Citation
Mohammad Latif, Muhammad Alif and Micaelo, Nuno M. and Abdul Rahman, Mohd Basyaruddin
(2014)
Solvation free energies in [bmim]-based ionic liquids: anion effect toward solvation of amino acid side chain analogues.
Chemical Physics Letters, 615.
pp. 69-74.
ISSN 0009-2614; ESSN: 1873-4448
Abstract
Stochastic molecular dynamics simulations were performed to investigate the solvation free energy of 15 neutral amino acid side chain analogues in aqueous and five, 1-butyl-3-methylimidazolium ([BMIM])-based ionic liquids. The results in aqueous were found highly correlated with previous experimental and simulation data. Meanwhile, [BMIM]-based RTILs showed better solvation thermodynamics than water to an extent that they were capable of solvating molecules immiscible in water. Non-polar analogues showed stronger solvation in hydrophobic RTIL anions such as [PF6]− and [Tf2N]− while polar analogues showed stronger solvation in the more hydrophilic RTIL anions such as [Cl]−, [TfO]− and [BF4]−.
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Additional Metadata
| Item Type: | Article |
|---|---|
| Divisions: | Faculty of Science |
| DOI Number: | https://doi.org/10.1016/j.cplett.2014.08.073 |
| Publisher: | Elsevier |
| Keywords: | Solvation free energies; Based ionic liquids; Anion effect; Amino acid side chain analogues |
| Depositing User: | Nurul Ainie Mokhtar |
| Date Deposited: | 06 Jan 2016 03:44 |
| Last Modified: | 06 Jan 2016 03:44 |
| Altmetrics: | http://www.altmetric.com/details.php?domain=psasir.upm.edu.my&doi=10.1016/j.cplett.2014.08.073 |
| URI: | http://psasir.upm.edu.my/id/eprint/35411 |
| Statistic Details: | View Download Statistic |
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