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Research » Uchem » Research » Project Overview » Experimental validation and development of a computer-based system to predict biotransformation pathways of chemicals
Eawag - Aquatic Research
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Department
Project collaborators

Project collaborators

Damian Helbling

Kathrin Fenner
Juliane Hollender

Hans-Peter Kohler

 
 
Environmental Chemistry
Experimental validation and development of a computer-based system to predict biotransformation pathways of chemicals

Experimental validation and development of a computer-based system to predict biotransformation pathways of chemicals

High-resolution mass spectrometry and biotransformation experiments with activated sludge are employed to gain a comprehensive overview over the range of biotransformation products formed for a divers set of chemicals. The knowledge on preferred biotransformation pathways is then used to validate and improve existing biotransformation rules and rule priorities in a computer-based system to predict biotransformation pathways of chemicals (http://umbbd.ethz.ch/predict/index.html).

Financing

Eawag Discretionary Funds

Publications

Helbling, D., J. Hollender, H.-P. Kohler, K. Fenner. 2010. A structure-based interpretation of biotransformation pathways of amide-containing compounds in sludge-seeded bioreactors. Environ. Sci. Technol. 44: 6628-6635.

Helbling, D., J. Hollender, H.-P. Kohler, H. Singer, K. Fenner. 2010. High-throughput identification of microbial transformation products of organic micropollutants. Environ. Sci. Technol. 44:6621-6627.