Cation-containing lipid membranes - Experiment and md simulations

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

doi:10.1515/afpuc-2016-0018

Cation-containing lipid membranes - Experiment and md simulations

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

Labs & Soft Matter

Research output: Contribution to journal › Article › peer-review

4 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 language	English
Pages (from-to)	9-14
Number of pages	6
Journal	European Pharmaceutical Journal
Volume	64
Issue number	2
DOIs	https://doi.org/10.1515/afpuc-2016-0018
State	Published - Nov 27 2017

Keywords

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

Access to Document

10.1515/afpuc-2016-0018

Cite this

@article{b43cf54b97c7411c8c969434966ca500,

title = "Cation-containing lipid membranes - Experiment and md simulations",

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.",

keywords = "Lipid bilayer, MD simulations, Metal ions, Simulation-To-experiment analysis, Small angle neutron diffraction",

author = "N. Ku{\v c}erka and E. Dushanov and Kholmurodov, \{K. T.\} and J. Katsaras and D. Uhrikova",

year = "2017",

month = nov,

day = "27",

doi = "10.1515/afpuc-2016-0018",

language = "English",

volume = "64",

pages = "9--14",

journal = "European Pharmaceutical Journal",

issn = "2453-6725",

publisher = "Sciendo",

number = "2",

}

TY - JOUR

T1 - Cation-containing lipid membranes - Experiment and md simulations

AU - Kučerka, N.

AU - Dushanov, E.

AU - Kholmurodov, K. T.

AU - Katsaras, J.

AU - Uhrikova, D.

PY - 2017/11/27

Y1 - 2017/11/27

N2 - 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.

AB - 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.

KW - Lipid bilayer

KW - MD simulations

KW - Metal ions

KW - Simulation-To-experiment analysis

KW - Small angle neutron diffraction

UR - https://www.scopus.com/pages/publications/85038364611

U2 - 10.1515/afpuc-2016-0018

DO - 10.1515/afpuc-2016-0018

M3 - Article

AN - SCOPUS:85038364611

SN - 2453-6725

VL - 64

SP - 9

EP - 14

JO - European Pharmaceutical Journal

JF - European Pharmaceutical Journal

IS - 2

ER -

Cation-containing lipid membranes - Experiment and md simulations

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this