作者: Christopher M. MacDermaid , Kyle Wm. Hall , Russell H. DeVane , Michael L. Klein , Giacomo Fiorin
DOI: 10.1101/786699
关键词: Interstitial water 、 Stratum corneum 、 Permeation 、 Excess water 、 Chemical species 、 Lamellar phase 、 Molecular dynamics 、 Transdermal 、 Biophysics 、 Chemistry
摘要: ABSTRACT The lipid matrix in the outer layer of mammalian skin, stratum corneum, has been previously investigated by multiple biophysical techniques, aimed at identifying hydrophilic and lipophilic pathways permeation. While consensus is developing over microscopic structure matrix, no molecular-resolution model describes permeability all chemical species simultaneously. Using molecular dynamics simulations a mixture skin lipids, self-assembly lamellae studied. At higher humidity, resulting lamellar phase maintained partitioning excess water into isolated droplets controlled size spatial distribution. may fuse together to form intra-lamellar channels, thereby providing pathway for permeation species. These results reconcile competing data on skin’s broaden scope molecular-based methods improve safety topical products advance transdermal drug delivery.