20.500.12556/RUL-182844 Ion distribution in the vicinity of phase-separated membran The physical properties of multi-component phospholipid layers have attracted increasing attention as a result of their potential benefits in medicine. We consider a phase-separated multi-component phospholipid plane with one half consisting of charged lipids and the other half of non-charged lipids in contact with an electrolyte solution composed of monovalent ions. Coarse-grained molecular dynamics (MD) simulations were performed to simulate the phase transition between charged and non-charged lipids. In addition, the modified Poisson-Boltzmann (PB) approach was used to consider the distribution of ions with finite size in the vicinity of the charge discontinuity in the lipid layer. The passage between charged and non-charged parts of the plane was described by a sigmoid function obtained from MD simulations. In the vicinity of the lipid layer, in the transition from the uncharged to the charged part, a continuous transition to an increased concentration of counterions is visible. ion distribution theory simulations lipids true false true Angleški jezik Ni določen Članek v reviji 2026-05-25 15:24:24 2026-05-25 15:24:25 2026-05-26 04:35:53 0000-00-00 00:00:00 2026 0 0 7 str. Vol. 444, art. 129168 Feb. 2026 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 544.77.052.2 0167-7322 10.1016/j.molliq.2025.129168 264300291 1-s2.0-S0167732225023475-main.pdf 1-s2.0-S0167732225023475-main.pdf 1 8177442C9865D9F4619F37084FD78766 c919ebb2d35b8720618eb19d13e8e914bd262d9cb5d7ee3409c2b002ecc21e6c ff1e0ca0-583c-11f1-b0ab-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=234438 https://www.sciencedirect.com/science/article/pii/S0167732225023475 1 b78f83b3-583c-11f1-b0ab-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=234437 Fakulteta za kemijo in kemijsko tehnologijo Zdravstvena fakulteta 0 0 0