Claire LOISON
When |
Jan 09, 2019 à 10:30 AM |
---|---|
Where |
A. Collet |
Lipidic bilayers as biolubricants ? some insights from molecular dynamics simulations.
Lipidic bilayers are ubiquitous in living organisms. Nearby their essential and famous role as cell and organelle membranes, lipids also fulfill an important role in biolubrication. Together with hyaluronan and proteins, they compose the biolubricant called synovial fluid, that sustains a low
friction between cartilage surfaces in synovial joints. Even more, the thin layers coating articular cartilage in synovial joints lubricate at levels unmatched by any human-made materials.
But the mechanisms of lubrication of the cartilage by the synovial fluid are still not well understood. Experimentalists can quantify (e.g. with surface force balance or micro-rheometers) how model phospholipid membranes diminish the friction coefficient between models of cartilages. Various physico-chemical parameters of the lipidic fluid (composition, temperature, ionic strengths, cartilage surface,...) can have a huge impact on its lubrication properties.
To understand how the molecular structure and physico-chemical properties of the lipid membrane impact the lubrication, we have performed molecular dynamics simulations and have investigated the membrane responses to mechanical stresses such a load and shear.
In particular, we have investigated the impact of membrane phase [1], hydration level[2], and ionic strength [3,4]. I shall also briefly present our latest advances in developing a simulation model to describe the interactions of lipidic membranes with a substrate mimicking the cartilage [5].
References :
[1] K. Falk et al. (PCCP, 2013) Interleaflet sliding in Lipidic Bilayers
under Shear Flow: Comparison of the Gel and Fluid Phases using Reversed
Non-Equilibrium Molecular Dynamics Simulations.
[2] A. Botan et al.(Langmuir, 2015) Mixed Mechanism of Lubrication by Lipid Bilayer Stacks
[3] A. Catte et al. (PCCP, 2016) Molecular electrometer and binding of cations to phospholipid bilayers
[4] S. Vilov et al. (in preparation) Electrokinetics near by a neutral lipidic membrane : comparison of continuum hydrodynamic models with molecular dynamics simulations
[5] F. Benedetti et al. (in preparation) Solid-Supported phospholipid bilayers and trilayers : Coarse-Grained Molecular Simulations vs Neutron Reflectivity Experiments