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Issue 15, 2013
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Exploring thermodynamic stability of the stalk fusion-intermediate with three-dimensional self-consistent field theory calculations

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Abstract

The prospects of compressible Self-Consistent Field (SCF) theory schemes for describing structures in amphiphilic membranes are illustrated by considering the thermodynamic stability of hourglass-shaped, hydrophobic connections (stalks) between apposed bilayers. The membranes are represented by a coarse-grained, solvent-free model. We represent the chain architecture by a Gaussian-thread representation of the chain architecture and capture the non-bonded interactions with a functional, which is of third-order in the densities of the hydrophilic and the hydrophobic segments. Using a three dimensional real-space scheme, we study the thermodynamic stability of the stalk with respect to two planar apposing bilayers as a function of membrane tension and molecular asymmetry. The structure and thermodynamics predicted by SCF theory agree very well with particle-based simulations, which include fluctuations. We discuss how the longer-range perturbations of the membrane induced by the stalk can affect thermodynamic properties.

Graphical abstract: Exploring thermodynamic stability of the stalk fusion-intermediate with three-dimensional self-consistent field theory calculations

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Publication details

The article was received on 15 Oct 2012, accepted on 06 Feb 2013 and first published on 06 Mar 2013


Article type: Paper
DOI: 10.1039/C3SM00098B
Citation: Soft Matter, 2013,9, 4097-4102
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    Exploring thermodynamic stability of the stalk fusion-intermediate with three-dimensional self-consistent field theory calculations

    K. Ch. Daoulas and M. Müller, Soft Matter, 2013, 9, 4097
    DOI: 10.1039/C3SM00098B

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