Structural transitions in ceramide cubic phases during formation of the human skin barrier
(English)Manuscript (preprint) (Other academic)
The stratum corneum is the outer-most layer of the human skin, and constitutes the primary barrier to penetration of external substances. The barrier function of the stratum corneum is primarily located to its extracellular space, which consists of long-chain ceramides, free fatty acids and cholesterol organised into a stacked lamellar bilayer structure. Recent experimental studies have shown that these lamellar structures are formed through a structural reorganization of glycosylceramide-based bilayers, folded in three dimensions with a cubic-like symmetry. Here we present coarse-grained molecular dynamics simulations of human ceramide- and glycosylceramide bilayer structures with gyroid cubic symmetry. The bilayer structures with glycosylceramides are able to maintain the cubic symmetry, while the bilayer structures with ceramides collapse into a stacked lamellar bilayer structure as the water content is reduced.
IdentifiersURN: urn:nbn:se:kth:diva-183361OAI: oai:DiVA.org:kth-183361DiVA: diva2:910000
QS 20162016-03-082016-03-082016-03-08Bibliographically approved