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Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes

This article reviews the state of the art of the studies on charge regulation (CR) effects in flexible weak polyelectrolytes (FWPE). The characteristic of FWPE is the strong coupling of ionization and conformational degrees of freedom. After introducing the necessary fundamental concepts, some uncon...

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Autores principales: Blanco, Pablo M., Narambuena, Claudio F., Madurga, Sergio, Mas, Francesc, Garcés, Josep L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10302168/
https://www.ncbi.nlm.nih.gov/pubmed/37376324
http://dx.doi.org/10.3390/polym15122680
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author Blanco, Pablo M.
Narambuena, Claudio F.
Madurga, Sergio
Mas, Francesc
Garcés, Josep L.
author_facet Blanco, Pablo M.
Narambuena, Claudio F.
Madurga, Sergio
Mas, Francesc
Garcés, Josep L.
author_sort Blanco, Pablo M.
collection PubMed
description This article reviews the state of the art of the studies on charge regulation (CR) effects in flexible weak polyelectrolytes (FWPE). The characteristic of FWPE is the strong coupling of ionization and conformational degrees of freedom. After introducing the necessary fundamental concepts, some unconventional aspects of the the physical chemistry of FWPE are discussed. These aspects are: (i) the extension of statistical mechanics techniques to include ionization equilibria and, in particular, the use of the recently proposed Site Binding-Rotational Isomeric State (SBRIS) model, which allows the calculation of ionization and conformational properties on the same foot; (ii) the recent progresses in the inclusion of proton equilibria in computer simulations; (iii) the possibility of mechanically induced CR in the stretching of FWPE; (iv) the non-trivial adsorption of FWPE on ionized surfaces with the same charge sign as the PE (the so-called “wrong side” of the isoelectric point); (v) the influence of macromolecular crowding on CR.
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spelling pubmed-103021682023-06-29 Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes Blanco, Pablo M. Narambuena, Claudio F. Madurga, Sergio Mas, Francesc Garcés, Josep L. Polymers (Basel) Review This article reviews the state of the art of the studies on charge regulation (CR) effects in flexible weak polyelectrolytes (FWPE). The characteristic of FWPE is the strong coupling of ionization and conformational degrees of freedom. After introducing the necessary fundamental concepts, some unconventional aspects of the the physical chemistry of FWPE are discussed. These aspects are: (i) the extension of statistical mechanics techniques to include ionization equilibria and, in particular, the use of the recently proposed Site Binding-Rotational Isomeric State (SBRIS) model, which allows the calculation of ionization and conformational properties on the same foot; (ii) the recent progresses in the inclusion of proton equilibria in computer simulations; (iii) the possibility of mechanically induced CR in the stretching of FWPE; (iv) the non-trivial adsorption of FWPE on ionized surfaces with the same charge sign as the PE (the so-called “wrong side” of the isoelectric point); (v) the influence of macromolecular crowding on CR. MDPI 2023-06-14 /pmc/articles/PMC10302168/ /pubmed/37376324 http://dx.doi.org/10.3390/polym15122680 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Review
Blanco, Pablo M.
Narambuena, Claudio F.
Madurga, Sergio
Mas, Francesc
Garcés, Josep L.
Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes
title Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes
title_full Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes
title_fullStr Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes
title_full_unstemmed Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes
title_short Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes
title_sort unusual aspects of charge regulation in flexible weak polyelectrolytes
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10302168/
https://www.ncbi.nlm.nih.gov/pubmed/37376324
http://dx.doi.org/10.3390/polym15122680
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