Cation-containing lipid membranes - Experiment and md simulations

N. Kučerka, E. Dushanov, K. T. Kholmurodov, J. Katsaras, D. Uhrikova

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

Using small angle neutron diffraction and molecular dynamics simulations we studied the interactions between calcium (Ca2+) or zinc (Zn2+) cations, and oriented gel phase dipalmitoyl-phosphatidylcholine (DPPC) bilayers. For both cations studied at 1:7 divalent metal ion to lipid molar ratio (Me2+:DPPC), bilayer thickness increased. Simulation results helped reveal subtle differences in the effects of the two cations on gel phase membranes.

Original languageEnglish
Pages (from-to)9-14
Number of pages6
JournalEuropean Pharmaceutical Journal
Volume64
Issue number2
DOIs
StatePublished - Nov 27 2017

Keywords

  • Lipid bilayer
  • MD simulations
  • Metal ions
  • Simulation-To-experiment analysis
  • Small angle neutron diffraction

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