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

T. J. Whang, Y. T. Wang, Y. P. Wu, Y. S. Wang, M. C. Tsai, D. S. Huang

研究成果: Article同行評審

2 引文 斯高帕斯(Scopus)

摘要

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 (log P) and electrophilicity (LUMO). The model log (Ki-1) = 0.434 (±0.011)log P - 0.389 (±0.013)LUMO - 2.131(±0.031); n = 155, r2 = 0.941, radj2 = 0.940, s = 0.119, F = 1206 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.

原文English
頁(從 - 到)247-262
頁數16
期刊SAR and QSAR in Environmental Research
16
發行號3
DOIs
出版狀態Published - 2005 6月

All Science Journal Classification (ASJC) codes

  • 生物工程
  • 分子醫學
  • 藥物發現

指紋

深入研究「Assessment of baseline toxicity of mono-cyclic aromatic compounds by pseudomonas initial oxygen uptake assay」主題。共同形成了獨特的指紋。

引用此