Quantitative structure-activity relationships in fish toxicity studies Part 2: The influence of pH on the QSAR of chlorophenols

Könemann, Hans; Musch, Aalt

doi:10.1016/0300-483x(81)90131-1

Cited by 127 publications

(43 citation statements)

References 12 publications

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“…(1) (Fig. 2): log LC50 = -0.94 logP + 0.94 log (0.000068 logP + 1) -1.25 (1) (r2 = 0.9936) Similar relationships with the guppy (33) and Daphnia magna (34) have been reported as well. Also presented in Figures 1 and 2 is the relationship between water solubility and log P, which delineates the "aquatic toxicity space" as that region below water solubility; i.e., acute toxicity cannot be measured under equilibrium conditions at concentrations greater than aqueous solubility (25).…”

Section: Predictive Toxicology Andsupporting

confidence: 65%

Fish acute toxicity syndromes and their use in the QSAR approach to hazard assessment.

McKim

Bradbury

Niemi

1987

Environ Health Perspect

179

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Implementation of the Toxic Substances Control Act of 1977 creates the need to reliably establish testing priorities because laboratory resources are limited and the number of industrial chemicals requiring evaluation is overwhelming. The use of quantitative structure activity relationship (QSAR) models as rapid and predictive screening tools to select more potentially hazardous chemicals for in-depth laboratory evaluation has been proposed. Further implementation and refinement of quantitative structure-toxicity relationships in aquatic toxicology and hazard assessment requires the development of a "mode-of-action" database. With such a database, a qualitative structure-activity relationship can be formulated to assign the proper mode of action, and respective QSAR, to a given chemical structure. In this review, the development of fish acute toxicity syndromes (FATS), which are toxic-response sets based on various behavioral and physiological-biochemical measurements, and their projected use in the mode-of-action database are outlined. Using behavioral parameters monitored in the fathead minnow during acute toxicity testing, FATS associated with acetylcholinesterase (AChE) inhibitors and narcotics could be reliably predicted. However, compounds classified as oxidative phosphorylation uncouplers or stimulants could not be resolved. Refinement of this approach by using respiratory-cardiovascular responses in the rainbow trout, enabled FATS associated with AChE inhibitors, convulsants, narcotics, respiratory blockers, respiratory membrane irritants, and uncouplers to be correctly predicted.

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Section: Predictive Toxicology Andsupporting

confidence: 65%

Fish acute toxicity syndromes and their use in the QSAR approach to hazard assessment.

McKim

Bradbury

Niemi

1987

Environ Health Perspect

179

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“…This method, used earlier by K6nemann (1981b) and K6nemann and Musch (1981), among others, was found to give quite satisfactory Poet values for application in QSARs. The experiments with mixtures were carried out under the,same conditions as the experiments with the separate chemicals.…”

Section: Methodsmentioning

confidence: 69%

Quantitative structure-activity relationships and toxicity studies of mixtures of chemicals with anaesthetic potency: Acute lethal and sublethal toxicity to Daphnia magna

Hermens

Canton

Janssen³

et al. 1984

Aquatic Toxicology

193

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In this study quantitative structure-activity relationships (QSARs) were calculated between hydrophobicity of a group of organic chemicals with anaesthetic potency and toxicity (immobilization, mortality and inhibition of reproduction) to Daphnia magna. Differences in slopes of the high quality QSARs might be explained in terms of possible different sites of action for the three criteria of effect.The combined effects of mixtures of 5-50 chemicals on immobilization and mortality did not deviate from additivity, while the effect on reproduction deviated somewhat from it.

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“…We wanted to choose an exposure concentration that was high enough to cause some effects, but low enough to avoid mass mortality of worms or bacteria. A LC 50 for AC was calculated from a Quantitative Structure Activity Relationship according to Salvito et al (2002) modified after Könemann (1981): LC 50 = 0.1 (0.871 × logKow + 1.13) × mol wt × 10 6 . This gives a LC 50 of 179.2 μg l −1 for AC (mol wt = 246.4 g mol −1 ; log K ow (mean) = 5.75).…”

Section: Sediment Spikingmentioning

confidence: 99%

Investigation of the fate and effects of acetyl cedrene on Capitella teleta and sediment bacterial community

et al. 2010

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"Investigation of the fate and effects of acetyl cedrene on Capitella teleta and sediment bacterial community" (2010). Valery Forbes Publications. 10. http://digitalcommons.unl.edu/biosciforbes/10 AbstractThe fate of the fragrance material, acetyl cedrene (AC), in sediment was examined in a 16 day laboratory experiment using the sediment microbial community subjected to the following treatments: AC (nominal concentration; 0 and 50 μg g −1 dw sediment) and macrofaunal worms (with/without Capitella teleta (formerly Capitella sp. I)). Furthermore effects of AC on microbial respiration in the system were determined by examining CO 2 flux. T-RFLP (terminal restriction fragment length polymorphism) was used to analyze PCR (polymerase chain reaction) amplified 16S DNA gene fragments from the sediments to detect changes in the structure and diversity of the bacterial community. In addition, survival of C. teleta in sediment was determined. Lastly, we examined how the interactions between microbes and C. teleta in the sediment affected the above-mentioned parameters. The results showed that there was an interaction between worm treatment and time of sampling on the loss of AC from the sediment. This was caused by AC loss initially being fastest in the sediment with C. teleta present, but at experimental termination there was no significant difference between the two treatments (i.e., with/ without worms) in the amount of AC remaining in the sediment. Survival of C. teleta was significantly reduced by AC at experimental termination, but neither microbial respiration nor structure and diversity of the bacterial community were significantly affected.

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Quantitative structure-activity relationships in fish toxicity studies Part 2: The influence of pH on the QSAR of chlorophenols

Cited by 127 publications

References 12 publications

Fish acute toxicity syndromes and their use in the QSAR approach to hazard assessment.

Fish acute toxicity syndromes and their use in the QSAR approach to hazard assessment.

Quantitative structure-activity relationships and toxicity studies of mixtures of chemicals with anaesthetic potency: Acute lethal and sublethal toxicity to Daphnia magna

Investigation of the fate and effects of acetyl cedrene on Capitella teleta and sediment bacterial community

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