Delving into the variability of supramolecular affinity: self-ion pairing as a central player in aqueous host-guest chemistry

The determination of binding constants is a key matter in evaluating the strength of host–guest interactions. However, the profound impact of self-ion pairing on this parameter is often underrated in aqueous solution, leading in some cases to a misinterpretation of the true potential of supramolecul...

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Detalles Bibliográficos
Autores: Gómez González, Borja, Basílio, Nuno, Vaz Araújo, Belén, Pérez Lorenzo, Moisés, García Río, Luis
Tipo de recurso: artículo
Fecha de publicación:2024
País:España
Institución:Universidad de Santiago de Compostela (USC)
Repositorio:Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
Idioma:inglés
OAI Identifier:oai:minerva.usc.gal:10347/44404
Acceso en línea:https://hdl.handle.net/10347/44404
Access Level:acceso abierto
Palabra clave:Host-Guest
Ion-Pairing
Macrocycle
Pillararene
Supramolecular Affinity
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spelling Delving into the variability of supramolecular affinity: self-ion pairing as a central player in aqueous host-guest chemistryGómez González, BorjaBasílio, NunoVaz Araújo, BelénPérez Lorenzo, MoisésGarcía Río, LuisHost-GuestIon-PairingMacrocyclePillarareneSupramolecular AffinityThe determination of binding constants is a key matter in evaluating the strength of host–guest interactions. However, the profound impact of self-ion pairing on this parameter is often underrated in aqueous solution, leading in some cases to a misinterpretation of the true potential of supramolecular assemblies. In the present study, we aim to shed further light on this critical factor by exploring the concentration-dependent behavior of a multicharged pillararene in water. Our observations reveal an extraordinary 1-million-fold variability in the affinity of this macrocycle toward a given anion, showcasing the highly dynamic character of electrostatic interactions. We argue that these findings bring to the forefront the inherent determinism that underlies the estimation of affinity constants, a factor profoundly shaped by both the sensitivity of the instrumental technique in use and the intricacies of the experimental design itself. In terms of applications, these results may provide the opportunity to optimize the operational concentrations of multicharged hosts in different scenarios, aiming to achieve their maximum efficiency based on the intended application. Unlocking the potential of this hidden variability may pave the way for the creation of novel molecular materials with advanced functionalitiesWileyUniversidade de Santiago de Compostela. Departamento de Química Física20242024-02-0520242024-02-05journal articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/10347/44404reponame:Minerva. Repositorio Institucional de la Universidad de Santiago de Compostelainstname:Universidad de Santiago de Compostela (USC)InglésengAgencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 PID2020-113704RB-I00open accesshttp://purl.org/coar/access_right/c_abf2© 2023 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution-NonCommercial-NoDerivs Licensehttp://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessoai:minerva.usc.gal:10347/444042026-06-15T12:47:27Z
dc.title.none.fl_str_mv Delving into the variability of supramolecular affinity: self-ion pairing as a central player in aqueous host-guest chemistry
title Delving into the variability of supramolecular affinity: self-ion pairing as a central player in aqueous host-guest chemistry
spellingShingle Delving into the variability of supramolecular affinity: self-ion pairing as a central player in aqueous host-guest chemistry
Gómez González, Borja
Host-Guest
Ion-Pairing
Macrocycle
Pillararene
Supramolecular Affinity
title_short Delving into the variability of supramolecular affinity: self-ion pairing as a central player in aqueous host-guest chemistry
title_full Delving into the variability of supramolecular affinity: self-ion pairing as a central player in aqueous host-guest chemistry
title_fullStr Delving into the variability of supramolecular affinity: self-ion pairing as a central player in aqueous host-guest chemistry
title_full_unstemmed Delving into the variability of supramolecular affinity: self-ion pairing as a central player in aqueous host-guest chemistry
title_sort Delving into the variability of supramolecular affinity: self-ion pairing as a central player in aqueous host-guest chemistry
dc.creator.none.fl_str_mv Gómez González, Borja
Basílio, Nuno
Vaz Araújo, Belén
Pérez Lorenzo, Moisés
García Río, Luis
author Gómez González, Borja
author_facet Gómez González, Borja
Basílio, Nuno
Vaz Araújo, Belén
Pérez Lorenzo, Moisés
García Río, Luis
author_role author
author2 Basílio, Nuno
Vaz Araújo, Belén
Pérez Lorenzo, Moisés
García Río, Luis
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Universidade de Santiago de Compostela. Departamento de Química Física
dc.subject.none.fl_str_mv Host-Guest
Ion-Pairing
Macrocycle
Pillararene
Supramolecular Affinity
topic Host-Guest
Ion-Pairing
Macrocycle
Pillararene
Supramolecular Affinity
description The determination of binding constants is a key matter in evaluating the strength of host–guest interactions. However, the profound impact of self-ion pairing on this parameter is often underrated in aqueous solution, leading in some cases to a misinterpretation of the true potential of supramolecular assemblies. In the present study, we aim to shed further light on this critical factor by exploring the concentration-dependent behavior of a multicharged pillararene in water. Our observations reveal an extraordinary 1-million-fold variability in the affinity of this macrocycle toward a given anion, showcasing the highly dynamic character of electrostatic interactions. We argue that these findings bring to the forefront the inherent determinism that underlies the estimation of affinity constants, a factor profoundly shaped by both the sensitivity of the instrumental technique in use and the intricacies of the experimental design itself. In terms of applications, these results may provide the opportunity to optimize the operational concentrations of multicharged hosts in different scenarios, aiming to achieve their maximum efficiency based on the intended application. Unlocking the potential of this hidden variability may pave the way for the creation of novel molecular materials with advanced functionalities
publishDate 2024
dc.date.none.fl_str_mv 2024
2024-02-05
2024
2024-02-05
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/10347/44404
url https://hdl.handle.net/10347/44404
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.relation.none.fl_str_mv Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020 PID2020-113704RB-I00
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
http://creativecommons.org/licenses/by-nc-nd/4.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Wiley
publisher.none.fl_str_mv Wiley
dc.source.none.fl_str_mv reponame:Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
instname:Universidad de Santiago de Compostela (USC)
instname_str Universidad de Santiago de Compostela (USC)
reponame_str Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
collection Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,81155

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