relation: https://khub.utp.edu.my/scholars/7434/
title: Analysis of Multiple Solvation Interactions of Methotrexate and Ammonium Based Ionic Liquids Using COSMO-RS
creator: Lotfi, M.
creator: Moniruzzaman, M.
creator: Mutalib, M.I.A.
creator: Wilfred, C.D.
creator: Alitheen, N.B.
creator: Goto, M.
description: Solubility prediction of methotrexate (a pharmaceutical compound) in ammonium based ionic liquids has been investigated in this study using COSMO-RS. We examined the effect of anion and related interaction energies (misfit, H-bonding and van der Waals interaction energy) on the solubility of methotrexate (MTX) in ammonium based ionic liquids. COSMO-RS model is a physically admissible computational procedure and favorably it doesn't need the experimental data, so these traits make COSMO-RS a superior and practicable replacement for solubility calculations in ionic liquids. Our promising results showed that the methotrexate solubility highly depends on anionic part of ionic liquids, also we found out that the H-bonding interaction energy is the most controlling interaction for ionic liquids which is pursued by misfit and van der Waals interaction energy. This work results may be significant to improve our comprehending of solute solubility interactions in ionic liquids. © 2016 The Authors. Published by Elsevier Ltd.
publisher: Elsevier Ltd
date: 2016
type: Conference or Workshop Item
type: PeerReviewed
identifier:   Lotfi, M. and Moniruzzaman, M. and Mutalib, M.I.A. and Wilfred, C.D. and Alitheen, N.B. and Goto, M.  (2016) Analysis of Multiple Solvation Interactions of Methotrexate and Ammonium Based Ionic Liquids Using COSMO-RS.  In: UNSPECIFIED.     
relation: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85013983256&doi=10.1016%2fj.proeng.2016.06.464&partnerID=40&md5=4052a1558707635be92aca18d778abff
relation: 10.1016/j.proeng.2016.06.464
identifier: 10.1016/j.proeng.2016.06.464