Quantitative structure-activity relationships and mixture toxicity studies of chloro- and alkylanilines at an acute lethal toxicity level to the guppy (Poecilia reticulata)

Hermens, Joop L. M.; Leeuwangh, Peter; Musch, Aalt

doi:10.1016/0147-6513(84)90007-1

Cited by 117 publications

(41 citation statements)

References 13 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…The acute mortality to the guppy (K6nemann, 1981) and to Daphnia magna (Hermens et al, 1984a) of mixtures of 50 non-reactive, non-ionized organic chemicals, related in action to the volatile anaesthetics, could be predicted successfully with this concentration addition model. Also in mixtures of chlorophenols (Kfnemann, 1981) and anilines (Hermens et al, 1984b), the joint acute mortality was concentration additive. Only in experiments with inhibition of reproduction of Daphnia magna as the type of effect, slight deviations from concentration-addition were found (Hermens et al, as an indication of similarity of mode of action.…”

Section: Introductionmentioning

confidence: 99%

Joint effects of a mixture of 14 chemicals on mortality and inhibition of reproduction of Daphnia magna

et al. 1984

Self Cite

View full text Add to dashboard Cite

The toxicity to Daphnia magna of a mixture of 14 aquatic pollutants with several chemical structures and probable modes of action was determined. The joint effect of this mixture on acute mortality was compared with the effects on inhibition of reproduction. The joint toxicity in the reproduction test was lower in comparison with the mortality test. This study supports the idea that the potential for addition is reduced when more specific sublethal toxicity criteria are studied. Although the joint toxicity at sublethal level is lower than at lethal level, the toxicity of the mixtures remains much higher than that of the individual chemicals and is still near concentration addition.

show abstract

Section: Introductionmentioning

confidence: 99%

Joint effects of a mixture of 14 chemicals on mortality and inhibition of reproduction of Daphnia magna

et al. 1984

Self Cite

View full text Add to dashboard Cite

show abstract

“…These effects can be added with each other independently to form different linear or non-linear Hansch mod- els [24,25] , which were widely used to establish QSAR models [26,27] .…”

Section: Principles and Methods Of (Q)sarsmentioning

confidence: 99%

“…In the field of environmental science or engineering, (Q)SAR study mainly concentrated on exposure assessment (transfer and transformation of organic pollutions in multimedia environment) and effect assessment (mainly ecotoxicological effects). Some early QSAR models mainly focused on properties related with environmental partitioning (such as S W [28,29] , K OW [30,31,42] , bioconcentration factors (BCF) [43] , octanol-air partition coefficients (K OA ) [44,45] and soil or sediment adsorption coefficients (K OC ) [46,47] ) and acute toxicity to aquatic organisms (median lethal concentration (LC 50 ) [48] or median effect concentration (EC 50 ) [49] ). Later, QSARs studies were extended to environmental endocrine disruptor activity [50 -52] , and reaction kinetics of organic pollutants, such as biodegradability [53] , photolysis rate constants [54] or quantum yields [17,18] , reduction rate constants by zero-valent iron [15] , oxidation rate constants by hydroxyl radicals [16] , etc.…”

Section: Development Of (Q)sarsmentioning

confidence: 99%

Progress and perspectives of quantitative structure-activity relationships used for ecological risk assessment of toxic organic compounds

Chen

et al. 2008

Sci. China Ser. B-Chem.

View full text Add to dashboard Cite

Structure-activity relationship (SAR) and quantitative structure-activity relationship (QSAR), collectively referred to as (Q)SARs, play an important role in ecological risk assessment (ERA) of organic chemicals. (Q)SARs can fill the data gap for physical-chemical, environmental behavioral and ecotoxicological parameters of organic compounds; they can decrease experimental expenses and reduce the extent of experimental testing (especially animal testing); they can also be used to assess the uncertainty of the experimental data. With the development for several decades, (Q)SARs in environmental sciences show three features: application orientation, multidisciplinary integration, and intelligence. Progress of (Q)SAR technology for ERA of toxic organic compounds, including endpoint selection and mathematic methods for establishing simple, transparent, easily interpretable and portable (Q)SAR models, is reviewed. The recent development on defining application domains and diagnosing outliers is summarized. Model characterization with respect to goodness-of-fit, stability and predictive power is specially presented. The purpose of the review is to promote the development of (Q)SARs orientated to ERA of organic chemicals.(Q)SARs, ecological risk assessment, application domain, stability, predictive power

show abstract

“…The toxicity of the nitroanilines studied is best described by a QSAR for chloroanilines published by Hermens et al (1984). Therefore it seems likely that these compounds should be considered as aniline derivatives.…”

Section: Bioconcentration Datamentioning

confidence: 99%

“…Since these substances are only very weak bases, it seems unlikely that ionization plays any role under the circumstances at which the toxicity tests were conducted. Their toxicity can be much better described by the QSAR for alkyl-and chloro-anilines as published by Hermens et al (1984), given in Equation 3.…”

Section: Toxicity Data and Bioconcentration Factorsmentioning

confidence: 99%

Quantitative structure-activity relationships for the toxicity and bioconcentration factor of nitrobenzene derivatives towards the guppy (Poecilia reticulata)

et al. 1987

View full text Add to dashboard Cite

The acute toxicity and bioconcentration factor of a series of nitrobenzene derivatives was determined for the guppy. Toxicity is found to be determined by both hydrophobicity (expressed by the octanol/water partition coefficient) and rate of reduction of the nitro group (expressed by either electrochemical halfwave reduction potential or Hammett a values). The acute toxicity of mononitro compounds can be adequately described by hydrophobicity, and their bioconcentration factor is found to be approximately equal to the octanol/water partition coefficient. The dinitro compounds that are likely to be most easily reduced are found to have substantially lower bioconcentration factors than expected, accompanied by a marked increase in toxicity. Electrochemical reduction potentials are found to be a better descriptor of toxicity than Hammett a-values. Nitroanilines do not fit the QSARs established for nitrobenzene derivatives. These compounds are probably to be considered aniline derivatives.

show abstract

Quantitative structure-activity relationships and mixture toxicity studies of chloro- and alkylanilines at an acute lethal toxicity level to the guppy (Poecilia reticulata)

Cited by 117 publications

References 13 publications

Joint effects of a mixture of 14 chemicals on mortality and inhibition of reproduction of Daphnia magna

Joint effects of a mixture of 14 chemicals on mortality and inhibition of reproduction of Daphnia magna

Progress and perspectives of quantitative structure-activity relationships used for ecological risk assessment of toxic organic compounds

Quantitative structure-activity relationships for the toxicity and bioconcentration factor of nitrobenzene derivatives towards the guppy (Poecilia reticulata)

Contact Info

Product

Resources

About