Fluorination effects on structure and dynamics of phospholipid bilayer: A molecular dynamics study

Hiroaki Saito, Wataru Shinoda, Masuhiro Mikami

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)

Abstract

Comparative molecular dynamics calculations of the fluorinated and the non-fluorinated phospholipid bilayers have been carried out to examine the fluorination effects on hydration structure and lipid dynamics. The fluorination of hydrophobic chain causes an increase of hydration in the headgroup, which reorients toward the bilayer normal. Largely restricted wobbling and lateral diffusional motions were observed in the fluorinated lipid bilayer, which would be attributed to the chain stiffness of fluorinated lipids and the tight chain packing in the membrane core. The lateral diffusion coefficients obtained from these calculations show a good agreement with the experimental results.

Original languageEnglish
Pages (from-to)260-263
Number of pages4
JournalChemical Physics Letters
Volume468
Issue number4-6
DOIs
Publication statusPublished - Jan 22 2009
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Fingerprint

Dive into the research topics of 'Fluorination effects on structure and dynamics of phospholipid bilayer: A molecular dynamics study'. Together they form a unique fingerprint.

Cite this