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Joint effects of nine antidepressants on Raphidocelis subcapitata and Skeletonema marinoi : a matter of amine functional groups ArchiMer
Minguez, Laetitia; Bureau, Ronan; Halm-lemeille, Marie-pierre.
Antidepressants are among the most prescribed pharmaceuticals throughout the world. Their presence has already been detected in several aquatic ecosystems worldwide and their effects on non-target organisms justify the growing concern of both the public and regulatory authorities. These emerging pollutants do not occur as isolated compounds but rather as multi-component mixtures, which may lead to increased adverse effects compared to individual compounds. Freshwater and marine algae seem particularly sensitive to pharmaceuticals, including antidepressants. Studies assessing the toxicity of antidepressant mixture to algae focused mainly on binary mixtures of selective serotonin reuptake inhibitors. In the present experiment, the freshwater algae...
Tipo: Text Palavras-chave: Green algae; Diatom; Mixture; Pharmaceutical; QSAR.
Ano: 2018 URL: https://archimer.ifremer.fr/doc/00423/53429/54315.pdf
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QSAR studies on di(hetero)arylamines derivatives of benzo[b]thiophenes as free radical scavengers IPB - Escola Superior Agrária
Abreu, Rui M.V.; Ferreira, Isabel C.F.R.; Queiroz, Maria João R.P..
A QSAR study was developed in order to model the antioxidant activity, specifically the radical scavenger activity (RSA), of 26 di(hetero)arylamines’ derivatives of benzo[b]thiophenes. The QSAR model was constructed, using the partial least squares projection of latent structures (PLS) method, and its robustness and predictability were verified by internal and external cross-validation methods. A total of 4 molecular descriptors, belonging to RDF (Radial Distribution Function) descriptors (RDF020e and RDF045e) and 2D-autocorrelation descriptors (GATS8p and MATS5e) were selected to build the QSAR model. RDF descriptors seem to relate the presence of electronegative atoms at the inner atmosphere of the compounds to increase RSA. 2D-Autocorrelation...
Tipo: Article Palavras-chave: Benzo[b]thiophenes; Di(hetero)arylamines; Antioxidants; QSAR; PLS.
Ano: 2009 URL: http://hdl.handle.net/10198/2649
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