Quantitative structure-activity relationship for the photoinduced toxicity of polycyclic aromatic hydrocarbons to the luminescent bacteria Vibrio fischeri. 2002

Yousef S El-Alawi, and Xiao-Dong Huang, and D George Dixon, and Bruce M Greenberg
Department of Biology, University of Waterloo, Ontario, Canada.

Sunlight can greatly enhance the toxicity of polycyclic aromatic hydrocarbons (PAHs). Photosensitization reactions (e.g., generation of singlet-state oxygen) and photomodification reactions (e.g., photooxidation of PAHs to more toxic species) are both pathways of photoinduced toxicity of PAHs. Previously, a quantitative structure-activity relationship (QSAR) was developed for PAHs showing that a photosensitization factor (PSF) and photomodification factor (PMF) can be additively combined to describe photoinduced toxicity. That QSAR model was developed for the photoinduced toxicity of 16 PAHs to the higher plant Lemna gibba. The objective of this study was to apply the QSAR model developed for L. gibba to another organism. The organism chosen was the luminescent marine bacteria Vibriofischeri. Toxicity data used for the QSAR model were inhibition of luminescence and inhibition of growth of V. fischeri. Both short-term (15 min) and long-term (18 h) assays of toxicity were used. Light did not impact on PAH toxicity in the short-term assay, and thus the QSAR model did not correlate well with these data. Conversely, light greatly enhanced toxicity when the long-term assay was employed. The PMFs for the PAHs from the L. gibba QSAR showed a moderate correlation to bacterial toxicity in the long-term assay, whereas the PSFs showed only a weak correlation to toxicity. As was the case for L gibba, summing the PMF and the PSF resulted in a strong correlation to toxicity that had predictive value. Thus, a QSAR model derived for plants accurately described the toxicity of PAHs to a bacterial species. This indicates that the bipartite mechanism of PAH-photoinduced toxicity may be applicable to other organisms.

UI MeSH Term Description Entries
D008163 Luminescent Measurements Techniques used for determining the values of photometric parameters of light resulting from LUMINESCENCE. Bioluminescence Measurements,Bioluminescent Assays,Bioluminescent Measurements,Chemiluminescence Measurements,Chemiluminescent Assays,Chemiluminescent Measurements,Chemoluminescence Measurements,Luminescence Measurements,Luminescent Assays,Luminescent Techniques,Phosphorescence Measurements,Phosphorescent Assays,Phosphorescent Measurements,Assay, Bioluminescent,Assay, Chemiluminescent,Assay, Luminescent,Assay, Phosphorescent,Assays, Bioluminescent,Assays, Chemiluminescent,Assays, Luminescent,Assays, Phosphorescent,Bioluminescence Measurement,Bioluminescent Assay,Bioluminescent Measurement,Chemiluminescence Measurement,Chemiluminescent Assay,Chemiluminescent Measurement,Chemoluminescence Measurement,Luminescence Measurement,Luminescent Assay,Luminescent Measurement,Luminescent Technique,Measurement, Bioluminescence,Measurement, Bioluminescent,Measurement, Chemiluminescence,Measurement, Chemiluminescent,Measurement, Chemoluminescence,Measurement, Luminescence,Measurement, Luminescent,Measurement, Phosphorescence,Measurement, Phosphorescent,Measurements, Bioluminescence,Measurements, Bioluminescent,Measurements, Chemiluminescence,Measurements, Chemiluminescent,Measurements, Chemoluminescence,Measurements, Luminescence,Measurements, Luminescent,Measurements, Phosphorescence,Measurements, Phosphorescent,Phosphorescence Measurement,Phosphorescent Assay,Phosphorescent Measurement,Technique, Luminescent,Techniques, Luminescent
D010084 Oxidation-Reduction A chemical reaction in which an electron is transferred from one molecule to another. The electron-donating molecule is the reducing agent or reductant; the electron-accepting molecule is the oxidizing agent or oxidant. Reducing and oxidizing agents function as conjugate reductant-oxidant pairs or redox pairs (Lehninger, Principles of Biochemistry, 1982, p471). Redox,Oxidation Reduction
D010777 Photochemistry A branch of physical chemistry which studies chemical reactions, isomerization and physical behavior that may occur under the influence of visible and/or ultraviolet light. Photochemistries
D011084 Polycyclic Aromatic Hydrocarbons Aromatic hydrocarbons that contain extended fused-ring structures. Polycyclic Aromatic Hydrocarbon,Polycyclic Hydrocarbons, Aromatic,Polynuclear Aromatic Hydrocarbon,Polynuclear Aromatic Hydrocarbons,Aromatic Hydrocarbon, Polycyclic,Aromatic Hydrocarbon, Polynuclear,Aromatic Hydrocarbons, Polycyclic,Aromatic Hydrocarbons, Polynuclear,Aromatic Polycyclic Hydrocarbons,Hydrocarbon, Polycyclic Aromatic,Hydrocarbon, Polynuclear Aromatic,Hydrocarbons, Aromatic Polycyclic,Hydrocarbons, Polycyclic Aromatic,Hydrocarbons, Polynuclear Aromatic
D013472 Sunlight Irradiation directly from the sun. Sunshine
D013997 Time Factors Elements of limited time intervals, contributing to particular results or situations. Time Series,Factor, Time,Time Factor
D014733 Vibrio A genus of VIBRIONACEAE, made up of short, slightly curved, motile, gram-negative rods. Various species produce cholera and other gastrointestinal disorders as well as abortion in sheep and cattle. Beneckea
D021281 Quantitative Structure-Activity Relationship A quantitative prediction of the biological, ecotoxicological or pharmaceutical activity of a molecule. It is based upon structure and activity information gathered from a series of similar compounds. Structure Activity Relationship, Quantitative,3D-QSAR,QSAR,QSPR Modeling,Quantitative Structure Property Relationship,3D QSAR,3D-QSARs,Modeling, QSPR,Quantitative Structure Activity Relationship,Quantitative Structure-Activity Relationships,Relationship, Quantitative Structure-Activity,Relationships, Quantitative Structure-Activity,Structure-Activity Relationship, Quantitative,Structure-Activity Relationships, Quantitative
D029064 Araceae A plant family of the order ALISMATALES. Many members contain OXALIC ACID and calcium oxalate (OXALATES). Cabbage, Skunk,Dracunculus Plant,Lettuce, Water,Lysichiton,Monstera,Orontium,Pistia,Skunk Cabbage,Symplocarpus,Aroideae,Aroids,Pistia stratiotes,Rhaphidophora,Aroid,Cabbages, Skunk,Dracunculus Plants,Lettuces, Water,Lysichitons,Monsteras,Orontiums,Pistia stratiote,Pistias,Plant, Dracunculus,Plants, Dracunculus,Rhaphidophoras,Skunk Cabbages,Water Lettuce,Water Lettuces,stratiote, Pistia

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