20.500.12556/RUL-129502 Monovalent ions and water dipoles in contact with dipolar zwitterionic lipid headgroups-theory and MD simulations The lipid bilayer is a basic building block of biological membranes and can be pictured as a barrier separating two compartments filled with electrolyte solution. Artificial planar lipid bilayers are therefore commonly used as model systems to study the physical and electrical properties of the cell membranes in contact with electrolyte solution. Among them the glycerol-based polar phospholipids which have dipolar, but electrically neutral head groups, are most frequently used in formation of artificial lipid bilayers. In this work the electrical properties of the lipid layer composed of zwitterionic lipids with non-zero dipole moments are studied theoretically. In the model, the zwitterionic lipid bilayer is assumed to be in contact with aqueous solution of monovalent salt ions. The orientational ordering of water, resulting in spatial variation of permittivity, is explicitly taken into account. It is shown that due to saturation effect in orientational ordering of water dipoles the relative permittivity in the zwitterionic headgroup region is decreased, while the corresponding electric potential becomes strongly negative. Some of the predictions of the presented mean-field theoretical consideration are critically evaluated using the results of molecular dynamics (MD) simulation. ions dipoles lipids dipolar zwitterionic headgroups relative permittivity orientational ordering water molecules planar lipid bilayers ioni dipoli lipidi true false true Angleški jezik Slovenski jezik Članek v reviji 2021-09-02 11:40:23 2021-09-02 11:40:23 2022-09-08 04:08:54 0000-00-00 00:00:00 2013 0 0 Str. 2846-2861 iss. 2 Vol. 14 2013 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 577.115 1422-0067 10.3390/ijms14022846 9628500 RAZ_Velikonja_Aljaz_2013.pdf RAZ_Velikonja_Aljaz_2013.pdf 1 64003E5BA3F43733CEA9EE6FAD22B5F7 1faf58382d506a1580596f18bc2f0b9baf4008a921a5f1c7e3ddfc7fb2ecf8b9 d10821a0-0bd1-11ec-a523-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=146486 http://www.mdpi.com/1422-0067/14/2/2846 1 90659e6c-0bd1-11ec-a523-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=146485 Fakulteta za elektrotehniko Medicinska fakulteta 0 0 0