title: Insertion mechanism and stability of boron nitride nanotubes in lipid bilayers.
abstract: 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.
authors: †Computational Biophysics Group, Research School of Biology, Australian National University, Canberra, ACT 0200, Australia.|‡Molecular Modelling Group, Faculty of Science, Technology and Engineering, School of Molecular Sciences, Department of Chemistry, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, VIC 3086, Australia.|§Life Science Computation Centre, Victorian Life Sciences Computation Initiative, Carlton, VIC 3010, Australia.
authors: Michael
authors: M
authors: Thomas
authors: ‡Molecular Modelling Group, Faculty of Science, Technology and Engineering, School of Molecular Sciences, Department of Chemistry, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, VIC 3086, Australia.
authors: Marta
authors: M
authors: Enciso
authors: †Computational Biophysics Group, Research School of Biology, Australian National University, Canberra, ACT 0200, Australia.
authors: Tamsyn A
authors: TA
authors: Hilder
mesh_terms: D001672:Biocompatible Materials / Q000737:chemistry; D001896:Boron Compounds / Q000737:chemistry*; D008051:Lipid Bilayers / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D043942:Nanotubes / Q000737:chemistry*; D037742:Nanotubes, Carbon / Q000737:chemistry; D014867:Water / Q000737:chemistry
chemical_list: D001672:Biocompatible Materials; D001896:Boron Compounds; D008051:Lipid Bilayers; D037742:Nanotubes, Carbon; D014867:Water; C017282:boron nitride