Design and performance of a spreadsheet-based model for estimating bioavailability of chemicals from dermal exposure.

A comprehensive transient model of chemical penetration through the stratum corneum, viable epidermis and dermis formulated in terms of an Excel™ spreadsheet and associated add-in is presented. The model is a one-dimensional homogenization of underlying microscopic transport models for stratum corneum and dermis; viable epidermis is treated as unperfused dermis. The model's salient features are a detailed structural description of the skin layers, a combination of first-principles based transport equations and empirical partition and diffusion coefficients, and the capability of simulating a variety of exposure scenarios. Model predictions are compared with representative in vitro skin permeation data obtained from the literature using as summary parameters total absorption (Q(abs)), maximum flux (J(max)) and skin permeability coefficient (k(p)). The results of this evaluation demonstrate the current state-of-the-art in prediction of transient skin absorption and highlight areas in which further elaborations are needed to obtain satisfactory predictions.