TYC@Imperial: Molecular modelling of nanomaterials at lipid membranes

Professor Nick Quirke

Department of Chemistry, Imperial College London

Monday 9th December 2019
Time: 12.00pm
Venue: G01, Royal School of Mines, imperial College London
Contact: Ms Hafiza bibi
Tel: 02075947252


The interaction of cell membranes with inorganic surfaces is of interest in medicine and in toxicology. In medicine, inorganic materials are used in implants and in finely divided form as nano-medicines or magnetic resonance imaging (MRI) contrast agents. Inorganic engineered nanoparticles (ENMs) are increasingly found in the environment. They are present in batteries, catalysts, chemical coatings, packaging, electronic devices, and cosmetics. The expanding production of ENMs has led to serious concerns regarding their impact on human health and the environment in general. Most recently the focus of research has been on the interaction of nanoparticles with cytoplasmic membranes with a view to assessing likely damage due to nanoparticles at the cellular level. At the same time, there is interest in experiments on model membranes comprising lipid vesicles with the goal of understanding the factors that that control particle uptake in these much simpler systems. In this talk we outline the major challenges to modelling the bio-nano interface and discuss some recent results from atomistic molecular dynamics simulations of nanoparticle/lipid membrane  interfaces in the context of the h2020 project smartnanotox (http://www.smartnanotox.eu/)



Free energy of adhesion of lipid bilayers on silica surfaces, M. Schneemilch, and N Quirke, J Chem , 148, 194704 (2018)

C. Contini, M. Schneemilch, S. Gaisford, N. Quirke, ‘Nanoparticle membrane interactions’, Journal of Experimental Nanoscience 13,  62 (2017)

M Schneemilch, N Quirke. ‘Free energy of adsorption of supported lipid bilayers from Molecular Dynamics simulation’, Chemical Physics Letters 664, 199 (2016)

M. Schneemilch and N. Quirke ‘Molecular dynamics of nanoparticles at lipid interfaces’, Mol Sim 36, 831 (2010)





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