English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/86347
Share/Impact:
Statistics
logo share SHARE   Add this article to your Mendeley library MendeleyBASE
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Exportar a otros formatos:
Title

Electrochemical, ESR and theoretical insights into the free radical generation by 1,1'-hydrocarbylenebisindazoles and its evaluation as potential bio-active compounds

AuthorsAguilera-Venegas, Benjamín; Olea-Azar, Claudio A.; Arán, Vicente J. ; Maya, Juan D.; Kemmerling, U.; Speisky, H.; Mendizábal, F.
Issue Date2012
PublisherElectrochemical Science Group
CitationInternational Journal of Electrochemical Science 7: 5837- 5863 (2012)
AbstractA comprehensive multidisciplinary study is conducted here in order to assess the electrochemical behavior of a series of 1,1'-hydrocarbylenebisindazoles derivatives and its potential use as anti-T.cruzi drugs. At first, we have determined the electrochemical reduction mechanisms of this family by cyclic voltammetry (CV) studies, from which three kind of reduction mechanisms -depending on the substituent at positions 3 and 3'- were established, but sharing a first common step corresponding to the generation of a nitro anion radical, which was corroborated by ESR spectroscopy, showing a comparable hyperfine splitting pattern and a strong influence on the ESR spectral linewidths due to the radical-solvent interactions. Furthermore, in order to give a rational description about the electrochemical and ESR results, open- and closed-shell structures of bisindasoles were subjected to theoretical estimations at different levels of theory. For open-shell structures, the hyperfine splitting patterns were confirmed while for the closed-shell systems case, clear evidence about the electrochemical reactivity -in terms of their frontiers orbitals- were obtained. To conclude, all these compounds were assayed as growth inhibitors against T.cruzi, from which some degree of activity was observed for this family, highlighting a compound almost as active as the reference drug. Finally, in order to get some information about the potential action mechanisms involved in the trypanocidal activity, molecular modeling and spin trapping studies were also done © 2012 by ESG.
URIhttp://hdl.handle.net/10261/86347
ISSN1452-3981
Appears in Collections:(IQM) Artículos
Files in This Item:
File Description SizeFormat 
accesoRestringido.pdf15,38 kBAdobe PDFThumbnail
View/Open
Show full item record
Review this work
 


WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.