Solubility determination and thermodynamic characterization of orotic acid in twelve pure solvents and four binary mixed solvents

Wang, Rensong; Chen, Chen; Yang, Wenge; Zhou, Peng; Zhu, Fu Rong; Xu, Hanhan; Hu, Guoxing; Sun, Wei; Shen, Weiliang; Hu, Yonghong

doi:10.1016/j.molliq.2021.117335

Cited by 15 publications

(10 citation statements)

References 39 publications

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“…In the experimental data figures (Figure ), with the increase of temperature, the solubility curves showed crossover phenomenon to varying degrees, indicating that the solubility of TMCA in different solvents was sensitive to temperature changes in different degrees, so the solubility increasing rate was different, and each solubility curve also had different change rules. In terms of the polarity of solvent (water = 100), − methanol (76.2) > ethanol (65.4) > n -propanol (61.7) > n -butanol (60.2) > isobutanol (55.2) > isopropanol (54.6) > acetonitrile (46) > acetone (35.5) > methyl acetate (29) > ethyl acetate (23). The experimental results show that the solubility of TMCA in monosolvents is not completely dependent on the influence of solvent polarity but may also be related to the length of the carbon chain, functional group, and molecular size.…”

Section: Resultsmentioning

confidence: 99%

“…According to these two data, the molar volume of TMCA is V s = 197.0554 cm 3 mol –1 . The values of α, β, π*, and δ H are listed in Table , IBM SPSS statistical software was used to conduct multiple regression analysis on the solubility of TMCA at 298.15 K, and the KAT-LSER formula of TMCA was obtained, which can be expressed as where n represents the data quantity of 11 monosolvents, R 2 represents correlation coefficient, and F is F -test. According to the solubility data of 11 monosolvents, the KAT-LSER model fitted has a good correlation.…”

Section: Resultsmentioning

confidence: 99%

“…It can be seen from the figure that the melting point (T m ) of TMCA is 399.95K, and the standard uncertainty of the melting temperature is 0.3 K. The experimental temperature range selected in this study (T = 278.15−323.15 K) was far lower than the melting point temperature of TMCA (T = 399.95 K), so the physical and chemical properties of the drug were stable in the whole process, and the experimental data were reliable, and this was also mentioned in other literature studies. 27,29,30 4.2. XRD Analysis.…”

Section: Resultsmentioning

confidence: 99%

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Measurement and Analysis of Solvent Behavior and Thermodynamic Properties of 3,4,5-Trimethoxycinnamic Acid in Industrial Common Solvents with Different Temperatures (T = 278.15–323.15 K)

et al. 2022

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Herein, the solubility and thermodynamic characterization solubility of 3,4,5-trimethoxycinnamic acid (TMCA) were studied by a static equilibrium method combined with high-performance liquid chromatography (HPLC), which provided a significant reference for crystallization and industrial separation of TMCA. First, the solubility data of TMCA was measured in 11 industrial common solvents and 4 binary mixed solvents at different temperatures (278.15–323.15 K) under atmospheric pressure. The results showed that the solubility of TMCA in the test solvents was positively correlated with temperature. In binary solvents, the increase in the mole fraction of the cosolvent also facilitated the dissolution of TMCA. Then, the monosolvent solubility data obtained in the experiment were fitted by the Buchowski–Ksiazaczak λh model and modified Apelblat model. The binary mixed solvent solubility data obtained in the experiment were fitted by the CNIBS/R–K model, Jouyban–Acree model, and SUN model. Meanwhile, the KAT-LSER model was also used to explore the effect of the solvation of TMCA. Furthermore, as can be seen from differential scanning calorimetry (DSC) and X-ray diffraction (XRD) analyses, the purity of the sample is without crystal transformation before and after dissolution, indicating that the physical and chemical properties of the TMCA sample are stable in the experimental process, and the experimental data have good accuracy and reliability.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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Measurement and Analysis of Solvent Behavior and Thermodynamic Properties of 3,4,5-Trimethoxycinnamic Acid in Industrial Common Solvents with Different Temperatures (T = 278.15–323.15 K)

et al. 2022

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“…C 2 and C 3 imply the effect of solute characteristics on hydrogen bonding of the system during dissolution. 29,31,32 C 1 and C 4 are the sensitivity of nonspecific solute−solvent interactions. 32 C 0 means the intercept value of the curve, which depends only on the nature of the solute.…”

Section: B B X B X B X B X Lnmentioning

confidence: 99%

“…29,31,32 C 1 and C 4 are the sensitivity of nonspecific solute−solvent interactions. 32 C 0 means the intercept value of the curve, which depends only on the nature of the solute. 29 The values of α, β, π*, and δ H are listed in Table 10.…”

Section: B B X B X B X B X Lnmentioning

confidence: 99%

Solubility Measurements of 2-(Diacetoxymethyl)-5-nitrofuran in Pure and Binary Mixture Solvents

Feng

2022

J. Chem. Eng. Data

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In this paper, the solubility of 2-(diacetoxymethyl)-5-nitrofuran in pure methanol, 1-propanol, ethyl acetate, N,N-dimethylformamide, tetrahydrofuran, acetonitrile, acetone, 1,4-dioxane, water, hexane, and toluene and also in (acetonitrile + tetrahydrofuran) binary mixtures with temperatures at T = (278.15–323.15) K at atmospheric pressure was first measured by a gravimetric method. The experimental results reveal that the solubility of 2-(diacetoxymethyl)-5-nitrofuran increases with the increasing temperature in all solvents selected. The modified Apelblat model and the Buchowski–Ksiazaczak λh model were used to correlate the experimental solubility in all pure solvents. Solubility data of (acetonitrile + tetrahydrofuran) binary solvent mixtures were fitted by the Jouyban–Acree model and the combined nearly ideal binary solvent/Redlich–Kister (CNIBS/R-K) model. All the models could be well applied; the modified Apelblat model stood out to be more suitable with a higher accuracy in pure solvent systems, and the combined CNIBS/R-K model provides a superior correlation in the binary solvent systems. The properties of the solute and the solvent were combined, and the Kamlet–Taft linear solvation energy relationship (KAT-LSER) model was used to investigate the solvation effect of 2-(diacetoxymethyl)-5-nitrofuran in the dissolution process. According to the results, the solubility of 2-(diacetoxymethyl)-5-nitrofuran mainly depends on the dipolarity of the investigated solvents, and the proportion of its total solvent effect is 34.3%. We also discussed the effect of the interaction between solvents and solute on solubility. We hope that these experimental data are helpful for technological research and drug purification production.

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Solubility Determination and Model Evaluation of Triethylamine Hydrochloride in Three Binary Mixed Solvents

Zhang,

Zong,

Teng

et al. 2024

J Solution Chem

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Solubility determination and thermodynamic characterization of orotic acid in twelve pure solvents and four binary mixed solvents

Cited by 15 publications

References 39 publications

Measurement and Analysis of Solvent Behavior and Thermodynamic Properties of 3,4,5-Trimethoxycinnamic Acid in Industrial Common Solvents with Different Temperatures (T = 278.15–323.15 K)

Measurement and Analysis of Solvent Behavior and Thermodynamic Properties of 3,4,5-Trimethoxycinnamic Acid in Industrial Common Solvents with Different Temperatures (T = 278.15–323.15 K)

Solubility Measurements of 2-(Diacetoxymethyl)-5-nitrofuran in Pure and Binary Mixture Solvents

Solubility Determination and Model Evaluation of Triethylamine Hydrochloride in Three Binary Mixed Solvents

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