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Quantitative estimation of chemical microheterogeneity through the determination of fuzzy entropy

Chemical micro-heterogeneity is an attribute of all living systems and most of the soft and crystalline materials. Its characterization requires a plethora of techniques. This work proposes a strategy for quantifying the degree of chemical micro-heterogeneity. First of all, our approach needs the co...

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Detalles Bibliográficos
Autores principales: Gentili, Pier Luigi, Perez-Mercader, Juan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9468615/
https://www.ncbi.nlm.nih.gov/pubmed/36110133
http://dx.doi.org/10.3389/fchem.2022.950769
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author Gentili, Pier Luigi
Perez-Mercader, Juan
author_facet Gentili, Pier Luigi
Perez-Mercader, Juan
author_sort Gentili, Pier Luigi
collection PubMed
description Chemical micro-heterogeneity is an attribute of all living systems and most of the soft and crystalline materials. Its characterization requires a plethora of techniques. This work proposes a strategy for quantifying the degree of chemical micro-heterogeneity. First of all, our approach needs the collection of time-evolving signals that can be fitted through poly-exponential functions. The best fit is determined through the Maximum Entropy Method. The pre-exponential terms of the poly-exponential fitting function are used to estimate Fuzzy Entropy. Related to the possibility of implementing Fuzzy sets through the micro-heterogeneity of chemical systems. Fuzzy Entropy becomes a quantitative estimation of the Fuzzy Information that can be processed through micro-heterogeneous chemical systems. We conclude that our definition of Fuzzy Entropy can be extended to other kinds of data, such as morphological and structural distributions, spectroscopic bands and chromatographic peaks. The chemical implementation of Fuzzy sets and Fuzzy logic will promote the development of Chemical Artificial Intelligence.
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spelling pubmed-94686152022-09-14 Quantitative estimation of chemical microheterogeneity through the determination of fuzzy entropy Gentili, Pier Luigi Perez-Mercader, Juan Front Chem Chemistry Chemical micro-heterogeneity is an attribute of all living systems and most of the soft and crystalline materials. Its characterization requires a plethora of techniques. This work proposes a strategy for quantifying the degree of chemical micro-heterogeneity. First of all, our approach needs the collection of time-evolving signals that can be fitted through poly-exponential functions. The best fit is determined through the Maximum Entropy Method. The pre-exponential terms of the poly-exponential fitting function are used to estimate Fuzzy Entropy. Related to the possibility of implementing Fuzzy sets through the micro-heterogeneity of chemical systems. Fuzzy Entropy becomes a quantitative estimation of the Fuzzy Information that can be processed through micro-heterogeneous chemical systems. We conclude that our definition of Fuzzy Entropy can be extended to other kinds of data, such as morphological and structural distributions, spectroscopic bands and chromatographic peaks. The chemical implementation of Fuzzy sets and Fuzzy logic will promote the development of Chemical Artificial Intelligence. Frontiers Media S.A. 2022-08-30 /pmc/articles/PMC9468615/ /pubmed/36110133 http://dx.doi.org/10.3389/fchem.2022.950769 Text en Copyright © 2022 Gentili and Perez-Mercader. https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
spellingShingle Chemistry
Gentili, Pier Luigi
Perez-Mercader, Juan
Quantitative estimation of chemical microheterogeneity through the determination of fuzzy entropy
title Quantitative estimation of chemical microheterogeneity through the determination of fuzzy entropy
title_full Quantitative estimation of chemical microheterogeneity through the determination of fuzzy entropy
title_fullStr Quantitative estimation of chemical microheterogeneity through the determination of fuzzy entropy
title_full_unstemmed Quantitative estimation of chemical microheterogeneity through the determination of fuzzy entropy
title_short Quantitative estimation of chemical microheterogeneity through the determination of fuzzy entropy
title_sort quantitative estimation of chemical microheterogeneity through the determination of fuzzy entropy
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9468615/
https://www.ncbi.nlm.nih.gov/pubmed/36110133
http://dx.doi.org/10.3389/fchem.2022.950769
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