title: Interaction of Boron Nitride Nanosheets with Model Cell Membranes.
abstract: Boron nitride nanomaterials have attracted attention for biomedical applications, due to their improved biocompatibility when compared with carbon nanomaterials. Recently, graphene and graphene oxide nanosheets have been shown, both experimentally and computationally, to destructively extract phospholipids from Escherichia coli. Boron nitride nanosheets (BNNSs) have exciting potential biological and environmental applications, for example the ability to remove oil from water. These applications are likely to increase the exposure of prokaryotes and eukaryotes to BNNSs. Yet, despite their promise, the interaction between BNNSs and cell membranes has not yet been investigated. Here, all-atom molecular dynamics simulations were used to demonstrate that BNNSs are spontaneously attracted to the polar headgroups of the lipid bilayer. The BNNSs do not passively cross the lipid bilayer, most likely due to the large forces experienced by the BNNSs. This study provides insight into the interaction of BNNSs with cell membranes and may aid our understanding of their improved biocompatibility.
authors.affiliation: Computational Biophysics Group, Research School of Biology, Australian National University, Canberra, ACT, 0200, Australia. tamsyn.hilder@anu.edu.au.
authors.forename: Tamsyn A
authors.initials: TA
authors.lastname: Hilder
authors.affiliation: MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington, 6140, New Zealand.|Department of Physics, University of Auckland, Auckland, 1142, New Zealand.
authors.forename: Nicola
authors.initials: N
authors.lastname: Gaston
mesh_terms: D001896:Boron Compounds / Q000737:chemistry*; D002462:Cell Membrane / Q000737:chemistry*; D004926:Escherichia coli / Q000737:chemistry* / Q000166:cytology; D008954:Models, Biological; D056004:Molecular Dynamics Simulation; D049329:Nanostructures / Q000737:chemistry*
chemical_list: D001896:Boron Compounds; C017282:boron nitride
keywords: boron nitride nanosheets; density functional calculations; interaction forces; lipid bilayers; molecular dynamics