Solubility Determination, Hansen Solubility Parameters and Thermodynamic Evaluation of Thymoquinone in (Isopropanol + Water) Compositions
This article studies the solubility, Hansen solubility parameters (HSPs), and thermodynamic behavior of a naturally-derived bioactive thymoquinone (TQ) in different binary combinations of isopropanol (IPA) and water (H<sub>2</sub>O). The mole fraction solubilities (<i>x</i>&l...
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| Format: | Article |
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MDPI AG
2021-05-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/26/11/3195 |
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| author | Mohammed Ghazwani M. Yasmin Begum Prawez Alam Mohammed H. Alqarni Hasan S. Yusufoglu Faiyaz Shakeel |
| author_facet | Mohammed Ghazwani M. Yasmin Begum Prawez Alam Mohammed H. Alqarni Hasan S. Yusufoglu Faiyaz Shakeel |
| author_sort | Mohammed Ghazwani |
| collection | DOAJ |
| description | This article studies the solubility, Hansen solubility parameters (HSPs), and thermodynamic behavior of a naturally-derived bioactive thymoquinone (TQ) in different binary combinations of isopropanol (IPA) and water (H<sub>2</sub>O). The mole fraction solubilities (<i>x</i><sub>3</sub>) of TQ in various (IPA + H<sub>2</sub>O) compositions are measured at 298.2–318.2 K and 0.1 MPa. The HSPs of TQ, neat IPA, neat H<sub>2</sub>O, and binary (IPA + H<sub>2</sub>O) compositions free of TQ are also determined. The <i>x</i><sub>3</sub> data of TQ are regressed by van’t Hoff, Apelblat, Yalkowsky–Roseman, Buchowski–Ksiazczak <i>λh</i>, Jouyban–Acree, and Jouyban–Acree–van’t Hoff models. The maximum and minimum <i>x</i><sub>3</sub> values of TQ are recorded in neat IPA (7.63 × 10<sup>−2</sup> at 318.2 K) and neat H<sub>2</sub>O (8.25 × 10<sup>−5</sup> at 298.2 K), respectively. The solubility of TQ is recorded as increasing with the rise in temperature and IPA mass fraction in all (IPA + H<sub>2</sub>O) mixtures, including pure IPA and pure H<sub>2</sub>O. The HSP of TQ is similar to that of pure IPA, suggesting the great potential of IPA in TQ solubilization. The maximum molecular solute-solvent interactions are found in TQ-IPA compared to TQ-H<sub>2</sub>O. A thermodynamic study indicates an endothermic and entropy-driven dissolution of TQ in all (IPA + H<sub>2</sub>O) mixtures, including pure IPA and pure H<sub>2</sub>O. |
| first_indexed | 2024-03-10T11:01:32Z |
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| id | doaj.art-7b3e7ea8b3ff42efbbcbf527ab9984c5 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T11:01:32Z |
| publishDate | 2021-05-01 |
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| spelling | doaj.art-7b3e7ea8b3ff42efbbcbf527ab9984c52023-11-21T21:30:03ZengMDPI AGMolecules1420-30492021-05-012611319510.3390/molecules26113195Solubility Determination, Hansen Solubility Parameters and Thermodynamic Evaluation of Thymoquinone in (Isopropanol + Water) CompositionsMohammed Ghazwani0M. Yasmin Begum1Prawez Alam2Mohammed H. Alqarni3Hasan S. Yusufoglu4Faiyaz Shakeel5Department of Pharmaceutics, College of Pharmacy, King Khalid University, Abha 61441, Saudi ArabiaDepartment of Pharmaceutics, College of Pharmacy, King Khalid University, Abha 61441, Saudi ArabiaDepartment of Pharmacognosy, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi ArabiaDepartment of Pharmacognosy, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi ArabiaDepartment of Pharmacognosy, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi ArabiaDepartment of Pharmaceutics, College of Pharmacy, King Saud University, Riyadh 11451, Saudi ArabiaThis article studies the solubility, Hansen solubility parameters (HSPs), and thermodynamic behavior of a naturally-derived bioactive thymoquinone (TQ) in different binary combinations of isopropanol (IPA) and water (H<sub>2</sub>O). The mole fraction solubilities (<i>x</i><sub>3</sub>) of TQ in various (IPA + H<sub>2</sub>O) compositions are measured at 298.2–318.2 K and 0.1 MPa. The HSPs of TQ, neat IPA, neat H<sub>2</sub>O, and binary (IPA + H<sub>2</sub>O) compositions free of TQ are also determined. The <i>x</i><sub>3</sub> data of TQ are regressed by van’t Hoff, Apelblat, Yalkowsky–Roseman, Buchowski–Ksiazczak <i>λh</i>, Jouyban–Acree, and Jouyban–Acree–van’t Hoff models. The maximum and minimum <i>x</i><sub>3</sub> values of TQ are recorded in neat IPA (7.63 × 10<sup>−2</sup> at 318.2 K) and neat H<sub>2</sub>O (8.25 × 10<sup>−5</sup> at 298.2 K), respectively. The solubility of TQ is recorded as increasing with the rise in temperature and IPA mass fraction in all (IPA + H<sub>2</sub>O) mixtures, including pure IPA and pure H<sub>2</sub>O. The HSP of TQ is similar to that of pure IPA, suggesting the great potential of IPA in TQ solubilization. The maximum molecular solute-solvent interactions are found in TQ-IPA compared to TQ-H<sub>2</sub>O. A thermodynamic study indicates an endothermic and entropy-driven dissolution of TQ in all (IPA + H<sub>2</sub>O) mixtures, including pure IPA and pure H<sub>2</sub>O.https://www.mdpi.com/1420-3049/26/11/3195apparent thermodynamicsHansen solubility parametersisopropanolsolubilitythymoquinone |
| spellingShingle | Mohammed Ghazwani M. Yasmin Begum Prawez Alam Mohammed H. Alqarni Hasan S. Yusufoglu Faiyaz Shakeel Solubility Determination, Hansen Solubility Parameters and Thermodynamic Evaluation of Thymoquinone in (Isopropanol + Water) Compositions Molecules apparent thermodynamics Hansen solubility parameters isopropanol solubility thymoquinone |
| title | Solubility Determination, Hansen Solubility Parameters and Thermodynamic Evaluation of Thymoquinone in (Isopropanol + Water) Compositions |
| title_full | Solubility Determination, Hansen Solubility Parameters and Thermodynamic Evaluation of Thymoquinone in (Isopropanol + Water) Compositions |
| title_fullStr | Solubility Determination, Hansen Solubility Parameters and Thermodynamic Evaluation of Thymoquinone in (Isopropanol + Water) Compositions |
| title_full_unstemmed | Solubility Determination, Hansen Solubility Parameters and Thermodynamic Evaluation of Thymoquinone in (Isopropanol + Water) Compositions |
| title_short | Solubility Determination, Hansen Solubility Parameters and Thermodynamic Evaluation of Thymoquinone in (Isopropanol + Water) Compositions |
| title_sort | solubility determination hansen solubility parameters and thermodynamic evaluation of thymoquinone in isopropanol water compositions |
| topic | apparent thermodynamics Hansen solubility parameters isopropanol solubility thymoquinone |
| url | https://www.mdpi.com/1420-3049/26/11/3195 |
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