Solubilisation of Dexamethasone: Experimental Data, Co-Solvency and Polarised Continuum Modelling

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Solubilisation of Dexamethasone: Experimental Data, Co-Solvency and Polarised Continuum Modelling Publisher

Maheri A¹ ; Ghanbarpour P² ; Rahimpour E³ ; Jouyban A^{5, 6} ; Azarbayjani AF^{7, 8} ; Kouhkan M⁹

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1. Student Research Committee, Urmia University of Medical Sciences, Urmia, Iran
2. Department of Food and Drug, Alborz University of Medical Sciences, Karaj, Iran
3. Food and Drug Safety Research Center, Tabriz University of Medical Sciences, Tabriz, Iran
4. Department of Chemistry, University of North Texas, Denton, TX, United States
5. Pharmaceutical Analysis Research Center, Faculty of Pharmacy, Tabriz University of Medical Sciences, Tabriz, Iran
6. Digestive Diseases Research Institute, Tehran University of Medical Sciences, Tehran, Iran
7. Solid Tumor Research Center, Urmia University of Medical Sciences, Urmia, Iran
8. Department of Pharmaceutics, School of Pharmacy, Urmia University of Medical Science, Urmia, Iran
9. Department of Medicinal Chemistry, School of Pharmacy, Urmia University of Medical Sciences, Urmia, Iran

Source: Physics and Chemistry of Liquids Published:2021

Abstract

Experimental solubility of dexamethasone was obtained in binary aqueous mixtures of ethanol, methanol and acetonitrile at 298.2 K. The effects of micellization and pH were also investigated on the solubility of the drug. Experimental solubility data in the binary solvent mixtures were correlated by three co-solvency models, i.e. Yalkowsky, CNIBS/R-K, and the modified Wilson model. A new principle has also been investigated with the purpose of modelling drug solubility in the binary solvent mixtures using Polarised Continuum Model (PCM) by using the hybrid functional B3LYP method and 6–311++G** basis set. By matching experimental data with PCM modelling, we investigated the outcome of drug solubility in various mass fractions of binary solvent mixtures. Here we report the solute-solvent interaction energy as free energy of solvation (∆Gsol), total electrostatic energy, dipole moment, total Gibbs-free energy and dielectric constant (ε) of dexamethasone in various mass fractions of ethanol + water mixtures. © 2020 Informa UK Limited, trading as Taylor & Francis Group.

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Style	Citing Format
MLA	Maheri A, et al.. "Solubilisation of Dexamethasone: Experimental Data, Co-Solvency and Polarised Continuum Modelling." Physics and Chemistry of Liquids, vol. 59, no. 6, 2021, pp. 817-826.
APA	Maheri A, Ghanbarpour P, Rahimpour E, Jouyban A, Azarbayjani AF, Kouhkan M (2021). Solubilisation of Dexamethasone: Experimental Data, Co-Solvency and Polarised Continuum Modelling. Physics and Chemistry of Liquids, 59(6), 817-826.
Chicago	Maheri A, Ghanbarpour P, Rahimpour E, Jouyban A, Azarbayjani AF, Kouhkan M. "Solubilisation of Dexamethasone: Experimental Data, Co-Solvency and Polarised Continuum Modelling." Physics and Chemistry of Liquids 59, no. 6 (2021): 817-826.
Harvard	Maheri A et al. (2021) 'Solubilisation of Dexamethasone: Experimental Data, Co-Solvency and Polarised Continuum Modelling', Physics and Chemistry of Liquids, 59(6), pp. 817-826.
Vancouver	Maheri A, Ghanbarpour P, Rahimpour E, Jouyban A, Azarbayjani AF, Kouhkan M. Solubilisation of Dexamethasone: Experimental Data, Co-Solvency and Polarised Continuum Modelling. Physics and Chemistry of Liquids. 2021;59(6):817-826.
BibTex	@article{ author = {Maheri A and Ghanbarpour P and Rahimpour E and Jouyban A and Azarbayjani AF and Kouhkan M}, title = {Solubilisation of Dexamethasone: Experimental Data, Co-Solvency and Polarised Continuum Modelling}, journal = {Physics and Chemistry of Liquids}, volume = {59}, number = {6}, pages = {817-826}, year = {2021} }
RIS	TY - JOUR AU - Maheri A AU - Ghanbarpour P AU - Rahimpour E AU - Jouyban A AU - Azarbayjani AF AU - Kouhkan M TI - Solubilisation of Dexamethasone: Experimental Data, Co-Solvency and Polarised Continuum Modelling JO - Physics and Chemistry of Liquids VL - 59 IS - 6 SP - 817 EP - 826 PY - 2021 ER -

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