How does ytterbium chloride interact with DMPC bilayers? A computational and experimental study.

Title How does ytterbium chloride interact with DMPC bilayers? A computational and experimental study.
Authors M.A. Gonzalez; H.M.G. Barriga; J.L. Richens; R.V. Law; P. O'Shea; F. Bresme
Journal Phys Chem Chem Phys
DOI 10.1039/c7cp01400g
Abstract

Lanthanide salts have been studied for many years, primarily in Nuclear Magnetic Resonance (NMR) experiments of mixed lipid-protein systems and more recently to study lipid flip-flop in model membrane systems. It is well recognised that lanthanide salts can influence the behaviour of both lipid and protein systems, however a full molecular level description of lipid-lanthanide interactions is still outstanding. Here we present a study of lanthanide-bilayer interactions, using molecular dynamics computer simulations, fluorescence electrostatic potential experiments and nuclear magnetic resonance. Computer simulations reveal the microscopic structure of DMPC lipid bilayers in the presence of Yb(3+), and a surprising ability of the membranes to adsorb significant concentrations of Yb(3+) without disrupting the overall membrane structure. At concentrations commonly used in NMR experiments, Yb(3+) ions bind strongly to 5 lipids, inducing a small decrease of the area per lipid and a slight increase of the ordering of the aliphatic chains and the bilayer thickness. The area compressibility modulus increases by a factor of two, with respect to the free-salt case, showing that Yb(3+) ions make the bilayer more rigid. These modifications of the bilayer properties should be taken into account in the interpretation of NMR experiments.

Citation M.A. Gonzalez; H.M.G. Barriga; J.L. Richens; R.V. Law; P. O'Shea; F. Bresme.How does ytterbium chloride interact with DMPC bilayers? A computational and experimental study.. Phys Chem Chem Phys. 2017;19(13):91999209. doi:10.1039/c7cp01400g

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