Solubility determination, computational modeling, Hansen solubility parameters and apparent thermodynamic analysis of brigatinib in (ethanol + water) mixtures
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Saad M. Alshahrani
,
Munerah M. Alfadhel
Abstract
The solubility and various thermodynamic parameters of an antitumor drug brigatinib (BRN) in various ethanol (EtOH) + water (H2O) mixtures were determined in this study. The mole fraction solubility (xe) of BRN in various (EtOH + H2O) mixtures including pure EtOH and pure H2O was obtained at T = 298.2–323.2 K and p = 0.1 MPa by adopting a saturation shake flask method. Hansen solubility parameters (HSPs) of BRN, pure EtOH, pure H2O and (EtOH + H2O) mixtures free of BRN were also computed. The xe values of BRN were correlated using Van’t Hoff, Apelblat, Yalkowsky–Roseman, Jouyban–Acree and Jouyban–Acree–Van’t Hoff models with mean errors of <2.0%. The maximum and minimum xe value of BRN was obtained in pure EtOH (1.43 × 10−2 at T = 323.2 K) and pure H2O (3.08 × 10−6 at T = 298.2 K), respectively. The HSP of BRN was also found more closed with that of pure EtOH. The xe value of BRN was obtained as increasing significantly with the rise in temperature and increase in EtOH mass fraction in all (EtOH + H2O) mixtures including pure EtOH and pure H2O. The data of apparent thermodynamic analysis showed an endothermic and entropy-driven dissolution of BRN in all (EtOH + H2O) mixtures including pure EtOH and pure H2O.
Funding source: Prince Sattam bin Abdulaziz
Award Identifier / Grant number: 2020/03/11935
Acknowledgments
This project work was supported by the Deanship of Scientific Research (DSR) at Prince Sattam bin Abdulaziz University under the research project number (2020/03/11935).
Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
Research funding: None declared.
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
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© 2020 Walter de Gruyter GmbH, Berlin/Boston
Articles in the same Issue
- Frontmatter
- Original Papers
- Solubility determination, computational modeling, Hansen solubility parameters and apparent thermodynamic analysis of brigatinib in (ethanol + water) mixtures
- Solubilization, Hansen solubility parameters and apparent thermodynamic parameters of Osimertinib in (propylene glycol + water) cosolvent mixtures
- Astaxanthin–garlic oil nanoemulsions preparation using spontaneous microemulsification technique: optimization and their physico–chemical properties
- In-situ stabilization of silver nanoparticles in polymer hydrogels for enhanced catalytic reduction of macro and micro pollutants
- Kinetic and equilibrium study of (poly amido amine) PAMAM dendrimers for the removal of chromium from tannery wastewater
- Experimental modeling, optimization and comparison of coagulants for removal of metallic pollutants from wastewater
- ZnO, CuO and Fe2O3 green synthesis for the adsorptive removal of direct golden yellow dye adsorption: kinetics, equilibrium and thermodynamics studies
- Kinetic and thermodynamic studies for evaluation of adsorption capacity of fungal dead biomass for direct dye
Articles in the same Issue
- Frontmatter
- Original Papers
- Solubility determination, computational modeling, Hansen solubility parameters and apparent thermodynamic analysis of brigatinib in (ethanol + water) mixtures
- Solubilization, Hansen solubility parameters and apparent thermodynamic parameters of Osimertinib in (propylene glycol + water) cosolvent mixtures
- Astaxanthin–garlic oil nanoemulsions preparation using spontaneous microemulsification technique: optimization and their physico–chemical properties
- In-situ stabilization of silver nanoparticles in polymer hydrogels for enhanced catalytic reduction of macro and micro pollutants
- Kinetic and equilibrium study of (poly amido amine) PAMAM dendrimers for the removal of chromium from tannery wastewater
- Experimental modeling, optimization and comparison of coagulants for removal of metallic pollutants from wastewater
- ZnO, CuO and Fe2O3 green synthesis for the adsorptive removal of direct golden yellow dye adsorption: kinetics, equilibrium and thermodynamics studies
- Kinetic and thermodynamic studies for evaluation of adsorption capacity of fungal dead biomass for direct dye
