Toxicity assessment of organic pollutants

Reliability of bioluminescence inhibition assay and univariate QSAR models using freshly prepared Vibrio fischeri

​Shahid  ​Parvez, Chandra Venkataraman, Suparna Mukherji

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

The toxicity of 14 industrially relevant organic chemicals was determined using freshly grown Vibrio fischeri bioluminescence inhibition assay. The results were compared to lyophilized V. fischeri, 96 h fish, 48 h Daphnia magna and 95 h green algae bioassays. Reliability of octanol-water partition coefficient (Kow), and first order simple and valence molecular connectivity index (1χ, 1χv) based regression models for predicting toxicity to V. fischeri was studied. Correlations were obtained between freshly grown V. fischeri data (Log(EC50)) and Log(Kow), molecular connectivity indices (1χ, 1χv), energy of the highest occupied (EHOMO) and lowest unoccupied (ELUMO) molecular orbitals, and their difference (ELUMO - EHOMO). A good match was observed between V. fischeri assay conducted with freshly grown and lyophilized culture (r2 = 0.90). Good correlations (r2 > 0.95) were obtained with all the other bioassays after excluding compounds with Log(Kow) less than 2.0. Available regression models based on Log(Kow) and 1χv yielded lower toxicity values. V. fischeri bioassay showed fairly good correlation with Log(Kow), 1χ and 1χv (r2 > 0.75) but poor correlation with EHOMO, ELUMO and (ELUMO - EHOMO) in presence of polar compounds. EHOMO and ELUMO values are affected by polarity and can be used along with Log(Kow) and 1χv for generating better predictive models.

Original languageEnglish (US)
Pages (from-to)1806-1813
Number of pages8
JournalToxicology in Vitro
Volume22
Issue number7
DOIs
StatePublished - Oct 1 2008
Externally publishedYes

Fingerprint

Aliivibrio fischeri
Bioluminescence
Quantitative Structure-Activity Relationship
Bioassay
Organic pollutants
Toxicity
Assays
Biological Assay
Organic Chemicals
Octanols
Molecular orbitals
Algae
Fish
Daphnia
Chlorophyta
Water
Fishes

Keywords

  • Daphnia magna
  • Molecular descriptors
  • Toxicity models
  • Vibrio fischeri

ASJC Scopus subject areas

  • Toxicology

Cite this

Toxicity assessment of organic pollutants : Reliability of bioluminescence inhibition assay and univariate QSAR models using freshly prepared Vibrio fischeri. / ​Parvez, ​Shahid ; Venkataraman, Chandra; Mukherji, Suparna.

In: Toxicology in Vitro, Vol. 22, No. 7, 01.10.2008, p. 1806-1813.

Research output: Contribution to journalArticle

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