<abstract xmlns="http://www.w3.org/1999/xhtml"> 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.</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.

Cation-containing lipid membranes – experiment and md simulations

European Pharmaceutical Journal

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

{"article-title":"Cation-containing lipid membranes \u2013 experiment and md simulations"}

Using small angle neutron diffraction and molecular dynamics simulations we studied the interactions between calcium (Ca2+) or zinc (Zn2+) cations, and...

Cation-containing lipid membranes – experiment and md simulations

Published Online: Nov 30, 2017

Page range: 9 - 14

Received: Sep 15, 2016

Accepted: Nov 07, 2016

DOI: https://doi.org/10.1515/afpuc-2016-0018

Keywords
Lipid bilayer - metal ions - small angle neutron diffraction - MD simulations - simulation-to-experiment analysis

© by N. Kučerka

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Cation-containing lipid membranes – experiment and md simulations

Published Online: Nov 30, 2017

Page range: 9 - 14

Received: Sep 15, 2016

Accepted: Nov 07, 2016

DOI: https://doi.org/10.1515/afpuc-2016-0018

KeywordsLipid bilayer - metal ions - small angle neutron diffraction - MD simulations - simulation-to-experiment analysis

© by N. Kučerka

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Keywords
Lipid bilayer - metal ions - small angle neutron diffraction - MD simulations - simulation-to-experiment analysis