title: Chloroform alters interleaflet coupling in lipid bilayers: an entropic mechanism.
abstract: The interaction of the two leaflets of the plasmatic cell membrane is conjectured to play an important role in many cell processes. Experimental and computational studies have investigated the mechanisms that modulate the interaction between the two membrane leaflets. Here, by means of coarse-grained molecular dynamics simulations, we show that the addition of a small and polar compound such as chloroform alters interleaflet coupling by promoting domain registration. This is interpreted in terms of an entropic gain that would favour frequent chloroform commuting between the two leaflets. The implication of this effect is discussed in relation to the general anaesthetic action.
authors.affiliation: Departament de Quimica Fisica and Institut de Quimica Teorica i Computacional (IQTCUB), Universitat de Barcelona, c/Martí i Franquès 1, Pta. 4, 08028 Barcelona, Spain reigada@ub.edu.
authors.forename: Ramon
authors.identifier: http://orcid.org/0000-0003-2177-7014
authors.initials: R
authors.lastname: Reigada
authors.affiliation: Departament de Quimica Fisica and Institut de Nanociencia i Nanotecnologia (IN2UB), Universitat de Barcelona, c/Martı́ i Franquès 1, Pta. 4, 08028 Barcelona, Spain.
authors.forename: Francesc
authors.identifier: http://orcid.org/0000-0002-2956-5676
authors.initials: F
authors.lastname: Sagués
mesh_terms: D002725:Chloroform / Q000737:chemistry*; D019277:Entropy; D008051:Lipid Bilayers / Q000737:chemistry*; D008560:Membrane Fluidity; D021962:Membrane Microdomains; D008956:Models, Chemical; D056004:Molecular Dynamics Simulation
chemical_list: D008051:Lipid Bilayers; D002725:Chloroform
keywords: anaesthesia; chloroform; coarse-grained molecular dynamics; interleaflet interaction; lipid bilayer
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