Insubria QSAR PaDEL-Descriptor model for prediction of Esters toxicity in Daphnia magna 1.2.Other related models: E.Papa, F. Battaini, P.Gramatica. Ranking of aquatic toxicity of esters modelled by QSAR, Chemosphere (58), 2005, 559-570.[9] 1.3.Software coding the model: [1]PaDEL-Descriptor 2.18 A software to calculate molecular descriptors and fingerprints http://padel.nus.edu.sg/software/padel...

The growing use of nanoparticles in a wide range of products has resulted in their release into the aquatic environment; therefore, an understanding of the toxic effects of nanoparticles on aquatic organisms is of permanent importance. The aim of this study was to evaluate the toxicity of silver and platinum nanoparticles toward the freshwater microalga, Pseudokirchneriella subcapitata. Algal g...

The aim of this study was to assess the potential of a human cell line containing the hsp70 promoter linked to the chloramphenicol acetyltransferase reporter gene in evaluating the toxic potential of complex mixtures. Cells were exposed to eluates of industrial wastes and the cellular responses were compared with the metal contents of the samples and with standardized aquatic (microalgal growth...

Hierarchical quantitative structure-activity relationships (H-QSAR) have been developed as a new approach in constructing models for estimating physicochemical, biomedicinal, and toxicological properties of interest. This approach uses increasingly more complex molecular descriptors in a graduated approach to model building. In this study, statistical and neural network methods have been applie...

Laboratory tests of fipronil and its degradation products have revealed acute lethal toxicity at very low concentrations (LC50) of <0.5 microg/L to selected aquatic macroinvertebrates. In streams draining basins with intensive rice cultivation in southwestern Louisiana, USA, concentrations of fipronil compounds were an order of magnitude larger than the LC50. The abundance (rho=-0.64; p=0.015) ...

Smectite clays demonstrate high affinities for nitroaromatics that strongly depend on the exchangeable cation. The K-smectites have high affinities for nitroaromatics, but Ca-smectites do not. Here we evaluate the ability of K-smectite to attenuate the bioavailability and hence toxicity of 2,4-dinitrotoluene (2,4-DNT) to the aquatic plant duckweed. In the absence of K-smectite, 2,4-DNT was high...

Clozapine (an atypical antipsychotic drug) is indicated in treatment-refractory schizophrenia. Antipsychotics have been reported to have cardiotoxic effects in humans.The zebra fish (Danio rerio) is a tropical cyprinid used in toxicological research. In the present study, the toxicity of clozapine was evaluated in zebra fish embryos with the aid of the fish embryo toxicity test (FET). The endpo...

This study demonstrates the acute toxicity of lanthanum oxide nanoparticles (La2O3 NP) on two sentinel aquatic species, fresh-water microalgae Chlorella sp. and the crustacean Daphnia magna. The morphology, size and charge of the nanoparticles were systematically studied. The algal growth inhibition assay confirmed absence of toxic effects of La2O3 NP on Chlorella sp., even at higher concentrat...

Protocols for evaluating chemical toxicity at the cellular level using fish cell lines are described in this unit. Routine methodologies for growing salmonid cell lines, and using them in aquatic toxicology studies that support the mandate of the Organization for Economic Co-operation and Development (OECD) to reduce the use of whole animals in toxicity testing, are presented. Rapid, simple, co...

The risk to adjacent aquatic systems posed by leachates from scrap tires used in engineering applications has not been characterized adequately. Toxicity testing, toxicity identification evaluation (TIE), and groundwater modeling were used to determine the circumstances under which tire shreds could be used as roadbed fill with negligible risk to aquatic organisms in adjacent water bodies. Elev...