Molecular dynamics simulations of lipid membranes with lateral force: rupture and dynamic properties.

Biochim Biophys Acta

Department of Chemistry, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1, Canada. Electronic address:

Published: March 2014

AI Article Synopsis

  • The study investigates how membranes, specifically dipalmitoylphosphatidylcholine (DPPC) lipid bilayers, respond to lateral tension and what causes them to rupture.
  • Findings reveal that the rupture of membranes is influenced by factors such as the magnitude of lateral tension, the rate at which the tension is applied, and the size of the bilayer.
  • Regardless of size or loading rate, a lateral pressure of -200 bar consistently leads to membrane rupture, highlighting the importance of certain dynamic properties of lipid molecules in understanding membrane behavior.

Article Abstract

Membranes' response to lateral tension, and eventual rupture, remains poorly understood. In this study, pure dipalmitoylphosphatidylcholine (DPPC) lipid bilayers, under tension/pressure, were studied using molecular dynamics (MD) simulations. The irreversible membrane breakdown is demonstrated to depend on the amplitude of lateral tension, loading rate, and the size of the bilayer. In all of our simulations, -200bar lateral pressure was found to be enough to rupture lipid membrane regardless of the loading rate or the membrane size. Loading rate and membrane size had a significant impact on rupture. A variety of dynamic properties of lipid molecules, probability distribution of area per lipid particularly, have been determined, and found to be fundamental for describing membrane behavior in detail, thus providing the quantitative description for the requirement of membrane rupture.

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Source
http://dx.doi.org/10.1016/j.bbamem.2013.12.011DOI Listing

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