Nanoscale Structure of Lipid Bilayers Revealed by In-Silico and Experimental Small Angle Neutron Scattering

ORAL

Abstract

Through the combination of simulations and numerical analysis with small angle neutron scattering, we probe the lateral organization of lipid bilayer mixtures. Small Angle Neutron Scattering (SANS) is an excellent complement to optical techniques, as it reveals molecular scale structural details without fluorescent probes. On its own, however, SANS is not sufficient to determine the organization of the membrane. We therefore take a two-pronged approach, comparing molecular dynamics simulations of ternary mixtures to experimental data obtained for the same mixtures. In-silico neutron scattering experiment intensities on simulated membranes are fitted to the experimental data, simultaneously validating the simulation data and providing a molecular scale model of the experimental system. In this way, the transverse variation in scattering length density across the bilayer — which, under fully deuterated solvent, is much more significant than lateral contributions — is used to infer lateral structure.

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Authors

  • Mitchell Dorrell

    Department of Physics and Astronomy, University of Delaware

  • Shahab Derakhshan

    Drexel University, Univ of Delaware, Princeton University, Naval Surface Warfare Center\Carderock Division\West Bethesda site, Naval Surface Warfare Center and Georgetown Univ., Dept. of Physics and Astronomy, University of Delaware, Dept. of Physics and Astronomy, University of Deleware, Dept. of Physics and Astronomy, University of Nevada-Reno, university of Delaware, Contributors, Department of Physics, Astronomy and Geosciences, Towson University, Choice Research Group, Univ of the Sciences in Philadephia, Rutgers Univ, National Institute of Standards and Technology, Department of Chemistry, West Chester University, West Chester, PA 19383, Bucknell University, Towson University, University of Maryland, College of William and Mary, Naval Research Laboratory, Department of Physics, Villanova University, Department of Chemistry, Faculty of Medicine, University of Brescia, Department of Chemistry, State University of New York at Potsdam, Delaware State University DE, NIH Bethesda MD, Wilmington Friends School DE, University Of Rochester NY, Delaware State University, Department of Physics and Astronomy,West Virginia University, The National Energy Technology Laboratory, Non-tenure track professor at research institution, Government Sponsored Laboratory, Research and Development at Industrial Company, Tenure-track Professor at 4 yr college, Department of Physics and Astronomy and Department of Chemistry and Biochemistry, University of Delaware, Biology and Soft Matter Division, Oak Ridge National Laboratory, and Department of Physics and Astronomy, The University of Tennessee, Biology and Soft Matter Division, Oak Ridge National Laboratory, Lehigh Univ, Johns Hopkins Univ, NIST, GMU, GWU, Lock Haven University of PA, Univ of Maryland-Balt County; Center for Nanoscale Materials, Argonne National Laboratory, Department of Chemistry, Northwestern University, Univ of Maryland-Balt County, Pennsylvania State University, BAE Systems, Inc., Nashua, New Hampshire 03061, Department of Physics, West Virginia University, Morgantown, West Virginia, 26506-6315, California State University, Long Beach

  • Shahab Derakhshan

    Drexel University, Univ of Delaware, Princeton University, Naval Surface Warfare Center\Carderock Division\West Bethesda site, Naval Surface Warfare Center and Georgetown Univ., Dept. of Physics and Astronomy, University of Delaware, Dept. of Physics and Astronomy, University of Deleware, Dept. of Physics and Astronomy, University of Nevada-Reno, university of Delaware, Contributors, Department of Physics, Astronomy and Geosciences, Towson University, Choice Research Group, Univ of the Sciences in Philadephia, Rutgers Univ, National Institute of Standards and Technology, Department of Chemistry, West Chester University, West Chester, PA 19383, Bucknell University, Towson University, University of Maryland, College of William and Mary, Naval Research Laboratory, Department of Physics, Villanova University, Department of Chemistry, Faculty of Medicine, University of Brescia, Department of Chemistry, State University of New York at Potsdam, Delaware State University DE, NIH Bethesda MD, Wilmington Friends School DE, University Of Rochester NY, Delaware State University, Department of Physics and Astronomy,West Virginia University, The National Energy Technology Laboratory, Non-tenure track professor at research institution, Government Sponsored Laboratory, Research and Development at Industrial Company, Tenure-track Professor at 4 yr college, Department of Physics and Astronomy and Department of Chemistry and Biochemistry, University of Delaware, Biology and Soft Matter Division, Oak Ridge National Laboratory, and Department of Physics and Astronomy, The University of Tennessee, Biology and Soft Matter Division, Oak Ridge National Laboratory, Lehigh Univ, Johns Hopkins Univ, NIST, GMU, GWU, Lock Haven University of PA, Univ of Maryland-Balt County; Center for Nanoscale Materials, Argonne National Laboratory, Department of Chemistry, Northwestern University, Univ of Maryland-Balt County, Pennsylvania State University, BAE Systems, Inc., Nashua, New Hampshire 03061, Department of Physics, West Virginia University, Morgantown, West Virginia, 26506-6315, California State University, Long Beach

  • Shahab Derakhshan

    Drexel University, Univ of Delaware, Princeton University, Naval Surface Warfare Center\Carderock Division\West Bethesda site, Naval Surface Warfare Center and Georgetown Univ., Dept. of Physics and Astronomy, University of Delaware, Dept. of Physics and Astronomy, University of Deleware, Dept. of Physics and Astronomy, University of Nevada-Reno, university of Delaware, Contributors, Department of Physics, Astronomy and Geosciences, Towson University, Choice Research Group, Univ of the Sciences in Philadephia, Rutgers Univ, National Institute of Standards and Technology, Department of Chemistry, West Chester University, West Chester, PA 19383, Bucknell University, Towson University, University of Maryland, College of William and Mary, Naval Research Laboratory, Department of Physics, Villanova University, Department of Chemistry, Faculty of Medicine, University of Brescia, Department of Chemistry, State University of New York at Potsdam, Delaware State University DE, NIH Bethesda MD, Wilmington Friends School DE, University Of Rochester NY, Delaware State University, Department of Physics and Astronomy,West Virginia University, The National Energy Technology Laboratory, Non-tenure track professor at research institution, Government Sponsored Laboratory, Research and Development at Industrial Company, Tenure-track Professor at 4 yr college, Department of Physics and Astronomy and Department of Chemistry and Biochemistry, University of Delaware, Biology and Soft Matter Division, Oak Ridge National Laboratory, and Department of Physics and Astronomy, The University of Tennessee, Biology and Soft Matter Division, Oak Ridge National Laboratory, Lehigh Univ, Johns Hopkins Univ, NIST, GMU, GWU, Lock Haven University of PA, Univ of Maryland-Balt County; Center for Nanoscale Materials, Argonne National Laboratory, Department of Chemistry, Northwestern University, Univ of Maryland-Balt County, Pennsylvania State University, BAE Systems, Inc., Nashua, New Hampshire 03061, Department of Physics, West Virginia University, Morgantown, West Virginia, 26506-6315, California State University, Long Beach