Insertion Mechanism and Stability of Boron Nitride Nanotubes in Lipid Bilayers

被引：31
|
作者：
Thomas, Michael [1 ,2 ,3 ]
Enciso, Marta [2 ]
Hilder, Tamsyn A. [1 ]
机构：
[1] Australian Natl Univ, Res Sch Biol, Computat Biophys Grp, Canberra, ACT 0200, Australia
[2] La Trobe Univ, Fac Sci Technol & Engn, Sch Mol Sci, La Trobe Inst Mol Sci,Dept Chem,Mol Modelling Grp, Melbourne, Vic 3086, Australia
[3] Life Sci Computat Ctr, Victorian Life Sci Computat Initiat, Carlton, Vic 3010, Australia
来源：
JOURNAL OF PHYSICAL CHEMISTRY B | 2015年 / 119卷 / 15期
基金：
澳大利亚研究理事会;
关键词：
WALLED CARBON NANOTUBES; MOLECULAR-DYNAMICS; CELL-MEMBRANES; IN-VIVO; PROTEINS; CYTOCOMPATIBILITY; TRANSPORTERS; PERMEATION; PRISTINE; DESIGN;
D O I：
10.1021/acs.jpcb.5b00102
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We provide insight into the interaction of boron nitride nanotubes (BNNTs) with cell membranes to better understand their improved biocompatibility compared to carbon nanotubes (CNTs). Contrary to CNTs, no computational studies exist investigating the insertion mechanism and stability of BNNTs in membranes. Our molecular dynamics simulations demonstrate that BNNTs are spontaneously attracted to lipid bilayers and are stable once inserted. They insert via a lipid-mediated, passive insertion mechanism. BNNTs demonstrate similar characteristics to more biocompatible functionalized CNTs.
引用
收藏
页码：4929 / 4936
页数：8
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