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231224s2016 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.6b00768
|2 doi
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|a eng
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|a Yoo, Brian
|e verfasserin
|4 aut
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|a Molecular Mechanism of Ionic-Liquid-Induced Membrane Disruption
|b Morphological Changes to Bilayers, Multilayers, and Vesicles
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|c 2016
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Completed 30.05.2018
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|a Date Revised 30.05.2018
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a 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 asymmetric insertion of IL cations into one side of a lipid bilayer leaflet enhances the leaflet strain, which upon reaching a critical value triggers a morphological disruption in the bilayer. Consistently, the bending modulus of the bilayer is reduced by 1 to 2 orders of magnitude relative to that of an IL-free planar bilayer prior to the disruption event. Our results suggest that ILs that can easily insert into the lipid bilayer without diffusing across or inducing lipid flip-flop can be more disruptive to a lipid biomembrane
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|a Journal Article
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|a Research Support, U.S. Gov't, Non-P.H.S.
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|a Zhu, Yingxi
|e verfasserin
|4 aut
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| 700 |
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|a Maginn, Edward J
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 32(2016), 21 vom: 31. Mai, Seite 5403-11
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|x 1520-5827
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| 773 |
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|g volume:32
|g year:2016
|g number:21
|g day:31
|g month:05
|g pages:5403-11
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|u http://dx.doi.org/10.1021/acs.langmuir.6b00768
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