Molecular dynamics study of the infiltration of lipid-wrapping C<sub>60</sub> and polyhydroxylated single-walled nanotubes into lipid bilayers

doi:10.1007/s11467-014-0440-2

Front. Phys.

2015, Vol. 10

Issue (2) : 181-190 https://doi.org/10.1007/s11467-014-0440-2

RESEARCH ARTICLE

Molecular dynamics study of the infiltration of lipid-wrapping C₆₀ and polyhydroxylated single-walled nanotubes into lipid bilayers

Guan-Xing Guo, Lei Zhang, Yong Zhang(

)

School of Physics and Engineering, Sun Yat-Sen University, Guangzhou 510275, China

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Abstract

Because of the many potential medical applications of nanoparticles, considerable research has been conducted on the interactions between nanoparticles and biomembranes. We employed coarsegrained molecular dynamics simulations to study the infiltration of lipid-wrapping C₆₀ and polyhydroxylated single-walled nanotubes. Diffusion coefficients and scaling factors are adopted to quantify the diffusivity of the biomembranes, and the rupture tension is used to measure the lateral strength of the lipid bilayer. According to our simulations, all wrapped nanoparticles, except those wrapped by dipalmitoyl-glycero-phosphoglycerol, can be inserted into the bilayers. Our simulations also reveal that the bilayers remain in free diffusion after the nanoparticle insertions while their diffusion coefficient can be altered significantly. The polyhydroxylated single-walled nanotubes lead to significant changes to the lateral strength of biomembranes and this effect depends on the quantity of the inserted nanoparticles. The simulations demonstrate the feasibility of using these methods to deliver nanoparticles while some suggestions are given for choosing the appropriate lipids for wrapping. The results also suggest that the functionalized nanoparticles could be applied in strengthening or weakening the lateral strength of biomembranes for specific purposes.

Keywords lipid bilayer carbon nanoparticle molecular dynamics

Issue Date: 13 March 2015

Cite this article:

Guan-Xing Guo,Lei Zhang,Yong Zhang. Molecular dynamics study of the infiltration of lipid-wrapping C₆₀ and polyhydroxylated single-walled nanotubes into lipid bilayers[J]. Front. Phys. , 2015, 10(2): 181-190.

URL:

https://academic.hep.com.cn/fop/EN/10.1007/s11467-014-0440-2
https://academic.hep.com.cn/fop/EN/Y2015/V10/I2/181

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