SchmiRmaL - intelligent tribo systems

Research project at a glance

In this project Fraunhofer SCAI uses highly modern molecular midelling for the simulation of octanol-water and membrane-water distribution coefficients. Both of them are important to  rate the toxicity of those chemicals. The octanol-water distribution indicates the affinity of a chemical to biological material. In contrast, the membrane-water distribution shows how fast a chemical can intrude a biological cell. These experiments are not easy to perform due to the extremely low IL-concentrations. Therefore, the simulation is a good and realistic alternative concerning the accuracy and the price. 

Keywords

TREE Polymerforschung Institut für Technik, Ressourcenschonung und Energieeffizienz Computersimulation

Departments and Instituts

Department of Engineering and Communication Institute of Technology, Resource and Energy-efficient Engineering (TREE)

Funding type

Publicly funded research

Period

31.12.2012 to 31.12.2015

Project manager at H-BRS

Project Description

In this project Fraunhofer SCAI uses highly modern molecular midelling for the simulation of octanol-water and membrane-water distribution coefficients. Both of them are important to  rate the toxicity of those chemicals. The octanol-water distribution indicates the affinity of a chemical to biological material. In contrast, the membrane-water distribution shows how fast a chemical can intrude a biological cell. These experiments are not easy to perform due to the extremely low IL-concentrations. Therefore, the simulation is a good and realistic alternative concerning the accuracy and the price. 

Cooperation partners

Fraunhofer_SCAI.png (DE)

Sponsors

bmbf_logo.png (DE)