Open Access
Open access
Scientific Reports, volume 7, issue 1, publication number 12152

Pore formation in lipid membrane I: Continuous reversible trajectory from intact bilayer through hydrophobic defect to transversal pore

Akimov Sergey A 1, 2
Volynsky Pavel E 3
Galimzyanov Timur R 1, 2
Kuzmin Peter I 1
Pavlov Konstantin V 1, 4
Publication typeJournal Article
Publication date2017-09-22
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor4.6
ISSN20452322
Multidisciplinary
Abstract

Lipid membranes serve as effective barriers allowing cells to maintain internal composition differing from that of extracellular medium. Membrane permeation, both natural and artificial, can take place via appearance of transversal pores. The rearrangements of lipids leading to pore formation in the intact membrane are not yet understood in details. We applied continuum elasticity theory to obtain continuous trajectory of pore formation and closure, and analyzed molecular dynamics trajectories of pre-formed pore reseal. We hypothesized that a transversal pore is preceded by a hydrophobic defect: intermediate structure spanning through the membrane, the side walls of which are partially aligned by lipid tails. This prediction was confirmed by our molecular dynamics simulations. Conversion of the hydrophobic defect into the hydrophilic pore required surmounting some energy barrier. A metastable state was found for the hydrophilic pore at the radius of a few nanometers. The dependence of the energy on radius was approximately quadratic for hydrophobic defect and small hydrophilic pore, while for large radii it depended on the radius linearly. The pore energy related to its perimeter, line tension, thus depends of the pore radius. Calculated values of the line tension for large pores were in quantitative agreement with available experimental data.

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GOST Copy
Akimov S. A. et al. Pore formation in lipid membrane I: Continuous reversible trajectory from intact bilayer through hydrophobic defect to transversal pore // Scientific Reports. 2017. Vol. 7. No. 1. 12152
GOST all authors (up to 50) Copy
Akimov S. A., Volynsky P. E., Galimzyanov T. R., Kuzmin P. I., Pavlov K. V., Batishchev O. Pore formation in lipid membrane I: Continuous reversible trajectory from intact bilayer through hydrophobic defect to transversal pore // Scientific Reports. 2017. Vol. 7. No. 1. 12152
RIS |
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RIS Copy
TY - JOUR
DO - 10.1038/s41598-017-12127-7
UR - https://doi.org/10.1038%2Fs41598-017-12127-7
TI - Pore formation in lipid membrane I: Continuous reversible trajectory from intact bilayer through hydrophobic defect to transversal pore
T2 - Scientific Reports
AU - Akimov, Sergey A
AU - Volynsky, Pavel E
AU - Galimzyanov, Timur R
AU - Kuzmin, Peter I
AU - Pavlov, Konstantin V
AU - Batishchev, Oleg
PY - 2017
DA - 2017/09/22 00:00:00
PB - Springer Nature
IS - 1
VL - 7
PMID - 28939906
SN - 2045-2322
ER -
BibTex
Cite this
BibTex Copy
@article{2017_Akimov,
author = {Sergey A Akimov and Pavel E Volynsky and Timur R Galimzyanov and Peter I Kuzmin and Konstantin V Pavlov and Oleg Batishchev},
title = {Pore formation in lipid membrane I: Continuous reversible trajectory from intact bilayer through hydrophobic defect to transversal pore},
journal = {Scientific Reports},
year = {2017},
volume = {7},
publisher = {Springer Nature},
month = {sep},
url = {https://doi.org/10.1038%2Fs41598-017-12127-7},
number = {1},
doi = {10.1038/s41598-017-12127-7}
}
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