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Single Quality Factor for Enthalpy‐Entropy Compensation, Isoequilibrium and Isokinetic Relationships
Enthalpy‐entropy compensation (EEC) is very often encountered in chemistry, biology and physics. Its origin is widely discussed since it would allow, for example, a very accurate tuning of the thermodynamic properties as a function of the reactants. However, EEC is often discarded as a statistical a...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7522686/ https://www.ncbi.nlm.nih.gov/pubmed/32573925 http://dx.doi.org/10.1002/cphc.202000390 |
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author | Griessen, Ronald Boelsma, Christiaan Schreuders, Herman Broedersz, Chase P. Gremaud, Robin Dam, Bernard |
author_facet | Griessen, Ronald Boelsma, Christiaan Schreuders, Herman Broedersz, Chase P. Gremaud, Robin Dam, Bernard |
author_sort | Griessen, Ronald |
collection | PubMed |
description | Enthalpy‐entropy compensation (EEC) is very often encountered in chemistry, biology and physics. Its origin is widely discussed since it would allow, for example, a very accurate tuning of the thermodynamic properties as a function of the reactants. However, EEC is often discarded as a statistical artefact, especially when only a limited temperature range is considered. We show that the likeliness of a statistical origin of an EEC can be established with a compensation quality factor (CQF) that depends only on the measured enthalpies and entropies and the experimental temperature range. This is directly derived from a comparison of the CQF with threshold values obtained from a large number of simulations with randomly generated Van ‘t Hoff plots. The value of CQF is furthermore a direct measure of the existence of a genuine isoequilibrium or isokinetic relationship. |
format | Online Article Text |
id | pubmed-7522686 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | John Wiley and Sons Inc. |
record_format | MEDLINE/PubMed |
spelling | pubmed-75226862020-10-02 Single Quality Factor for Enthalpy‐Entropy Compensation, Isoequilibrium and Isokinetic Relationships Griessen, Ronald Boelsma, Christiaan Schreuders, Herman Broedersz, Chase P. Gremaud, Robin Dam, Bernard Chemphyschem Articles Enthalpy‐entropy compensation (EEC) is very often encountered in chemistry, biology and physics. Its origin is widely discussed since it would allow, for example, a very accurate tuning of the thermodynamic properties as a function of the reactants. However, EEC is often discarded as a statistical artefact, especially when only a limited temperature range is considered. We show that the likeliness of a statistical origin of an EEC can be established with a compensation quality factor (CQF) that depends only on the measured enthalpies and entropies and the experimental temperature range. This is directly derived from a comparison of the CQF with threshold values obtained from a large number of simulations with randomly generated Van ‘t Hoff plots. The value of CQF is furthermore a direct measure of the existence of a genuine isoequilibrium or isokinetic relationship. John Wiley and Sons Inc. 2020-07-10 2020-08-04 /pmc/articles/PMC7522686/ /pubmed/32573925 http://dx.doi.org/10.1002/cphc.202000390 Text en © 2020 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA This is an open access article under the terms of the http://creativecommons.org/licenses/by-nc-nd/4.0/ License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non‐commercial and no modifications or adaptations are made. |
spellingShingle | Articles Griessen, Ronald Boelsma, Christiaan Schreuders, Herman Broedersz, Chase P. Gremaud, Robin Dam, Bernard Single Quality Factor for Enthalpy‐Entropy Compensation, Isoequilibrium and Isokinetic Relationships |
title | Single Quality Factor for Enthalpy‐Entropy Compensation, Isoequilibrium and Isokinetic Relationships |
title_full | Single Quality Factor for Enthalpy‐Entropy Compensation, Isoequilibrium and Isokinetic Relationships |
title_fullStr | Single Quality Factor for Enthalpy‐Entropy Compensation, Isoequilibrium and Isokinetic Relationships |
title_full_unstemmed | Single Quality Factor for Enthalpy‐Entropy Compensation, Isoequilibrium and Isokinetic Relationships |
title_short | Single Quality Factor for Enthalpy‐Entropy Compensation, Isoequilibrium and Isokinetic Relationships |
title_sort | single quality factor for enthalpy‐entropy compensation, isoequilibrium and isokinetic relationships |
topic | Articles |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7522686/ https://www.ncbi.nlm.nih.gov/pubmed/32573925 http://dx.doi.org/10.1002/cphc.202000390 |
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