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- W4292236939 endingPage "101184" @default.
- W4292236939 startingPage "101184" @default.
- W4292236939 abstract "Skin's effectiveness as a barrier to permeation of water and other chemicals rests almost entirely in the outermost layer of the epidermis, the stratum corneum (SC), which consists of layers of corneocytes surrounded by highly organized lipid lamellae. As the only continuous path through the SC, transdermal permeation necessarily involves diffusion through these lipid layers. The role of the SC as a protective barrier is supported by its exceptional lipid composition consisting of ceramides (CERs), cholesterol (CHOL), and free fatty acids (FFAs) and the complete absence of phospholipids, which are present in most biological membranes. Molecular simulation, which provides molecular level detail of lipid configurations that can be connected with barrier function, has become a popular tool for studying SC lipid systems. We review this ever-increasing body of literature with the goals of (1) enabling the experimental skin community to understand, interpret and use the information generated from the simulations, (2) providing simulation experts with a solid background in the chemistry of SC lipids including the composition, structure and organization, and barrier function, and (3) presenting a state of the art picture of the field of SC lipid simulations, highlighting the difficulties and best practices for studying these systems, to encourage the generation of robust reproducible studies in the future. This review describes molecular simulation methodology and then critically examines results derived from simulations using atomistic and then coarse-grained models." @default.
- W4292236939 created "2022-08-19" @default.
- W4292236939 creator A5002091072 @default.
- W4292236939 creator A5028183845 @default.
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- W4292236939 creator A5072790675 @default.
- W4292236939 creator A5074946042 @default.
- W4292236939 creator A5090387403 @default.
- W4292236939 date "2022-11-01" @default.
- W4292236939 modified "2023-10-18" @default.
- W4292236939 title "Using molecular simulation to understand the skin barrier" @default.
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