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ToxSci Advance Access published online on October 20, 2007
Toxicological Sciences, doi:10.1093/toxsci/kfm262
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© The Author 2007. Published by Oxford University Press on behalf of the Society of Toxicology. All rights reserved. For Permissions, please email: journals.permissions@oxfordjournals.org

Mode of Action Clustering of Chemicals and Environmental Samples on Bases of Bacterial Stress Gene Inductions

F. Dardenne*,{dagger}, S. Van Dongen{dagger}, I. Nobels{dagger}, R. Smolders{ddagger}, W. De Coen{dagger} and R. Blust{dagger}

{dagger} University of Antwerp, Department of Biology, Ecophysiology, Biochemistry and Toxicology Group, Groenenborgerlaan 171/U7, B-2020 Antwerp, Belgium, Tel: ++/32/3.265.33.47, Fax: ++/32/3.265.04.97, Email: gosia.freddy{at}scarlet.be {ddagger} VITO, Environmental Toxicology Group, Boeretang 200, B-2400 Mol, Belgium, Email: roel.smolders{at}vito.be

* To whom correspondence should be addressed

Received August 7, 2007; revision received September 24, 2007; accepted September 26, 2007


  Abstract

Over the years environment and the human population have seen an increasing exposure to both existing and newly developed chemicals. It is generally accepted that at least some of those are toxic, albeit as pure compound or in combination with others. In response to a growing public awareness and scientifical data the new European chemicals legislation (REACH, Registration, Evaluation and Authorization of Chemicals) is under implementation at the moment. As a consequence, during the coming years about 30000 chemicals have to be assessed on their potential hazard for man and biota. Part of this assessment will be done using existing and new in vitro tests offering insight in the toxicity of chemicals and in their toxicological mode of action. This study presents data on a battery of fourteen bacterial reporter gene assay allowing mode of action determination and statistical grouping of chemicals based on their induction profile. Gene induction results are used to group reference chemicals in a statistical cascade employing hierarchical tree and k-means clustering for initial grouping. Both complementary, yet mathematically different, algorithms are consequently confirmed by principal component analysis (PCA). The gene induction profiles of an environmental extract with documented in vivo effects and a chemical with limited toxicological data available, are projected in the PCA vector space. The projection allows correct mode of action grouping and indicates that effect predictions based on the known toxicological effects of the reference compounds can be made.


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