Assessment of baseline toxicity of mono-cyclic aromatic compounds by pseudomonas initial oxygen uptake assay

The objective of this study was to develop quantitative structure-activity relationships (QSARs) for the toxicity of mono-cyclic aromatic compounds in the Pseudomonas putida initial oxygen uptake assay. The QSARs were developed using response-surface based on descriptors for chemical hydrophobicity...

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Bibliographic Details
Published in:SAR and QSAR in environmental research 2005-06, Vol.16 (3), p.247-262
Main Authors: Whang, T.-J., Wang, Y.-T., Wu, Y.-P., Wang, Y.-S., Tsai, M.-C., Huang, D.-S.
Format: Article
Language:English
Subjects:
1-Octanol - chemistry
Baseline toxicity
Benzene Derivatives - toxicity
Hydrophobic and Hydrophilic Interactions
Models, Biological
Narcosis
Narcotics - toxicity
Oxygen - metabolism
Pseudomonas
Pseudomonas putida
Pseudomonas putida - drug effects
Pseudomonas putida - metabolism
QSAR
Quantitative Structure-Activity Relationship
Toxicokinetic
Uncoupling
Water - chemistry
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Summary:The objective of this study was to develop quantitative structure-activity relationships (QSARs) for the toxicity of mono-cyclic aromatic compounds in the Pseudomonas putida initial oxygen uptake assay. The QSARs were developed using response-surface based on descriptors for chemical hydrophobicity and electrophilicity (LUMO). The model ; led us to conclude that the polar and non-polar narcotics were statistically indistinguishable. Pentafluorophenol, pentachlorophenol and most dinitrophenols classified as weak acid respiratory uncouplers in literature fit well into this model when they were treated as their corresponding phenoxides. This latter result suggests that the action mechanism of these phenols should be reevaluated.
ISSN:1062-936X
1029-046X
DOI:10.1080/10659360500036703