Electrochemical, ESR and theoretical insights into the free radical generation by 1,1'-hydrocarbylenebisindazoles and its evaluation as potential bio-active compounds
Author
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Aguilera Venegas, Benjamín
Author
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Olea Azar, Claudio
Author
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Arán, Vicente J.
Author
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Maya Arango, Juan
Author
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Kemmerling Weis, Ulrike
Author
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Speisky Cosoy, Hernán
Author
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Mendizábal Emaldía, Fernando
Admission date
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2018-12-20T15:10:52Z
Available date
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2018-12-20T15:10:52Z
Publication date
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2012
Cita de ítem
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International Journal of Electrochemical Science, Volumen 7, Issue 7, 2018, Pages 5837-5863
Identifier
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14523981
Identifier
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https://repositorio.uchile.cl/handle/2250/158283
Abstract
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A 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 patt
Electrochemical, ESR and theoretical insights into the free radical generation by 1,1'-hydrocarbylenebisindazoles and its evaluation as potential bio-active compounds