Acute toxicity of substituted biphenyls todaphnia magnaand quantitative structure‐activity relationship study
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Acute toxicities of 25 substituted biphenyls to Daphnia magna were determined. 18 tested chemicals exhibit toxicity. A Quantitative Structure‐Activity Relationship (QSAR) was developed as the following: It can be used to predict the toxicity of substituted biphenyls under this experimental condition. At the same time, it also showed that lipophilicity and polarizability may be of major importance in influencing the toxicity of these studied chemicals. Chemicals with higher log Kow and α have greater toxicity.Keywords:
Daphnia magna
Lipophilicity
Recently, some natural products have been used in the fields as alternative to synthetic compounds, to minimize the negative impacts to the environment. This study aimed to verify the effects of Neem-based bio-pesticide in causing acute toxicity for a fish and chronic toxicity for a microcrustacean. To this end, Danio rerio and Daphnia magna were exposed to various concentrations of a Neem-based oil formulation. In the first experiment, adults of D. rerio were exposed for 96 hours to different concentrations to determine the median lethal concentration (LC 50-96h ). For D. magna , first an acute toxicity test was performed to determine the median effective concentration (EC 50-48h ). Based on the EC 50 established in the acute test, the concentrations for the 21-day chronic toxicity test were determined. Endpoints evaluated were reproduction (number of neonates produced) and size of D. magna . The median lethal concentration for the fish was 0.22 mL L -1 , and the median effective concentration (EC 50 - 48h ) for D. magna was 0.17 mL L -1 . In the chronic test, all concentrations affected reproduction and size of D. magna . The formulation tested may be hazardous to aquatic organisms.
Daphnia magna
Chronic toxicity
Azadirachta
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To manage the use of chemicals,to predict the toxicity of unknown compounds is needed.A series of acute toxicity of environmental chemicals to fish is predicted by Quantitative structure-activity relationship(QSAR) method.The progress in QSAR research,methodology,mathematical modeling and molecular descriptors is reviewed.Finally,the octanol/water partition coefficient method is used to summarize the acute toxicity of 119 compounds to fish,which can provide significant value of predicting the acute toxicity of environmental chemicals.
Molecular descriptor
Aquatic toxicology
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The objective of the present study was to assess the predictive capacity of the acute Cu biotic ligand model (BLM) as applied to chronic Cu toxicity to Daphnia magna in freshwaters from Chile and synthetic laboratory-prepared waters. Samples from 20 freshwater bodies were taken, chemically characterized, and used in the acute Cu BLM to predict the 21-d chronic Cu toxicity for D. magna. The half-maximal effective concentration (EC50) values, determined using the Organisation for Economic Co-operation and Development (OECD) 21-d reproduction test (OECD Method 211), were compared with the BLM simulated EC50 values. The same EC50 comparison was performed with the results of 19 chronic tests in synthetic media, with a wide range of hardness and alkalinity and a fixed 2 mg/L dissolved organic carbon (DOC) concentration. The acute BLM was modified only by adjustment of the accumulation associated with 50% of an effect value (EA50). The modified BLM model was able to predict, within a factor of two, 95% of the 21-d EC50 and 89% of the 21-d half-maximal lethal concentrations (LC50) in natural waters, and 100% of the 21-d EC50 and 21-d LC50 in synthetic waters. The regulatory implications of using a slightly modified version of an acute BLM to predict chronic effects are discussed.
Daphnia magna
EC50
Biotic Ligand Model
Alkalinity
Chronic toxicity
Copper toxicity
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[Objective] The purpose was to discuss the acute toxicity effect of racemate of Peng-3 and its enantiomer on Daphina magna.[Method] The standard experiment animals Daphina magna was used to study the acute toxicity effect of O,O-dimethyl-1-(phenoxyacetoxy) ethylphosphonate on Daphina magna.[Result]The results showed that 48 h-LC50 of Rac-Peng3,Peng-3 pk1and Peng-3 pk2 for Daphnia magna were 0.274 1,0.368 5 and 0.262 3 mg/L,respectively.They were all high toxicity,but the difference of toxicity among them was not distinct.[Conclusion]This study will provide the scientific reference for the research on harm of aquatic organisms.
Daphnia magna
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The comparative molecular field analysis (CoMFA) method has been employed to correlate the apparent lipophilicity (logkw) and global lipophilicity (logP) for orthopramide derivatives. This study demonstrated that CoMFA is an excellent method in predicting the complex properties of molecules such as apparent lipophilicity (logkw) or lipophilicity (logP). The better predictability of lipophilicity by introducing logkw as an independent descriptor suggests that the HPLC capacity factor measured in a buffer of pH 7.5 (logkw) can be effectively utilized in the prediction of global lipophilicity.
Lipophilicity
Predictability
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Daphnia magna
Ecotoxicity
Biochemical oxygen demand
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Fluorination has become an effective tool to optimize physicochemical properties of bioactive compounds. One of the applications of fluorine introduction is to modulate the lipophilicity of the compound. In our group, we are interested in the study of the impact of fluorination on lipophilicity of aliphatic fluorohydrins and fluorinated carbohydrates. These are not UV-active, resulting in a challenging lipophilicity determination. Here, we present a straightforward method for the measurement of lipophilicity of fluorinated compounds by 19F NMR spectroscopy. This method requires no UV-activity. Accurate solute mass, solvent and aliquot volume are also not required to be measured. Using this method, we measured the lipophilicities of a large number of fluorinated alkanols and carbohydrates.
Lipophilicity
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By using the standard test methods in Experimental Guideline for Environmental Safety Evaluation of Chemical Pesticide to aquatic organisms, a comparative study was conducted on the acute toxicity of 39 nonionic, 6 anionic, and 3 cationic surfactants to Daphnia magna. The acute toxicity of three cationic surfactants 1427, 1227 and C8-10 to D. magna belonged to virulent level, and the toxicity of 1427 was the highest, with the EC50 value being 0.97 x 10(-2) mg x L(-1). The acute toxicity of nonionic surfactants polyoxyethylene ether castor oil EL, Tween, and Span emulsifiers belonged to low level, but the toxicity of alkylphenol polyoxyethylene ether and fatty alcohol polyoxyethylene ether surfactants was relatively high, of which, AEO-7 and AEO-5 displayed high toxicity, with the EC50 value being 0.82 and 0.97 mg x L(-1), respectively. In these surfactants, the more liposolubility, the higher the toxicity was. Most of the anionic surfactants were medium in toxicity, but the acute toxicity of NNO belonged to high toxicity, with the EC50 value being 0.17 mg x L(-1).
Daphnia magna
EC50
Cationic polymerization
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Daphnia magna
EC50
Viability assay
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Daphnia magna
Toxicant
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