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Title: Cation-containing lipid membranes – experiment and md simulations

Abstract

Here, using small angle neutron diffraction and molecular dynamics simulations we studied the interactions between calcium (Ca 2+) or zinc (Zn 2+) 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.

Authors:
 [1];  [2];  [3]; ORCiD logo [4];  [5]
  1. Comenius Univ., Bratislava (Slovakia). Dept. of Physical Chemistry of Drugs; Frank Lab. of Neutron Physics, Dubna (Russia)
  2. Joint Inst. for Nuclear Research (JINR), Dubna (Russian Federation). Lab. of Radiation Biology
  3. Frank Lab. of Neutron Physics, Dubna (Russia); Dubna State Univ., Dubna (Russia)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Shull Wollan Center: A Joint Inst. for Neutron Sciences
  5. Comenius Univ., Bratislava (Slovakia). Dept. of Physical Chemistry of Drugs
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1423100
Grant/Contract Number:
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
European Pharmaceutical Journal
Additional Journal Information:
Journal Volume: 64; Journal Issue: 2; Journal ID: ISSN 2453-6725
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; Lipid bilayer; metal ions; small angle neutron diffraction; MD simulations; simulation-to-experiment analysis

Citation Formats

Kučerka, Norbert, Dushanov, Ermuhammas, Kholmurodov, Kholmirzo T., Katsaras, John, and Uhríková, Daniela. Cation-containing lipid membranes – experiment and md simulations. United States: N. p., 2017. Web. doi:10.1515/afpuc-2016-0018.
Kučerka, Norbert, Dushanov, Ermuhammas, Kholmurodov, Kholmirzo T., Katsaras, John, & Uhríková, Daniela. Cation-containing lipid membranes – experiment and md simulations. United States. doi:10.1515/afpuc-2016-0018.
Kučerka, Norbert, Dushanov, Ermuhammas, Kholmurodov, Kholmirzo T., Katsaras, John, and Uhríková, Daniela. Mon . "Cation-containing lipid membranes – experiment and md simulations". United States. doi:10.1515/afpuc-2016-0018. https://www.osti.gov/servlets/purl/1423100.
@article{osti_1423100,
title = {Cation-containing lipid membranes – experiment and md simulations},
author = {Kučerka, Norbert and Dushanov, Ermuhammas and Kholmurodov, Kholmirzo T. and Katsaras, John and Uhríková, Daniela},
abstractNote = {Here, 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.},
doi = {10.1515/afpuc-2016-0018},
journal = {European Pharmaceutical Journal},
number = 2,
volume = 64,
place = {United States},
year = {Mon Nov 27 00:00:00 EST 2017},
month = {Mon Nov 27 00:00:00 EST 2017}
}

Journal Article:
Free Publicly Available Full Text
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