| Literature DB >> 25648559 |
Marco Dallavalle1, Matteo Calvaresi, Andrea Bottoni, Manuel Melle-Franco, Francesco Zerbetto.
Abstract
Molecular dynamics--coarse grained to the level of hydrophobic and hydrophilic interactions--shows that small hydrophobic graphene sheets pierce through the phospholipid membrane and navigate the double layer, intermediate size sheets pierce the membrane only if a suitable geometric orientation is met, and larger sheets lie mainly flat on the top of the bilayer where they wreak havoc with the membrane and create a patch of upturned phospholipids. The effect arises in order to maximize the interaction between hydrophobic moieties and is quantitatively explained in terms of flip-flops by the analysis of the simulations. Possible severe biological consequences are discussed.Entities:
Keywords: dissipative particle dynamics; flip-flop; graphene; membrane; nanotoxicity
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Year: 2015 PMID: 25648559 DOI: 10.1021/am508938u
Source DB: PubMed Journal: ACS Appl Mater Interfaces ISSN: 1944-8244 Impact factor: 9.229