Diffusive nature of xenon anesthetic changes properties of a lipid bilayer: Molecular dynamics simulations

Eiji Yamamoto, Takuma Akimoto, Hiroyuki Shimizu, Yoshinori Hirano, Masato Yasui, Kenji Yasuoka

Research output: Contribution to journalArticle

42 Citations (Scopus)

Abstract

Effects of general anesthesia can be controllable by the ambient pressure. We perform molecular dynamics simulations for a 1-palmitoyl-2-oleoyl phosphatidylethanolamine lipid bilayer with or without xenon molecules by changing the pressure to elucidate the mechanism of the pressure reversal of general anesthesia. According to the diffusive nature of xenon molecules in the lipid bilayer, a decrease in the orientational order of the lipid tails, an increase in the area and volume per lipid molecule, and an increase in the diffusivity of lipid molecules are observed. We show that the properties of the lipid bilayer with xenon molecules at high pressure come close to those without xenon molecules at 0.1 MPa. Furthermore, we find that xenon molecules are concentrated in the middle of the lipid bilayer at high pressures by the pushing effect and that the diffusivity of xenon molecules is suppressed. These results suggest that the pressure reversal originates from a jamming and suppression of the diffusivity of xenon molecules in lipid bilayers.

Original languageEnglish
Pages (from-to)8989-8995
Number of pages7
JournalJournal of Physical Chemistry B
Volume116
Issue number30
DOIs
Publication statusPublished - 2012 Aug 2

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anesthetics
Anesthetics
Xenon
Lipid bilayers
xenon
lipids
Molecular dynamics
molecular dynamics
Molecules
Computer simulation
molecules
simulation
Lipids
diffusivity
anesthesia
jamming
pushing
Jamming
retarding

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Materials Chemistry
  • Surfaces, Coatings and Films

Cite this

Diffusive nature of xenon anesthetic changes properties of a lipid bilayer : Molecular dynamics simulations. / Yamamoto, Eiji; Akimoto, Takuma; Shimizu, Hiroyuki; Hirano, Yoshinori; Yasui, Masato; Yasuoka, Kenji.

In: Journal of Physical Chemistry B, Vol. 116, No. 30, 02.08.2012, p. 8989-8995.

Research output: Contribution to journalArticle

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