title: Structural Degradation and Swelling of Lipid Bilayer under the Action of Benzene.
abstract: Benzene and other nonpolar organic solvents can accumulate in the lipid bilayer of cellular membranes. Their effect on the membrane structure and fluidity determines their toxic properties and antibiotic action of the organic solvents on the bacteria. We performed molecular dynamics simulations of the interaction of benzene with the dimyristoylphosphatidylcholine (DMPC) bilayer. An increase in the membrane surface area and fluidity was clearly detected. Changes in the acyl chain ordering, tilt angle, and overall bilayer thickness were, however, much less marked. The dependence of all computed quantities on the benzene content showed two regimes separated by the solubility limit of benzene in water. When the amount of benzene exceeded this point, a layer of almost pure benzene started to grow between the membrane leaflets. This process corresponds to the nucleation of a new phase and provides a molecular mechanism for the mechanical rupture of the bilayer under the action of nonpolar compounds.
authors.affiliation: Photochemistry Center of the Russian Academy of Sciences, 7a Novatorov ul., Moscow, 119421, Russia.
authors.forename: Alexey
authors.initials: A
authors.lastname: Odinokov
authors.affiliation: Photochemistry Center of the Russian Academy of Sciences, 7a Novatorov ul., Moscow, 119421, Russia.|Moscow Institute of Physics and Technology , 9 Institutskiy per., Dolgoprudny, Moscow Region, 141700, Russia.
authors.forename: Denis
authors.initials: D
authors.lastname: Ostroumov
mesh_terms: D001554:Benzene / Q000737:chemistry*; D004134:Dimyristoylphosphatidylcholine / Q000737:chemistry*; D008051:Lipid Bilayers / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D015394:Molecular Structure
chemical_list: D008051:Lipid Bilayers; D001554:Benzene; D004134:Dimyristoylphosphatidylcholine