Charge renormalization of bilayer elastic properties

Rastko Sknepnek, Graziano Vernizzi, Monica Olvera de la Cruz

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    Abstract

    By combining molecular dynamics simulations and analytical arguments, we investigate the elastic properties of charged lipid bilayers. We show that electrostatic interactions between the head groups can lead to solidification of the lipid bilayer that would otherwise be in a liquid state if the charges were absent. All elastic parameters of the bilayer such as the bending rigidity kappa and the two-dimensional bulk modulus lambda and Young's modulus Y are found to depend on the values of the charges assigned to the lipid head groups. To extract kappa and lambda, we fit the molecular dynamics data to a standard elastic model for lipid bilayers. Moreover, we analytically obtain the dependence of the Young modulus Y on the relative strengths of electrostatic and van der Waals interactions in the zero temperature limit.

    Original languageEnglish
    Article numberARTN 104905
    Number of pages9
    JournalJournal of Chemical Physics
    Volume137
    Issue number10
    DOIs
    Publication statusPublished - 14 Sep 2012

    Keywords

    • membranes
    • surface
    • computer-simulation
    • molecular-dynamics simulation ULATION
    • phase
    • lipid-bilayers
    • wigner crystal
    • tension
    • liquid/liquid interfaces
    • 2 dimensions

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