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Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents

Eutectic systems offer a wide range of new (green) designer solvents for diverse applications. However, due to the large pool of possible compounds, selecting compounds that form eutectic systems is not straightforward. In this study, a simple approach for preselecting possible candidates from a poo...

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Autores principales: Alhadid, Ahmad, Mokrushina, Liudmila, Minceva, Mirjana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7179121/
https://www.ncbi.nlm.nih.gov/pubmed/32121048
http://dx.doi.org/10.3390/molecules25051077
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author Alhadid, Ahmad
Mokrushina, Liudmila
Minceva, Mirjana
author_facet Alhadid, Ahmad
Mokrushina, Liudmila
Minceva, Mirjana
author_sort Alhadid, Ahmad
collection PubMed
description Eutectic systems offer a wide range of new (green) designer solvents for diverse applications. However, due to the large pool of possible compounds, selecting compounds that form eutectic systems is not straightforward. In this study, a simple approach for preselecting possible candidates from a pool of substances sharing the same chemical functionality was presented. First, the melting entropy of single compounds was correlated with their molecular structure to calculate their melting enthalpy. Subsequently, the eutectic temperature of the screened binary systems was qualitatively predicted, and the systems were ordered according to the depth of the eutectic temperature. The approach was demonstrated for six hydrophobic eutectic systems composed of L-menthol and monocarboxylic acids with linear and cyclic structures. It was found that the melting entropy of compounds sharing the same functionality could be well correlated with their molecular structures. As a result, when the two acids had a similar melting temperature, the melting enthalpy of a rigid acid was found to be lower than that of a flexible acid. It was demonstrated that compounds with more rigid molecular structures could form deeper eutectics. The proposed approach could decrease the experimental efforts required to design deep eutectic solvents, particularly when the melting enthalpy of pure components is not available.
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spelling pubmed-71791212020-04-28 Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents Alhadid, Ahmad Mokrushina, Liudmila Minceva, Mirjana Molecules Article Eutectic systems offer a wide range of new (green) designer solvents for diverse applications. However, due to the large pool of possible compounds, selecting compounds that form eutectic systems is not straightforward. In this study, a simple approach for preselecting possible candidates from a pool of substances sharing the same chemical functionality was presented. First, the melting entropy of single compounds was correlated with their molecular structure to calculate their melting enthalpy. Subsequently, the eutectic temperature of the screened binary systems was qualitatively predicted, and the systems were ordered according to the depth of the eutectic temperature. The approach was demonstrated for six hydrophobic eutectic systems composed of L-menthol and monocarboxylic acids with linear and cyclic structures. It was found that the melting entropy of compounds sharing the same functionality could be well correlated with their molecular structures. As a result, when the two acids had a similar melting temperature, the melting enthalpy of a rigid acid was found to be lower than that of a flexible acid. It was demonstrated that compounds with more rigid molecular structures could form deeper eutectics. The proposed approach could decrease the experimental efforts required to design deep eutectic solvents, particularly when the melting enthalpy of pure components is not available. MDPI 2020-02-28 /pmc/articles/PMC7179121/ /pubmed/32121048 http://dx.doi.org/10.3390/molecules25051077 Text en © 2020 by the authors. 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 (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Alhadid, Ahmad
Mokrushina, Liudmila
Minceva, Mirjana
Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents
title Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents
title_full Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents
title_fullStr Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents
title_full_unstemmed Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents
title_short Design of Deep Eutectic Systems: A Simple Approach for Preselecting Eutectic Mixture Constituents
title_sort design of deep eutectic systems: a simple approach for preselecting eutectic mixture constituents
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7179121/
https://www.ncbi.nlm.nih.gov/pubmed/32121048
http://dx.doi.org/10.3390/molecules25051077
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