A comparative study on the cucurbit[7]uril-based indicator displacement assay for methyl Viologen. A theoretical and experimental perspective

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dc.article.number134
dc.catalogadorvzp
dc.contributor.authorPavez Guerrero, Paulina
dc.contributor.authorFierro Huerta, Angelica Maria
dc.contributor.authorRojas Guerrero, Mabel Natalia
dc.contributor.authorGarcia-Rio, Luis
dc.contributor.authorDinamarca-Villarroel, Luis
dc.contributor.authorFuentealba Patino, Denis Alberto
dc.contributor.authorDroguett Muñoz, Kevin Arturo
dc.contributor.authorSantos Blanco, José Guillermo
dc.contributor.authorAliaga Miranda, Margarita Elly
dc.date.accessioned2024-04-15T08:00:18Z
dc.date.available2024-04-15T08:00:18Z
dc.description.abstractOne colorimetric and one fluorescent-indicator displacement assay (IDA) were studied to assess their interaction with methyl viologen (MV), an herbicide commercially known as paraquat. The host–guest complexes formed by cucurbit[7]uril (CB[7]) and the 4-nitroaniline (NA) or Berberine (Be) dyes function as colorimetric- and fluorescent-IDA for MV, respectively. The CB[7]@NA and CB[7]@Be complexes were characterized by UV–vis, fluorescence spectroscopy, and dynamic simulations. Isothermal titration calorimetry (ITC) experiments and dynamic simulations were employed to obtain thermodynamic data for the formation of the 1:1 inclusion complexes. Finally, NA is proposed as a reference colorimetric dye for determining CB[7]-binding affinities using competitive host–guest titrations, and the fluorescent-IDA as the best assay proposed, as it exhibits a high binding constant, a good detection limit of 2.7 × 10−6 mol L-1, good linearity in the range from 4 × 10−6 mol L-1 to 3.5 × 10−5 mol L-1, in aqueous solution.
dc.description.funderFONDEQUIP
dc.description.funderFONDECYT
dc.description.funderANID
dc.format.extent32 páginas
dc.fuente.origenScopus
dc.identifier.doi10.1002/poc.4581
dc.identifier.eissn1538-4357
dc.identifier.issn08943230
dc.identifier.pubmedidMEDLINE:34444039
dc.identifier.scopusidSCOPUS_ID:85178247799
dc.identifier.urihttps://doi.org/10.1002/poc.4581
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/85069
dc.identifier.wosidWOS:001047913900001
dc.information.autorucEscuela de Química; Pávez Guerrero, Paulina; 0000-0002-8891-3802; 7091
dc.information.autorucEscuela de Química; Fierro Huerta, Angelica María; 0000-0002-6507-4188; 218137
dc.information.autorucEscuela de Química; Rojas Guerrero, Mabel Natalia; 0000-0002-3862-3305; 186637
dc.information.autorucEscuela de Química; Fuentealba Patino, Denis Alberto; 0000-0003-4798-7204; 160255
dc.information.autorucEscuela de Química; Droguett Muñoz, Kevin Arturo; ; 247052
dc.information.autorucEscuela de Química; Santos Blanco, José Guillermo; S/I; 98813
dc.information.autorucEscuela de Química; Aliaga Miranda, Margarita Elly; 0000-0002-4143-0301; 13361
dc.issue.numero16
dc.language.isoen
dc.nota.accesoContenido parcial
dc.pagina.final201
dc.pagina.inicio184
dc.revistaJournal of Physical Organic Chemistry
dc.rightsacceso restringido
dc.subject4-nitroaniline dye
dc.subjectBerberine dye
dc.subjectCucurbit[7]uril-IDA assays for methyl viologen
dc.subjectMolecular dynamic
dc.subjectThermodynamically feasible interactions
dc.subject.ddc510
dc.subject.deweyMatemática física y químicaes_ES
dc.titleA comparative study on the cucurbit[7]uril-based indicator displacement assay for methyl Viologen. A theoretical and experimental perspective
dc.typeartículo
dc.volumen13
sipa.codpersvinculados7091
sipa.codpersvinculados218137
sipa.codpersvinculados186637
sipa.codpersvinculados160255
sipa.codpersvinculados247052
sipa.codpersvinculados98813
sipa.codpersvinculados13361
sipa.indexScopus
sipa.trazabilidadSCOPUS;2023-12-10
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