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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Main Authors: Pier Luigi Gentili, Juan Perez-Mercader
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-08-01
Series:Frontiers in Chemistry
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2022.950769/full
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author Pier Luigi Gentili
Juan Perez-Mercader
Juan Perez-Mercader
author_facet Pier Luigi Gentili
Juan Perez-Mercader
Juan Perez-Mercader
author_sort Pier Luigi Gentili
collection DOAJ
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 doaj.art-83fd5eac0d2a4856ad762252cfdc38b22022-12-22T02:18:46ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462022-08-011010.3389/fchem.2022.950769950769Quantitative estimation of chemical microheterogeneity through the determination of fuzzy entropyPier Luigi Gentili0Juan Perez-Mercader1Juan Perez-Mercader2Department of Chemistry, Biology, and Biotechnology, Università Degli Studi di Perugia, Perugia, ItalyDepartment of Earth and Planetary Sciences and Origins of Life Initiative, Harvard University, Cambridge, MA, United StatesSanta Fe Institute, Santa Fe, NM, United StatesChemical 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.https://www.frontiersin.org/articles/10.3389/fchem.2022.950769/fullmicro-heterogeneous chemical systemstime-resolved signalsmaximum entropy method (MEM)molecular informationmolecular computingfuzzy sets
spellingShingle Pier Luigi Gentili
Juan Perez-Mercader
Juan Perez-Mercader
Quantitative estimation of chemical microheterogeneity through the determination of fuzzy entropy
Frontiers in Chemistry
micro-heterogeneous chemical systems
time-resolved signals
maximum entropy method (MEM)
molecular information
molecular computing
fuzzy sets
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 micro-heterogeneous chemical systems
time-resolved signals
maximum entropy method (MEM)
molecular information
molecular computing
fuzzy sets
url https://www.frontiersin.org/articles/10.3389/fchem.2022.950769/full
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