Liquid–liquid equilibrium measurements and computational study of salt–polymer aqueous two phase system for extraction of analgesic drugs
Abstract In recent decades, aqueous two phase systems have gained a lot of attention for extraction of different materials. In this work, an aqueous two phase system was made by polyethylene glycol 600 and potassium hydroxide and phase diagram were determined for this system. The experimental binoda...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2022-08-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-022-18122-x |
| _version_ | 1798038934169583616 |
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| author | Fariba Ghaffari Mohammad Khorsandi Hemayat Shekaari Mohammed Taghi Zafarani-Moattar |
| author_facet | Fariba Ghaffari Mohammad Khorsandi Hemayat Shekaari Mohammed Taghi Zafarani-Moattar |
| author_sort | Fariba Ghaffari |
| collection | DOAJ |
| description | Abstract In recent decades, aqueous two phase systems have gained a lot of attention for extraction of different materials. In this work, an aqueous two phase system was made by polyethylene glycol 600 and potassium hydroxide and phase diagram were determined for this system. The experimental binodal data were described using two empirical nonlinear three parameter expressions developed by Merchuk and Zafarani-Moattar. The consistency of the experimental tie-line data was determined by utilizing the Othmer-Tobias, Bancraft, and Setschenow correlations. Also, the extraction of two analgesic drugs, namely ibuprofen and acetaminophen were investigated by the mentioned ATPS. For this purpose, partition coefficients and extraction efficiencies of each drug were calculated. The trend of extraction efficiencies indicated that the responsibility of extraction of the mentioned drugs into the polymer-rich top phase is related to their hydrophobicity. The Diamond-Hsu equation and its modified version were used to correlate the drugs experimental partition coefficients. Furthermore, the interaction of mentioned drugs with polyethylene glycol was investigated employing quantum computing techniques based upon density functional theory (DFT). These results were in good agreement with the trend of extraction efficiencies of studied drugs. |
| first_indexed | 2024-04-11T21:47:02Z |
| format | Article |
| id | doaj.art-b1ab14a74ffa4bd69e76aab95384f936 |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-04-11T21:47:02Z |
| publishDate | 2022-08-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-b1ab14a74ffa4bd69e76aab95384f9362022-12-22T04:01:24ZengNature PortfolioScientific Reports2045-23222022-08-0112111110.1038/s41598-022-18122-xLiquid–liquid equilibrium measurements and computational study of salt–polymer aqueous two phase system for extraction of analgesic drugsFariba Ghaffari0Mohammad Khorsandi1Hemayat Shekaari2Mohammed Taghi Zafarani-Moattar3Department of Physical Chemistry, University of TabrizDepartment of Physical Chemistry, University of TabrizDepartment of Physical Chemistry, University of TabrizDepartment of Physical Chemistry, University of TabrizAbstract In recent decades, aqueous two phase systems have gained a lot of attention for extraction of different materials. In this work, an aqueous two phase system was made by polyethylene glycol 600 and potassium hydroxide and phase diagram were determined for this system. The experimental binodal data were described using two empirical nonlinear three parameter expressions developed by Merchuk and Zafarani-Moattar. The consistency of the experimental tie-line data was determined by utilizing the Othmer-Tobias, Bancraft, and Setschenow correlations. Also, the extraction of two analgesic drugs, namely ibuprofen and acetaminophen were investigated by the mentioned ATPS. For this purpose, partition coefficients and extraction efficiencies of each drug were calculated. The trend of extraction efficiencies indicated that the responsibility of extraction of the mentioned drugs into the polymer-rich top phase is related to their hydrophobicity. The Diamond-Hsu equation and its modified version were used to correlate the drugs experimental partition coefficients. Furthermore, the interaction of mentioned drugs with polyethylene glycol was investigated employing quantum computing techniques based upon density functional theory (DFT). These results were in good agreement with the trend of extraction efficiencies of studied drugs.https://doi.org/10.1038/s41598-022-18122-x |
| spellingShingle | Fariba Ghaffari Mohammad Khorsandi Hemayat Shekaari Mohammed Taghi Zafarani-Moattar Liquid–liquid equilibrium measurements and computational study of salt–polymer aqueous two phase system for extraction of analgesic drugs Scientific Reports |
| title | Liquid–liquid equilibrium measurements and computational study of salt–polymer aqueous two phase system for extraction of analgesic drugs |
| title_full | Liquid–liquid equilibrium measurements and computational study of salt–polymer aqueous two phase system for extraction of analgesic drugs |
| title_fullStr | Liquid–liquid equilibrium measurements and computational study of salt–polymer aqueous two phase system for extraction of analgesic drugs |
| title_full_unstemmed | Liquid–liquid equilibrium measurements and computational study of salt–polymer aqueous two phase system for extraction of analgesic drugs |
| title_short | Liquid–liquid equilibrium measurements and computational study of salt–polymer aqueous two phase system for extraction of analgesic drugs |
| title_sort | liquid liquid equilibrium measurements and computational study of salt polymer aqueous two phase system for extraction of analgesic drugs |
| url | https://doi.org/10.1038/s41598-022-18122-x |
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