A Best​ Comprehension About The Toxicity Of Phenylsulfonyl Carboxylates In Vibrio Fischeri Using Quantitative Structure Activity/property Relationship Methods.

dc.creatorde Melo, Eduardo Borges
dc.creatorMartins, João Paulo Athaíde
dc.creatorMiranda, Eduardo Hösel
dc.creatorFerreira, Márcia Miguel Castro
dc.date2016-Mar
dc.date2016-05-23T19:40:20Z
dc.date2016-05-23T19:40:20Z
dc.date.accessioned2018-03-29T01:27:54Z
dc.date.available2018-03-29T01:27:54Z
dc.identifierJournal Of Hazardous Materials. v. 304, p. 233-241, 2016-Mar.
dc.identifier1873-3336
dc.identifier10.1016/j.jhazmat.2015.10.047
dc.identifierhttp://www.ncbi.nlm.nih.gov/pubmed/26551227
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/235265
dc.identifier26551227
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1303508
dc.descriptionAromatic sulfones comprise a class of chemicals used in agrochemical and pharmaceutical industries and as floatation and extractant agents in petrochemical and metallurgy industries. In this study, new QSA(P)R studies were carried out to predict the toxicity against Vibrio fischeri of a set of 52 aromatic sulfones. The same approach was used to evaluate the relationship between these endpoint and the water solubility, another important environmental endpoint. The study resulted in models of good statistical quality and mechanistic interpretation with a possible correlation between the two endpoints, but the toxic effect is also likely to depend on other physicochemical properties. The use of the PLS2, a method not commonly used in QSA(P)R studies, also produced models of greater reliability, and the relationship between the two endpoints was reinforced to some degree. These results are useful for better understanding the process by which these compounds exert their environmental toxicity, thus aiding in the development of industrially useful compounds with less potential environmental damage.
dc.description304
dc.description233-241
dc.languageeng
dc.relationJournal Of Hazardous Materials
dc.relationJ. Hazard. Mater.
dc.rightsembargo
dc.sourcePubMed
dc.subjectAquatic Toxicity
dc.subjectEnvironmental Risk
dc.subjectPartial Least Squares
dc.subjectQuantitative Structure-activity Relationships
dc.subjectWater Solubility
dc.titleA Best​ Comprehension About The Toxicity Of Phenylsulfonyl Carboxylates In Vibrio Fischeri Using Quantitative Structure Activity/property Relationship Methods.
dc.typeArtículos de revistas


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