Files
Document type
ArticleVersion
Accepted versionPublication date
Publication license
Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/165986
Membranes with different hydration levels: the interface between bound and unbound hydration water
Journal Title
Director/Tutor
Journal ISSN
Volume Title
Related resource
Abstract
The interaction of water with membranes is fundamental in many biological processes. Recently we found that, upon increasing hydration, water molecules first fill completely the interior of the membrane, next accumulate in layers in the exterior region. Here, we show by all-atom simulations that the translational and rotational dynamics of water molecules is strongly determined by their local distance to the membrane so that we can identify the existence of an interface between the first hydration shell, partially made of hydra- tion water bound to the membrane, and the next shells entirely made of unbound hydration water. Bound hydration water has a possible structural role and an extremely slow dynamics, while unbound hydration water, with no water-lipids hydrogen bonds, has a dynamics ten time faster than bound water but still one order of magnitude slower than bulk water. Our results could be relevant to understand the slowdown of biological activity upon dehydration.
Subject
Subject (English)
Citation
Citation
CALERO BORRALLO, Carles and FRANZESE, Giancarlo. Membranes with different hydration levels: the interface between bound and unbound hydration water. Journal of Molecular Liquids. 2018. Vol. 273, num. 488-496. ISSN 0167-7322. [consulted: 12 of June of 2026]. Available at: https://hdl.handle.net/2445/165986