Publicação
A COMPREHENSIVE SCREENING STUDY ON THE SOLUBILITY IN NADES BY USING HANSEN SOLUBILITY PARAMETERS
| Resumo: | NADES, abbreviated from Natural Deep Eutectic Systems, are a promising new generation of green solvents formed by mixing two or more organic compounds, typically primary metab-olites derived from plants such as alcohols, sugars, amino acids, etc. By combining these compounds in a specific molar ratio, they will interact mostly by hydrogen bonding which will lead to the formation of a translucent liquid that has a lower melting point than its con-stituents. Due to their significant characteristics, these systems have attracted the interest of many researchers and, therefore, have been studied in different areas, such as extraction, biomedical application, and biocatalysis among others. However, there is still a lack of in-formation about most of its physicochemical properties, especially those necessary for a bet-ter understanding of its solubility behaviour. In this thesis, the use of Hansen Solubility Pa-rameters (HSPs) was suggested to investigate the solubility of ibuprofen in hydrophilic and hydrophobic NADES. This evaluation was carried out using a set of theoretical models of HSPs and other parameters such as water content, polarity, dielectric constants, refractive indices, dipole moments, and Kamlet-Taft parameters. The empirical model of Hoftyzer and Van-Krevelen (HK) has demonstrated to be the most suitable one, for the theoretical deter-mination of HSPs. Although the expected relationship between solubility and affinity was not found, it was possible with this work to gather several extremely useful information for the characterization of eutectic systems, as well as a large list containing the HSPs of various components of NADES. |
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| Autores principais: | Fernandes, Cláudio Correia |
| Assunto: | Natural Deep Eutectic Systems Hansen solubility Parameters Ibuprofen solubility polarity Kamlet-Taft parameters |
| Ano: | 2022 |
| País: | Portugal |
| Tipo de documento: | dissertação de mestrado |
| Tipo de acesso: | acesso aberto |
| Instituição associada: | Universidade Nova de Lisboa |
| Idioma: | inglês |
| Origem: | Repositório Institucional da UNL |
| Resumo: | NADES, abbreviated from Natural Deep Eutectic Systems, are a promising new generation of green solvents formed by mixing two or more organic compounds, typically primary metab-olites derived from plants such as alcohols, sugars, amino acids, etc. By combining these compounds in a specific molar ratio, they will interact mostly by hydrogen bonding which will lead to the formation of a translucent liquid that has a lower melting point than its con-stituents. Due to their significant characteristics, these systems have attracted the interest of many researchers and, therefore, have been studied in different areas, such as extraction, biomedical application, and biocatalysis among others. However, there is still a lack of in-formation about most of its physicochemical properties, especially those necessary for a bet-ter understanding of its solubility behaviour. In this thesis, the use of Hansen Solubility Pa-rameters (HSPs) was suggested to investigate the solubility of ibuprofen in hydrophilic and hydrophobic NADES. This evaluation was carried out using a set of theoretical models of HSPs and other parameters such as water content, polarity, dielectric constants, refractive indices, dipole moments, and Kamlet-Taft parameters. The empirical model of Hoftyzer and Van-Krevelen (HK) has demonstrated to be the most suitable one, for the theoretical deter-mination of HSPs. Although the expected relationship between solubility and affinity was not found, it was possible with this work to gather several extremely useful information for the characterization of eutectic systems, as well as a large list containing the HSPs of various components of NADES. |
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