Cation-containing lipid membranes – experiment and md simulations

N. Kučerka; E. Dushanov; Kt. Kholmurodov; J. Katsaras; D. Uhríková

doi:10.1515/afpuc-2016-0018

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Cation-containing lipid membranes – experiment and md simulations

European Pharmaceutical Journal

Volume 64 (2017): Issue 2 (November 2017)

By: N. Kučerka, E. Dushanov, Kt. Kholmurodov, J. Katsaras and D. Uhríková

Open Access

|Nov 2017

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.

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Articles in this issue

DOI: https://doi.org/10.1515/afpuc-2016-0018 | Journal eISSN: 2453-6725

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Language: English

Page range: 9 - 14

Submitted on: Sep 15, 2016

Accepted on: Nov 7, 2016

Published on: Nov 30, 2017

Published by: Comenius University in Bratislava, Faculty of Pharmacy

In partnership with: Paradigm Publishing Services

Publication frequency: 2 issues per year

Keywords:

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

Related subjects:

Pharmacy,

Pharmacy, other

© 2017 N. Kučerka, E. Dushanov, Kt. Kholmurodov, J. Katsaras, D. Uhríková, published by Comenius University in Bratislava, Faculty of Pharmacy
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Volume 64 (2017): Issue 2 (November 2017)