Estimating the Solubility, Solution Thermodynamics, and Molecular Interaction of Aliskiren Hemifumarate in Alkylimidazolium Based Ionic Liquids

Anwer, Md. Khalid; Mohammad, Mohammad Amin; Iqbal, Muzaffar; Ali, Raisuddin; Almutairy, Bjad K.; Alshetaili, Abdullah; Alshahrani, Saad; Aldawsari, Mohammed F.; Alalaiwe, Ahmed; Shakeel, Faiyaz

doi:10.3390/molecules24152807

Cited by 18 publications

(17 citation statements)

References 28 publications

(50 reference statements)

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“…The shaking speed and equilibrium time were set at 100 rpm and 3 days, respectively. After 3 days, each sample was taken out from the shaker, and the PPD particles were allowed to settle for about 24 h [22,39]. After settling, the required amounts of supernatants from each sample matrix were withdrawn and diluted with the mobile phase (wherever applicable).…”

Section: Methodsmentioning

confidence: 99%

“…The obtained samples were quantified for the PPD contents via the proposed HPLC-UV method at 254 nm. The x e values of PPD were obtained using Equation (10) [32,39]:xe= m1/M1m1/M1+m2/M2, Here, m 1 = mass of PPD (g); m 2 = mass of respective pharmaceutical solvent (g); M 1 = molar mass of PPD (g·mol −1 ); and M 2 = molar mass of respective pharmaceutical solvent (g·mol −1 ).…”

Section: Methodsmentioning

confidence: 99%

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Synthesis, Characterization and Solubility Determination of 6-Phenyl-pyridazin-3(2H)-one in Different Pharmaceutical Solvents

et al. 2019

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The current research work proposed the solubility data and solution thermodynamic properties of the cardiovascular agent 6-phenylpyridazin-3(2H)-one [PPD] in twelve pharmaceutical solvents at “T = 298.2 K to 318.2 K” and “p = 0.1 MPa”. The measured solubilities of PPD were regressed well with “van’t Hoff and Apelblat models”. The solid phases of pure and equilibrated PPD were characterized using differential scanning calorimetry and powder X-ray differactometry, and the results suggested no transformation of PPD into solvates/hydrates/polymorphs after equilibrium. The solubilities of PPD in a mole fraction at “T = 318.2 K” were noted at a maximum in dimethyl sulfoxide (DMSO, 4.73 × 10−1), followed by polyethylene glycol-400 (PEG-400, 4.12 × 10−1), Transcutol® (3.46 × 10−1), ethyl acetate (EA, 81 × 10−2), 2-butanol (2.18 × 10−2), 1-butanol (2.11 × 10−2), propylene glycol (PG, 1.50 × 10−2), isopropyl alcohol (IPA, 1.44 × 10−2), ethylene glycol (EG, 1.27 × 10−2), ethanol (8.22 × 10−3), methanol (5.18 × 10−3) and water (1.26 × 10−5). Similar tendencies were also noted at other studied temperatures. The results of the “apparent thermodynamic analysis” showed an endothermic and entropy-driven dissolution of PPD in all pharmaceutical solvents. The results of the activity coefficients suggested a maximum interaction at the molecular level in PPD-DMSO, PPD-PEG-400 and PPD-Transcutol, compared with other combination of the solute and solvents.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Synthesis, Characterization and Solubility Determination of 6-Phenyl-pyridazin-3(2H)-one in Different Pharmaceutical Solvents

et al. 2019

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“…Hence, HSP for ECT, pure PEG-400, pure water and various "PEG-400 + water" mixtures free of ECT were computed in this study. The δ values for ECT, pure PEG-400 and pure water were computed using the following Equation [37][38][39]:…”

Section: Hsps Of Ect and Various "Peg-400 + Water" Mixturesmentioning

confidence: 99%

Solubility, Hansen Solubility Parameters and Thermodynamic Behavior of Emtricitabine in Various (Polyethylene Glycol-400 + Water) Mixtures: Computational Modeling and Thermodynamics

