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

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

Fax: 01 513-558-4372


Rebecca Notman, University of Warwick, UK, r.notman@warwick.ac.uk
Todd Gouin, Unilever, Ltd., UK, Todd.Gouin@unilever.com
Eric Fabian, BASF SE, DE, eric.fabian@basf.com
Joanna Jaworska, The Procter & Gamble Company, USA, jaworska.j@pg.com
Russell Devane, The Procter & Gamble Company, USA, devane.rh@pg.com

Bruce Murch, The Procter & Gamble Company, USA, murch.bp@pg.com


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. 

Read the executive summary of the project.

Related Publications


Miller MA, Kasting GB. A spreadsheet-based method for simultaneously estimating the disposition of multiple ingredients applied to skin. J Pharm Sci. 2015 Jun;104(6):2047-2055.

Miller MA, Yu F, Kim KI, Kasting GB. Uptake and desorption of hydrophilic compounds from human stratum corneum. J Control Release. 2017 Sep 10;261:307-317.

Kasting GB, Miller MA, LaCount TD, Jaworska J. A Composite Model for the Transport of Hydrophilic and Lipophilic Compounds Across the Skin: Steady-State Behavior. J Pharm Sci. 2019 Jan;108(1):337-349.

Del Regno A, Notman R. Permeation pathways through lateral domains in model membranes of skin lipids. Phys Chem Chem Phys. 2018 Jan 24;20(4):2162-2174.


Miller M.A., Jaworska J. and Kasting G.B. An appendageal model for the transport of hydrophilic compounds across the skin. Occupational and Environmental Exposures to Skin (OESCC) Conference, September 2016, Manchester, United Kingdom.

G Kasting, M Miller, R Notman, A Del Regno, T Gouin, J Jaworska, R Devane, B Murch, E Fabian, K Guth. Development of a mechanistic framework to assess dermal absorption of chemicals. Cefic-LRI 16th Annual Workshop, November 2014, Brussels, Belgium.

Timeline: July 2013 > July 2016

LRI funding: € 500 000

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