A polycation causes migration of negatively charged phospholipids from the inner to outer leaflet of the liposomal membrane

AbstractAggregation of the negatively charged liposomes caused by the addition of the linear polycation, poly-N-ethyl-4-vinylpyridine bromide, was studied. At the point of maximal size and zero electrophoretic mobility of aggregates, the concentration of positive charges brought in by the adsorbed polycation was found to be equal to the total concentration of negative charges both on the outer and inner surface of the lipid bilayer. Since polycation saturation of the liposomal negative charges was found to occur without disruption of the membrane, it was concluded that the polycation induced migration of negatively charged phospholipid molecules from the inner to outer leaflet of the bilayer

High-throughput ab-initio calculations: materials for energy storage

At present time, sodium-based batteries are considered as the most viable candidates for replacing widespread lithium batteries. Al- and K-based materials (among others) are also envisaged as prospective compounds for the next generation of solid state batteries (SSB). We are calculated the possible migration pathways for a number of Na-, Al-,K- and Li-conductive materials and selected new perspective compounds from ICSD database using ToposPro package, specially designed for study of super-ionic conductors. For the most promising compounds a careful analysis using DFT calculations was performed. The combined study with both topological and DFT approaches is crucial to gain insight into the main features of ionic conductivity