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Under the influence of alcohol: The effect of ethanol and methanol on lipid bilayers

Patra, Michael LU ; Salonen, E ; Terama, E ; Vattulainen, I ; Faller, R ; Lee, BW ; Holopainen, J and Karttunen, M (2006) In Biophysical Journal 90(4). p.1121-1135
Abstract
Extensive microscopic molecular dynamics simulations have been performed to study the effects of short-chain alcohols, methanol and ethanol, on two different fully hydrated lipid bilayer systems (POPC and DPPC) in the fluid phase at 323 K. It is found that ethanol has a stronger effect on the structural properties of the membranes. In particular, the bilayers become more fluid and permeable: ethanol molecules are able to penetrate through the membrane in typical timescales of similar to 200 ns, whereas for methanol that timescale is considerably longer, at least of the order of microseconds. A closer examination exposes a number of effects due to ethanol. Hydrogen-bonding analysis reveals that a large fraction of ethanols is involved in... (More)
Extensive microscopic molecular dynamics simulations have been performed to study the effects of short-chain alcohols, methanol and ethanol, on two different fully hydrated lipid bilayer systems (POPC and DPPC) in the fluid phase at 323 K. It is found that ethanol has a stronger effect on the structural properties of the membranes. In particular, the bilayers become more fluid and permeable: ethanol molecules are able to penetrate through the membrane in typical timescales of similar to 200 ns, whereas for methanol that timescale is considerably longer, at least of the order of microseconds. A closer examination exposes a number of effects due to ethanol. Hydrogen-bonding analysis reveals that a large fraction of ethanols is involved in hydrogen bonds with lipids. This in turn is intimately coupled to the ordering of hydrocarbon chains: we find that binding to an ethanol decreases the order of the chains. We have also determined the dependence of lipid-chain ordering on ethanol concentration and found that to be nonmonotonous. Overall, we find good agreement with NMR and micropipette studies. (Less)
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author
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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Biophysical Journal
volume
90
issue
4
pages
1121 - 1135
publisher
Cell Press
external identifiers
  • wos:000235004200005
  • pmid:16326895
  • scopus:33645788097
  • pmid:16326895
ISSN
1542-0086
DOI
10.1529/biophysj.105.062364
language
English
LU publication?
yes
id
125509a4-d8bb-4ee6-b439-efd5c3d84c61 (old id 419544)
date added to LUP
2016-04-01 12:23:57
date last changed
2020-10-07 02:32:06
@article{125509a4-d8bb-4ee6-b439-efd5c3d84c61,
  abstract     = {Extensive microscopic molecular dynamics simulations have been performed to study the effects of short-chain alcohols, methanol and ethanol, on two different fully hydrated lipid bilayer systems (POPC and DPPC) in the fluid phase at 323 K. It is found that ethanol has a stronger effect on the structural properties of the membranes. In particular, the bilayers become more fluid and permeable: ethanol molecules are able to penetrate through the membrane in typical timescales of similar to 200 ns, whereas for methanol that timescale is considerably longer, at least of the order of microseconds. A closer examination exposes a number of effects due to ethanol. Hydrogen-bonding analysis reveals that a large fraction of ethanols is involved in hydrogen bonds with lipids. This in turn is intimately coupled to the ordering of hydrocarbon chains: we find that binding to an ethanol decreases the order of the chains. We have also determined the dependence of lipid-chain ordering on ethanol concentration and found that to be nonmonotonous. Overall, we find good agreement with NMR and micropipette studies.},
  author       = {Patra, Michael and Salonen, E and Terama, E and Vattulainen, I and Faller, R and Lee, BW and Holopainen, J and Karttunen, M},
  issn         = {1542-0086},
  language     = {eng},
  number       = {4},
  pages        = {1121--1135},
  publisher    = {Cell Press},
  series       = {Biophysical Journal},
  title        = {Under the influence of alcohol: The effect of ethanol and methanol on lipid bilayers},
  url          = {http://dx.doi.org/10.1529/biophysj.105.062364},
  doi          = {10.1529/biophysj.105.062364},
  volume       = {90},
  year         = {2006},
}