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dc.contributor.authorLiu, Xiangli
dc.contributor.authorAghamohammadi, Amin
dc.contributor.authorAfarinkia, Kamyar
dc.contributor.authorAbraham, R.J.
dc.contributor.authorAcree, W.E. Jr
dc.contributor.authorAbraham, M.H.
dc.date.accessioned2021-03-15T14:17:23Z
dc.date.accessioned2021-03-22T09:24:59Z
dc.date.available2021-03-15T14:17:23Z
dc.date.available2021-03-22T09:24:59Z
dc.date.issued2021-06-15
dc.identifier.citationLiu X, Aghamohammadi A, Afarinkia K et al (2021) Descriptors for Edaravone; Studies on its Structure, and Prediction of Properties. Journal of Molecular Liquids. 332: 115821.en_US
dc.identifier.urihttp://hdl.handle.net/10454/18403
dc.descriptionYesen_US
dc.description.abstractLiterature solubilities and NMR and IR studies have been used to obtain properties or descriptors of edaravone. These show that edaravone has a significant hydrogen bond acidity so that it must exist in solution partly as the OH and NH forms, as found by Freyer et al. Descriptors have been assigned to the keto form which has a low hydrogen bond acidity, and which is the dominant form in nonpolar solvents. Physicochemical properties of the keto form can be been calculated such as solubilities in nonpolar solvents, partition coefficients from water to nonpolar solvents, and partition coefficients from air to biological phases.en_US
dc.language.isoenen_US
dc.relation.isreferencedbyhttps://doi.org/10.1016/j.molliq.2021.115821en_US
dc.rights© 2021 Elsevier. Reproduced in accordance with the publisher's self-archiving policy. This manuscript version is made available under the CC-BY-NC-ND 4.0 license (https://creativecommons.org/licenses/by-nc-nd/4.0/)en_US
dc.subjectEdaravoneen_US
dc.subjectSolubilityen_US
dc.subjectAbraham descriptorsen_US
dc.subjectHydrogen bond acidityen_US
dc.subjectNMRen_US
dc.subjectIRen_US
dc.titleDescriptors for Edaravone; Studies on its Structure, and Prediction of Propertiesen_US
dc.status.refereedYesen_US
dc.date.Accepted2021-02-27
dc.date.application2021-03-03
dc.typeArticleen_US
dc.date.EndofEmbargo2022-03-03
dc.type.versionAccepted manuscripten_US
dc.description.publicnotesThe full-text of this article will be released for public view at the end of the publisher embargo on 3 Mar 2022.en_US
dc.date.updated2021-03-15T14:17:35Z
refterms.dateFOA2021-03-22T09:26:12Z
dc.openaccess.statusGreenen_US


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