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A Theoretical Model for Release Dynamics of an Antifungal Agent Covalently Bonded to the Chitosan

The aim of the study was to create a mathematical model useful for monitoring the release of bioactive aldehydes covalently bonded to the chitosan by reversible imine linkage, considered as a polymer–drug system. For this purpose, two hydrogels were prepared by the acid condensation reaction of chit...

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Autores principales: Marin, Luminita, Popa, Marcel, Anisiei, Alexandru, Irimiciuc, Stefan-Andrei, Agop, Maricel, Petrescu, Tudor-Cristian, Vasincu, Decebal, Himiniuc, Loredana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8038756/
https://www.ncbi.nlm.nih.gov/pubmed/33917359
http://dx.doi.org/10.3390/molecules26072089
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author Marin, Luminita
Popa, Marcel
Anisiei, Alexandru
Irimiciuc, Stefan-Andrei
Agop, Maricel
Petrescu, Tudor-Cristian
Vasincu, Decebal
Himiniuc, Loredana
author_facet Marin, Luminita
Popa, Marcel
Anisiei, Alexandru
Irimiciuc, Stefan-Andrei
Agop, Maricel
Petrescu, Tudor-Cristian
Vasincu, Decebal
Himiniuc, Loredana
author_sort Marin, Luminita
collection PubMed
description The aim of the study was to create a mathematical model useful for monitoring the release of bioactive aldehydes covalently bonded to the chitosan by reversible imine linkage, considered as a polymer–drug system. For this purpose, two hydrogels were prepared by the acid condensation reaction of chitosan with the antifungal 2-formyl-phenyl-boronic acid and their particularities; influencing the release of the antifungal aldehyde by shifting the imination equilibrium to the reagents was considered, i.e., the supramolecular nature of the hydrogels was highlighted by polarized light microscopy, while scanning electron microscopy showed their microporous morphology. Furthermore, the in vitro fungicidal activity was investigated on two fungal strains and the in vitro release curves of the antifungal aldehyde triggered by the pH stimulus were drawn. The theoretical model was developed starting from the hypothesis that the imine-chitosan system, both structurally and functionally, can be assimilated, from a mathematical point of view, with a multifractal object, and its dynamics were analyzed in the framework of the Scale Relativity Theory. Thus, through Riccati-type gauges, two synchronous dynamics, one in the scale space, associated with the fungicidal activity, and the other in the usual space, associated with the antifungal aldehyde release, become operational. Their synchronicity, reducible to the isomorphism of two SL(2R)-type groups, implies, by means of its joint invariant functions, bioactive aldehyde compound release dynamics in the form of “kink–antikink pairs” dynamics of a multifractal type. Finally, the theoretical model was validated through the experimental data.
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spelling pubmed-80387562021-04-12 A Theoretical Model for Release Dynamics of an Antifungal Agent Covalently Bonded to the Chitosan Marin, Luminita Popa, Marcel Anisiei, Alexandru Irimiciuc, Stefan-Andrei Agop, Maricel Petrescu, Tudor-Cristian Vasincu, Decebal Himiniuc, Loredana Molecules Article The aim of the study was to create a mathematical model useful for monitoring the release of bioactive aldehydes covalently bonded to the chitosan by reversible imine linkage, considered as a polymer–drug system. For this purpose, two hydrogels were prepared by the acid condensation reaction of chitosan with the antifungal 2-formyl-phenyl-boronic acid and their particularities; influencing the release of the antifungal aldehyde by shifting the imination equilibrium to the reagents was considered, i.e., the supramolecular nature of the hydrogels was highlighted by polarized light microscopy, while scanning electron microscopy showed their microporous morphology. Furthermore, the in vitro fungicidal activity was investigated on two fungal strains and the in vitro release curves of the antifungal aldehyde triggered by the pH stimulus were drawn. The theoretical model was developed starting from the hypothesis that the imine-chitosan system, both structurally and functionally, can be assimilated, from a mathematical point of view, with a multifractal object, and its dynamics were analyzed in the framework of the Scale Relativity Theory. Thus, through Riccati-type gauges, two synchronous dynamics, one in the scale space, associated with the fungicidal activity, and the other in the usual space, associated with the antifungal aldehyde release, become operational. Their synchronicity, reducible to the isomorphism of two SL(2R)-type groups, implies, by means of its joint invariant functions, bioactive aldehyde compound release dynamics in the form of “kink–antikink pairs” dynamics of a multifractal type. Finally, the theoretical model was validated through the experimental data. MDPI 2021-04-06 /pmc/articles/PMC8038756/ /pubmed/33917359 http://dx.doi.org/10.3390/molecules26072089 Text en © 2021 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 Article
Marin, Luminita
Popa, Marcel
Anisiei, Alexandru
Irimiciuc, Stefan-Andrei
Agop, Maricel
Petrescu, Tudor-Cristian
Vasincu, Decebal
Himiniuc, Loredana
A Theoretical Model for Release Dynamics of an Antifungal Agent Covalently Bonded to the Chitosan
title A Theoretical Model for Release Dynamics of an Antifungal Agent Covalently Bonded to the Chitosan
title_full A Theoretical Model for Release Dynamics of an Antifungal Agent Covalently Bonded to the Chitosan
title_fullStr A Theoretical Model for Release Dynamics of an Antifungal Agent Covalently Bonded to the Chitosan
title_full_unstemmed A Theoretical Model for Release Dynamics of an Antifungal Agent Covalently Bonded to the Chitosan
title_short A Theoretical Model for Release Dynamics of an Antifungal Agent Covalently Bonded to the Chitosan
title_sort theoretical model for release dynamics of an antifungal agent covalently bonded to the chitosan
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8038756/
https://www.ncbi.nlm.nih.gov/pubmed/33917359
http://dx.doi.org/10.3390/molecules26072089
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