2020

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This study was aimed to find out the solubility, thermodynamic behavior, Hansen solubility parameters and molecular interactions of an antiviral drug emtricitabine (ECT) in various “[polyethylene glycol-400 (PEG-400) + water]” mixtures. The solubility of ECT in mole fraction was determined at “T = 298.2 to 318.2 K” and “p = 0.1 MPa” using an isothermal method. The experimental solubilities of ECT in mole fraction were validated and correlated using various computational models which includes “Van’t Hoff, Apelblat, Yalkowsky-Roseman, Jouyban-Acree and Jouyban-Acree-Van’t Hoff models”. All the models performed well in terms of model correlation. The solubility of ECT was increased with the raise in temperature in all “PEG-400 + water” mixtures studied. The highest and lowest solubility values of ECT were found in pure PEG-400 (1.45 × 10−1) at “T = 318.2 K” and pure water (7.95 × 10−3) at “T = 298.2 K”, respectively. The quantitative values of activity coefficients indicated higher interactions at molecular level in ECT and PEG-400 combination compared with ECT and water combination. “Apparent thermodynamic analysis” showed an “endothermic and entropy-driven dissolution” of ECT in all “PEG-400 + water” combinations studied. The solvation nature of ECT was found an “enthalpy-driven” in each “PEG-400 + water” mixture studied.

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“…Therefore, HSP for FFA, neat Carbitol and neat water were estimated in this work. The total HSP (δ t ) value for FFA, pure Carbitol and pure water was estimated using the following equation [25][26][27][28]:…”

Section: Hansen Solubility Parameters (Hsps) Of Ffa and Pure Solventsmentioning

confidence: 99%

Solubilization, Hansen Solubility Parameters, Solution Thermodynamics and Solvation Behavior of Flufenamic Acid in (Carbitol + Water) Mixtures

Shakeel

Alshehri

2020

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The solubilization, solution thermodynamics, solvation behavior and Hansen solubility parameters (HSPs) of an anti-inflammatory medicine flufenamic acid (FFA) in various Carbitol + water mixtures were evaluated in this study. The experimental solubility of FFA in mole fraction (xe) was measured at T = 298.2–318.2 K and p = 0.1 MPa using a static equilibrium method. The xe values of FFA in various Carbitol + water mixtures were correlated with van’t Hoff, Apelblat, Yalkowsky–Roseman, Jouyban–Acree and Jouyban–Acree–van’t Hoff models. All the studied models showed good correlation with mean error values of less than 2%. The xe value of FFA was found to increase significantly with the increase in temperature and Carbitol mass fraction in all Carbitol + water mixtures evaluated. The maximum and minimum xe values of FFA were recorded in pure Carbitol (2.81 × 10−1) at T = 318.2 K and pure water (5.80 × 10−7) at T = 298.2 K, respectively. Moreover, the HSP of FFA was found to be more closed with that of pure Carbitol, indicating the maximum solubility of FFA in pure Carbitol. The estimated values of activity coefficients showed higher molecular interactions in FFA–Carbitol combinations compared with FFA–water combinations. Thermodynamic studies indicated an endothermic and entropy-driven dissolution of FFA in all Carbitol + water mixtures. The solvation behavior of FFA was observed as enthalpy driven in all Carbitol + water combinations evaluated.

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Estimating the Solubility, Solution Thermodynamics, and Molecular Interaction of Aliskiren Hemifumarate in Alkylimidazolium Based Ionic Liquids

Cited by 18 publications

References 28 publications

Synthesis, Characterization and Solubility Determination of 6-Phenyl-pyridazin-3(2H)-one in Different Pharmaceutical Solvents

Synthesis, Characterization and Solubility Determination of 6-Phenyl-pyridazin-3(2H)-one in Different Pharmaceutical Solvents

Solubility, Hansen Solubility Parameters and Thermodynamic Behavior of Emtricitabine in Various (Polyethylene Glycol-400 + Water) Mixtures: Computational Modeling and Thermodynamics

Solubilization, Hansen Solubility Parameters, Solution Thermodynamics and Solvation Behavior of Flufenamic Acid in (Carbitol + Water) Mixtures

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