Cefic-lri Programme | European Chemical Industry Council

B13-UCIN: Development of a mechanistic in silico multi-scale framework to assess dermal absorption of chemicals

Principal Investigator

University of Cincinnati
P.O. Box 210222
Cincinnati, OH  45221-0222
Prof. Gerld B. Kasting
Tel: 01 513-558-1817
Fax: 01 513-558-4372



Rebecca Notman, University of Warwick, UK
Todd Gouin, Unilever, Ltd., UK
Eric Fabian, BASF SE, DE
Joanna Jaworska / Russell Devane/Bruce Murch, The Procter & Gamble Company, USA


The research project will build upon existing technology for estimating dermal penetration of chemicals by addressing unmet needs in a mechanistically-based manner that will not only provide an improved risk assessment tool for the immediate future but also enrich the science in this area to support ongoing developments.

Results of this project will be able to (1) explain and (2) reliably predict chemical bioavailability from dermal exposure for a broad range of chemical classes and formulations.

The project seeks to advance the state of art by:

a) providing a set of virtual probes to build a hypothesis regarding the mechanism of penetration of the chemical of interest and its ability to change SC structure;

b) developing a hierarchical approach for calculation of transport via different pathways to expand the chemical domain in which reliable quantitative predictions can be obtained;

c) addressing formulation effects on skin permeability based on solution thermodynamics and chemical interactions between the SC and the formulation;

d) characterizing the uncertainty of these predictions. 


Related Publications


Miller M.A., Jaworska J. and Kasting G.B., “An appendageal model for the transport of hydrophilic compounds across the skin“, presented at Occupational and Environmental Exposures to Skin (OESCC) conference, 19-21/09/2016

Development of a mechanistic framework to assess dermal absorption of chemicals, presented at the 16th Cefic-LRI Annual Workshop 2014

Timeline: July 2013 > July 2016

LRI funding: € 500.000

Cefic-Lri Programme Responsible Care

© Copyright 2017 Cefic | European Chemical Industry Council. All rights reserved | Terms and Conditions of Use