curvature of pure DPPC vesicle membranes are approximately 1.6×10^-19 J and 1.4 nm^-1, respectively. Both of them increase linearly approximately as the C₆₀ concentration increases from 0 to 16.3%. The density profiles of vesicles, the order of lipid packing and the diffusion characteristics of DPPC and C₆₀ are also investigated.

Key words: lipid vesicle, bending modulus, C₆₀ nanoparticles, spontaneous curvature

中图分类号: (Molecular dynamics simulation)

87.15.ap

87.16.D- (Membranes, bilayers, and vesicles) 87.15.La (Mechanical properties) 87.10.Pq (Elasticity theory)

魏坦琳, 张蕾, 张勇. Effect of C₆₀ nanoparticles on elasticity of small unilamellar vesicles composed of DPPC bilayers[J]. 中国物理B, 2020, 29(4): 48702-048702.

Tanlin Wei(魏坦琳), Lei Zhang(张蕾), Yong Zhang(张勇). Effect of C₆₀ nanoparticles on elasticity of small unilamellar vesicles composed of DPPC bilayers[J]. Chin. Phys. B, 2020, 29(4): 48702-048702.

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Effect of C₆₀ nanoparticles on elasticity of small unilamellar vesicles composed of DPPC bilayers

Effect of C₆₀ nanoparticles on elasticity of small unilamellar vesicles composed of DPPC bilayers

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