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Skin Permeation

The skin is the largest organ of the human body and the largest interface with its environment. Its primary role is that of a barrier, preventing the loss of hydration and the absorption of harmful substances. This barrier function resides almost completely in its topmost layer, known as stratum corneum.

We use molecular dynamics simulations with enhanced sampling techniques to simulate the motion of particles through lipid membranes found in the stratum corneum. We aim at predicting membrane permeabilities and effective diffusion constants, which are of relevance for most macroscopic models of skin permeation. For that purpose, we develop techniques to describe inhomogeneous diffusion processes. We are particularly interested in describing transport anisotropy and anomalous diffusion processes.

This research is of interest to the pharmaceutical and cosmetical industries, as well as for understanding the dermal absorption of harmful substances, for example the products of certain indoor air reactions.