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- W2005146789 abstract "Recent experiments have shown that Room-Temperature Ionic Liquids (RTIL) can be incorporated into phospholipid bilayers, undermining their stability. Those results have important implications concerning the toxicity of RTILs, but could also point to biotechnological applications. However, the experiments available up to now, provide limited access to the microscopic details on the RTIL-phospholipid interaction. Neutron Scattering (NS) and Molecular Dynamics (MD), instead, represent powerful tools for characterizing both the structure and dynamical properties at the microscopic level. Here we present a comprehensive NS and MD study on phospholipid bilayers in contact with water solution of prototypical RTILs, e.g. [bmim][Cl], [bmim][PF6], and [bmim][NTf2]. Neutron diffraction and reflectivity allow us to determine the changes in the membrane structure when different RTILs are added, while the dynamical properties have been determined by quasi-elastic neutron scattering. MD has been performed on the same systems using Gromacs. NS has been performed at ILL (France), ISIS (UK), and NIST (USA) large-scale facilities, whereas the MD on the supercomputer ICHEC (Ireland). Experimental results and MD predictions agree with each other, and provide a wealth of microscopic information on the RTIL-phospholipid interaction.View Large Image | View Hi-Res Image | Download PowerPoint Slide" @default.
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- W2005146789 date "2014-01-01" @default.
- W2005146789 modified "2023-09-28" @default.
- W2005146789 title "Room-Temperature Ionic Liquids Interacting with a Phospholipid Bilayer: A Comprehensive Neutron Scattering and Molecular Dynamics Study" @default.
- W2005146789 doi "https://doi.org/10.1016/j.bpj.2013.11.2792" @default.
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