1. Dipòsit Digital de la Universitat de Barcelona
  2. Recerca
  3. Ciència dels Materials i Química Física
  4. Articles publicats en revistes (Ciència dels Materials i Química Física)
Please use this identifier to cite or link to this item: http://hdl.handle.net/2445/143166
Full metadata record
DC FieldValueLanguage
dc.contributor.authorTobiszewski, Marek-
dc.contributor.authorNedyalkova, Miroslava-
dc.contributor.authorMadurga Díez, Sergio-
dc.contributor.authorPena-Pereira, Francisco-
dc.contributor.authorNamieśnik, Jacek-
dc.contributor.authorSimeonov, Vasil-
dc.date.accessioned2019-10-25T10:29:52Z-
dc.date.available2020-01-01T06:10:19Z-
dc.date.issued2018-01-01-
dc.identifier.issn0147-6513-
dc.identifier.urihttp://hdl.handle.net/2445/143166-
dc.description.abstractThe study presents the result of the application of chemometric tools for selection of physicochemical parameters of solvents for predicting missing variables - bioconcentration factors, water-octanol and octanol-air partitioning constants. EPI Suite software was successfully applied to predict missing values for solvents commonly considered as 'green'. Values for logBCF, logKOW and logKOA were modelled for 43 rather nonpolar solvents and 69 polar ones. Application of multivariate statistics was also proved to be useful in the assessment of the obtained modelling results. The presented approach can be one of the first steps and support tools in the assessment of chemicals in terms of their greenness.-
dc.format.extent7 p.-
dc.format.mimetypeapplication/pdf-
dc.language.isoeng-
dc.publisherElsevier-
dc.relation.isformatofVersió postprint del document publicat a: https://doi.org/10.1016/j.ecoenv.2017.08.057-
dc.relation.ispartofEcotoxicology and Environmental Safety, 2018, vol. 147, p. 292-298-
dc.relation.urihttps://doi.org/10.1016/j.ecoenv.2017.08.057-
dc.rightscc-by-nc-nd (c) Elsevier, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es-
dc.sourceArticles publicats en revistes (Ciència dels Materials i Química Física)-
dc.subject.classificationQuímica verda-
dc.subject.classificationQuimiometria-
dc.subject.classificationDissolvents-
dc.subject.otherGreen chemistry-
dc.subject.otherChemometrics-
dc.subject.otherSolvents-
dc.titlePre-selection and assessment of green organic solvents by clustering chemometric tools-
dc.typeinfo:eu-repo/semantics/article-
dc.typeinfo:eu-repo/semantics/acceptedVersion-
dc.identifier.idgrec682364-
dc.date.updated2019-10-25T10:29:53Z-
dc.relation.projectIDinfo:eu-repo/grantAgreement/EC/H2020/692146/EU//Materials Networking-
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess-
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)

Files in This Item:
File Description SizeFormat 
682364.pdf600.13 kBAdobe PDFView/Open
Show simple item record


This item is licensed under a Creative Commons License Creative Commons