Authors
Sergey A Akimov, Pavel E Volynsky, Timur R Galimzyanov, Peter I Kuzmin, Konstantin V Pavlov, Oleg V Batishchev
Publication date
2017/9/22
Journal
Scientific reports
Volume
7
Issue
1
Pages
12152
Publisher
Nature Publishing Group UK
Description
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 …
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