eprintid: 18319
rev_number: 2
eprint_status: archive
userid: 1
dir: disk0/00/01/83/19
datestamp: 2024-06-04 14:10:30
lastmod: 2024-06-04 14:10:30
status_changed: 2024-06-04 14:02:31
type: article
metadata_visibility: show
creators_name: Warsi Khan, H.
creators_name: Kaif Khan, M.
creators_name: Moniruzzaman, M.
creators_name: Al Mesfer, M.K.
creators_name: Danish, M.
creators_name: Irshad, K.
creators_name: Yusuf, M.
creators_name: Kamyab, H.
creators_name: Chelliapan, S.
title: Evaluating ionic liquids for its potential as eco-friendly solvents for naproxen removal from water sources using COSMO-RS: Computational and experimental validation
ispublished: pub
keywords: cation; ionic liquid; naproxen; quaternary ammonium derivative; solvent; anion; naproxen; solvent; water, aqueous solution; drug; ionic liquid; nanotechnology; pollutant; research; separation; solvent, Article; controlled study; density functional theory; drug solubility; hydrogen bond; molecular interaction; quantum chemistry; separation technique; static electricity; surface property; thermodynamics; waste component removal; water supply; human, Anions; Cations; Humans; Ionic Liquids; Naproxen; Solvents; Water
note: cited By 11
abstract: 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.
date: 2023
official_url: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85159066173&doi=10.1016%2fj.envres.2023.116058&partnerID=40&md5=9692920c0ced8c683a52a024b7d00fa1
id_number: 10.1016/j.envres.2023.116058
full_text_status: none
publication: Environmental Research
volume: 231
refereed: TRUE
citation:   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.