Measurement and correlation of the solubility of rivaroxaban (form I) in binary mixtures of ethyl acetate with tetrahydrofuran, N,N-dimethylformamide, and N,N-dimethylacetamide from T=(278.15 to 318.15)K

Zhang, Mudan; Fang, Zhenxuan; Zhai, Jinghuan; Mao, Shimin; Zhang, Lijuan; Rohani, Sohrab; Lü, Jie

doi:10.1016/j.jct.2015.10.016

Cited by 16 publications

(2 citation statements)

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“…The solid–liquid equilibria of ( d )- and ( d , l )-penicillamine were achieved in the binary mixture solvent of ethanol and water with a molar ratio of 1:5 by a static method from 273.15 to 343.15 K at atmospheric pressure. , All experiments were carried out in double-jacketed crystallizers with a working volume of 50 mL. The suspensions in the crystallizers were sufficiently stirred by a magnetic stirrer at the setting temperatures.…”

Section: Experimental Sectionmentioning

confidence: 99%

Experimental and Molecular Dynamics Simulation Study on the Primary Nucleation of Penicillamine Racemate and Its Enantiomers in the Mixture Solvent of Water and Ethanol

Wang

Lü

Zhang

et al. 2020

Ind. Eng. Chem. Res.

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In this work, the solubilities of (D)-and (D,L)penicillamine were first experimentally measured in the binary mixtures of ethanol and water. Then, the primary nucleation rate and various nucleation parameters of (D)-, (L)-, and (D,L)penicillamine crystals were derived by the classical nucleation theory. Finally, molecular dynamics simulations were employed to investigate the intermolecular interactions and the nucleation kinetics through radial distribution function analysis and the Yasuoka−Matsumoto method, respectively. The simulation results were generally consistent with those of experiments. Under the same conditions, the enantiomeric crystals nucleated preferentially than the racemic, and the nucleation rate of the former was higher than that of the latter. Meanwhile, the appearance probability of (D)-penicillamine crystals was greater than that of (L)-penicillamine at low supersaturation levels, and both of them tended to be equal with the increase of the supersaturation level.

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Section: Experimental Sectionmentioning

confidence: 99%

Experimental and Molecular Dynamics Simulation Study on the Primary Nucleation of Penicillamine Racemate and Its Enantiomers in the Mixture Solvent of Water and Ethanol

Wang

Lü

Zhang

et al. 2020

Ind. Eng. Chem. Res.

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“…The average of relative deviations (ARD) is defined as where k H exp is calculated from each experimental data point and k H fit is the slope of linear isotherms by the fitting of the equilibrium pressure versus the mole fraction of acetylene.…”

Section: Resultsmentioning

confidence: 99%

Solubility of Acetylene in Alcohols and Ketones

Huang

2018

J. Chem. Eng. Data

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The solubilities of acetylene in 1,4-butylene glycol, diethylene glycol, linalool, ethylene glycol, isopropanol, isobutanol, butyl alcohol, 1-methyl-2-pyrrolidinone, 2-pyrrolidinone, N-vinylpyrrolidone, 6-methyl-5-hepten-2-one, and geranyl acetone were studied in the temperature range of 278.15 to 318.15 K and in the pressure range of 0.03 to 0.25 MPa. The Henry's law constants were calculated from the slope of the linear isotherms of pressure versus the mole fraction of acetylene. Thermodynamic properties such as the Gibbs free energy, enthalpy, and entropy changes of dissolution of acetylene in the alcohols and ketones were calculated.

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Crystal characterization and transformation of the forms I and II of anticoagulant drug rivaroxaban

Liu

et al. 2017

Crystal Research and Technology

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The crystal forms I and II of rivaroxaban were characterized by powder X-ray diffraction (PXRD), differential scanning calorimetry (DSC) and Fourier transform infrared (FTIR) spectroscopy. Powder dissolution testing was carried out at 310.15 K in the dissolution media at pH = 1.0 and pH = 6.8, respectively. The solution-mediated phase transformation from form II to form I was investigated under different temperature, slurry density and stirring speed, respectively, by use of the FTIR spectroscopy. The results showed that, the two forms were monotropically-related, and in the both dissolution media the concentration of form II was obviously higher than that of form I at the same time which demonstrated that form II was the metastable form. Among the evaluated solid-state kinetic models the Prout-Tompkins and Avrami-Erofeev (n = 3) equations gave a satisfactory correlation of the phase transformation process from form II to form I. The activation energy of phase transformation was calculated as 19.151 kJ·mol −1 by means of Arrhenius analysis. In addition, the phase transformation rate increased with increasing temperature, slurry density and stirring speed.

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Measurement and correlation of the solubility of rivaroxaban (form I) in binary mixtures of ethyl acetate with tetrahydrofuran, N,N-dimethylformamide, and N,N-dimethylacetamide from T=(278.15 to 318.15)K

Cited by 16 publications

References 20 publications

Experimental and Molecular Dynamics Simulation Study on the Primary Nucleation of Penicillamine Racemate and Its Enantiomers in the Mixture Solvent of Water and Ethanol

Experimental and Molecular Dynamics Simulation Study on the Primary Nucleation of Penicillamine Racemate and Its Enantiomers in the Mixture Solvent of Water and Ethanol

Solubility of Acetylene in Alcohols and Ketones

Crystal characterization and transformation of the forms I and II of anticoagulant drug rivaroxaban

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