Molecular Mechanism of Ionic-Liquid-Induced Membrane Disruption: Morphological Changes to Bilayers, Multilayers, and Vesicles.

@article{Yoo2016MolecularMO,
  title={Molecular Mechanism of Ionic-Liquid-Induced Membrane Disruption: Morphological Changes to Bilayers, Multilayers, and Vesicles.},
  author={Brian Yoo and Yingxi Zhu and Edward J. Maginn},
  journal={Langmuir : the ACS journal of surfaces and colloids},
  year={2016},
  volume={32 21},
  pages={5403-11}
}
The application of ionic liquids (ILs) in many industrially relevant processes provides an urgent need to better understand their molecular interactions with biological systems. A detailed understanding of the cytotoxicity mechanism of ILs can be helpful in facilitating the molecular design of nontoxic ILs. Using coarse-grained molecular dynamics (MD) simulations, we investigate the effects of imidazolium-based ILs on several lipid bilayer morphologies. Our results demonstrate that the… CONTINUE READING
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