Staff View: Evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using COSMO-RS: Computational and experimental validation

Evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using COSMO-RS: Computational and experimental validation

An emerging contaminant of concern in aqueous streams is naproxen. Due to its poor solubility, non-biodegradability, and pharmaceutically active nature, the separation is challenging. Conventional solvents employed for naproxen are toxic and harmful. Ionic liquids (ILs) have attracted great attentio...

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Main Authors:	Khan, Huma Warsi, Khan, Mohd. Kaif, Muhammad Moniruzzaman, Muhammad Moniruzzaman, Al Mesfer, Mohammed K., Mohd. Danish, Mohd. Danish, Irshad, Kashif, Mohammad Yusuf, Mohammad Yusuf, Kamyab, Hesam, Chelliapan, Shreshivadasan
Format:	Article
Published:	Academic Press Inc. 2023
Subjects:	T Technology (General)
Online Access:	http://eprints.utm.my/107282/ http://dx.doi.org/10.1016/j.envres.2023.116058
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id	my.utm.107282
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spelling	my.utm.1072822024-09-01T06:41:15Z http://eprints.utm.my/107282/ Evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using COSMO-RS: Computational and experimental validation Khan, Huma Warsi Khan, Mohd. Kaif Muhammad Moniruzzaman, Muhammad Moniruzzaman Al Mesfer, Mohammed K. Mohd. Danish, Mohd. Danish Irshad, Kashif Mohammad Yusuf, Mohammad Yusuf Kamyab, Hesam Chelliapan, Shreshivadasan T Technology (General) An emerging contaminant of concern in aqueous streams is naproxen. Due to its poor solubility, non-biodegradability, and pharmaceutically active nature, the separation is challenging. Conventional solvents employed for naproxen are toxic and harmful. Ionic liquids (ILs) have attracted great attention as greener solubilizing and separating agent for various pharmaceuticals. ILs have found extensive usage as solvents in nanotechnological processes involving enzymatic reactions and whole cells. The employment of ILs can enhance the effectiveness and productivity of such bioprocesses. To avoid cumbersome experimental screening, in this study, conductor like screening model for real solvents (COSMO-RS) was used to screen ILs. Thirty anions and eight cations from various families were chosen. Activity coefficient at infinite dilution, capacity, selectivity, performance index, molecular interactions using s-profiles and interaction energies were used to make predictions about solubility. According to the findings, quaternary ammonium cations, highly electronegative, and food-grade anions will form excellent ionic liquid combinations for solubilizing naproxen and hence will be better separating agents. This research will contribute easy designing of ionic liquid-based separation technologies for naproxen. In different separation technologies, ionic liquids can be employed as extractants, carriers, adsorbents, and absorbents. Academic Press Inc. 2023 Article PeerReviewed Khan, Huma Warsi and Khan, Mohd. Kaif and Muhammad Moniruzzaman, Muhammad Moniruzzaman and Al Mesfer, Mohammed K. and Mohd. Danish, Mohd. Danish and Irshad, Kashif and Mohammad Yusuf, Mohammad Yusuf and Kamyab, Hesam and Chelliapan, Shreshivadasan (2023) Evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using COSMO-RS: Computational and experimental validation. Environmental Research, 231 (NA). NA-NA. ISSN 0013-9351 http://dx.doi.org/10.1016/j.envres.2023.116058 DOI : 10.1016/j.envres.2023.116058
institution	Universiti Teknologi Malaysia
building	UTM Library
collection	Institutional Repository
continent	Asia
country	Malaysia
content_provider	Universiti Teknologi Malaysia
content_source	UTM Institutional Repository
url_provider	http://eprints.utm.my/
topic	T Technology (General)
spellingShingle	T Technology (General) Khan, Huma Warsi Khan, Mohd. Kaif Muhammad Moniruzzaman, Muhammad Moniruzzaman Al Mesfer, Mohammed K. Mohd. Danish, Mohd. Danish Irshad, Kashif Mohammad Yusuf, Mohammad Yusuf Kamyab, Hesam Chelliapan, Shreshivadasan Evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using COSMO-RS: Computational and experimental validation
description	An emerging contaminant of concern in aqueous streams is naproxen. Due to its poor solubility, non-biodegradability, and pharmaceutically active nature, the separation is challenging. Conventional solvents employed for naproxen are toxic and harmful. Ionic liquids (ILs) have attracted great attention as greener solubilizing and separating agent for various pharmaceuticals. ILs have found extensive usage as solvents in nanotechnological processes involving enzymatic reactions and whole cells. The employment of ILs can enhance the effectiveness and productivity of such bioprocesses. To avoid cumbersome experimental screening, in this study, conductor like screening model for real solvents (COSMO-RS) was used to screen ILs. Thirty anions and eight cations from various families were chosen. Activity coefficient at infinite dilution, capacity, selectivity, performance index, molecular interactions using s-profiles and interaction energies were used to make predictions about solubility. According to the findings, quaternary ammonium cations, highly electronegative, and food-grade anions will form excellent ionic liquid combinations for solubilizing naproxen and hence will be better separating agents. This research will contribute easy designing of ionic liquid-based separation technologies for naproxen. In different separation technologies, ionic liquids can be employed as extractants, carriers, adsorbents, and absorbents.
format	Article
author	Khan, Huma Warsi Khan, Mohd. Kaif Muhammad Moniruzzaman, Muhammad Moniruzzaman Al Mesfer, Mohammed K. Mohd. Danish, Mohd. Danish Irshad, Kashif Mohammad Yusuf, Mohammad Yusuf Kamyab, Hesam Chelliapan, Shreshivadasan
author_facet	Khan, Huma Warsi Khan, Mohd. Kaif Muhammad Moniruzzaman, Muhammad Moniruzzaman Al Mesfer, Mohammed K. Mohd. Danish, Mohd. Danish Irshad, Kashif Mohammad Yusuf, Mohammad Yusuf Kamyab, Hesam Chelliapan, Shreshivadasan
author_sort	Khan, Huma Warsi
title	Evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using COSMO-RS: Computational and experimental validation
title_short	Evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using COSMO-RS: Computational and experimental validation
title_full	Evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using COSMO-RS: Computational and experimental validation
title_fullStr	Evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using COSMO-RS: Computational and experimental validation
title_full_unstemmed	Evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using COSMO-RS: Computational and experimental validation
title_sort	evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using cosmo-rs: computational and experimental validation
publisher	Academic Press Inc.
publishDate	2023
url	http://eprints.utm.my/107282/ http://dx.doi.org/10.1016/j.envres.2023.116058
_version_	1809136652078022656
score	13.211869

Evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using COSMO-RS: Computational and experimental validation

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