Cover Image

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...

Full description

Saved in:
Bibliographic Details
Main Authors: Warsi Khan, H., Kaif Khan, M., Moniruzzaman, M., Al Mesfer, M.K., Danish, M., Irshad, K., Yusuf, M., Kamyab, H., Chelliapan, S.
Format: Article
Published: Academic Press Inc. 2023
Online Access:http://scholars.utp.edu.my/id/eprint/37412/
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85159066173&doi=10.1016%2fj.envres.2023.116058&partnerID=40&md5=9692920c0ced8c683a52a024b7d00fa1
Tags: Add Tag
No Tags, Be the first to tag this record!
id oai:scholars.utp.edu.my:37412
record_format eprints
spelling oai:scholars.utp.edu.my:374122023-10-04T12:43:20Z http://scholars.utp.edu.my/id/eprint/37412/ Evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using COSMO-RS: Computational and experimental validation Warsi Khan, H. Kaif Khan, M. Moniruzzaman, M. Al Mesfer, M.K. Danish, M. Irshad, K. Yusuf, M. Kamyab, H. Chelliapan, S. 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 �-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. © 2023 Elsevier Inc. Academic Press Inc. 2023 Article NonPeerReviewed Warsi Khan, H. and Kaif Khan, M. and Moniruzzaman, M. and Al Mesfer, M.K. and Danish, M. and Irshad, K. and Yusuf, M. and Kamyab, H. and Chelliapan, S. (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. ISSN 00139351 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85159066173&doi=10.1016%2fj.envres.2023.116058&partnerID=40&md5=9692920c0ced8c683a52a024b7d00fa1 10.1016/j.envres.2023.116058 10.1016/j.envres.2023.116058 10.1016/j.envres.2023.116058
institution Universiti Teknologi Petronas
building UTP Resource Centre
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Petronas
content_source UTP Institutional Repository
url_provider http://eprints.utp.edu.my/
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 �-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. © 2023 Elsevier Inc.
format Article
author Warsi Khan, H.
Kaif Khan, M.
Moniruzzaman, M.
Al Mesfer, M.K.
Danish, M.
Irshad, K.
Yusuf, M.
Kamyab, H.
Chelliapan, S.
spellingShingle Warsi Khan, H.
Kaif Khan, M.
Moniruzzaman, M.
Al Mesfer, M.K.
Danish, M.
Irshad, K.
Yusuf, M.
Kamyab, H.
Chelliapan, S.
Evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using COSMO-RS: Computational and experimental validation
author_facet Warsi Khan, H.
Kaif Khan, M.
Moniruzzaman, M.
Al Mesfer, M.K.
Danish, M.
Irshad, K.
Yusuf, M.
Kamyab, H.
Chelliapan, S.
author_sort Warsi Khan, H.
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://scholars.utp.edu.my/id/eprint/37412/
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85159066173&doi=10.1016%2fj.envres.2023.116058&partnerID=40&md5=9692920c0ced8c683a52a024b7d00fa1
_version_ 1779441379127066624
score 13.211869

Similar Items