Solubility modelling and preferential solvation of adenine in solvent mixtures of (N,N-dimethylformamide, N-methyl pyrrolidone, propylene glycol and dimethyl sulfoxide) plus water

Xu, Renjie; Zheng, Min; Farajtabar, Ali; Zhao, Hongkun

doi:10.1016/j.jct.2018.05.030

Cited by 23 publications

(43 citation statements)

References 32 publications

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“…A schematic diagram of the experimental apparatus for determining the solubility of bifonazole is shown in Figure S2 of the Supporting Information, which is not significantly different from the previously used apparatus principle. − Here is a brief description of how it works; first of all, what needs to be described is its circulatory system, which consists of a magnetic stirring rotor, a 100 mL sandwiched beaker, and circulating fluid. The circulating fluid consists of a mixture of isopropanol and water and its temperature is controlled by a thermostatic bath (model: QYHX-1030; Shanghai Joyn Electronic Co., Ltd., China; standard uncertainty 0.05 K).…”

Section: Methodsmentioning

confidence: 99%

“…The mass of bifonazole, methanol, and other organic solvents as well as saturated solutions can be obtained by an analytical balance (model: BSA224S; standard uncertainty 0.0001 g; Satorius Scientific Instrument). The solubility of benzoic acid in toluene is measured to verify the reliability of the experimental setup. , …”

Section: Methodsmentioning

confidence: 99%

“…Throughout the experiment, the mole fraction of bifonazole was obtained at solution equilibrium conditions in mixed solvents by the isothermal static technique, − and the method for analyzing the content of bifonazole in a saturated solution was HPLC (Agilent 1260).…”

Section: Methodsmentioning

confidence: 99%

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Solubility of Bifonazole in Four Binary Solvent Mixtures: Experimental Measurement and Thermodynamic Modeling

Zhang

Huang

2019

J. Chem. Eng. Data

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Methanol (n-propanol, isopropanol, and propylene glycol) and water were mixed in different proportions to form four mixed solvents, which were applied to dissolve bifonazole. The mole fraction of bifonazole was determined by the isothermal dissolution equilibrium technique within T = 278.15–318.15 K and P = 101.1 kPa under the condition that the dissolution system reached equilibrium. The increase in the ratio of organic solvent to water in the mixed solvents and temperature promoted the increase in the solubility of bifonazole. The solvent formed by mixing methanol and water in different proportions was most beneficial for the dissolution of bifonazole in all solution systems at the same percentage of organic solvent and the same temperature. Moreover, the calculated results of the Jouyban–Acree model, the van’t Hoff–Jouyban–Acree model and the modified Apelblat–Jouyban–Acree model are in good agreement with the solubility data of the experimentally measured bifonazole. The mole fraction calculated by the model is not completely consistent with the experimental result, and the maximum average relative deviation between them is 2.76%. The determination of the solubility data of the drug in the mixed solvent is of great value for the improvement of the physical and chemical information of the drug and the analysis of the thermodynamic properties.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

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Solubility of Bifonazole in Four Binary Solvent Mixtures: Experimental Measurement and Thermodynamic Modeling

Zhang

Huang

2019

J. Chem. Eng. Data

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“…Thus, the binary solvent (DMF–methanol, 4:1 v / v ) provided better extraction efficiency than either methanol or ethyl acetate for all four indole compounds and was selected. The use of this binary solvent system (DMF–methanol) has also been reported in the literature as it can provide a wide range of solvent polarity. Using an equation for the calculation of binary solvent polarity, the relative polarity of the DMF–methanol (4:1, v/v) solvent was 0.632, as compared with relative polarity of 0.228, 0.386, and 0.762, for ethyl acetate, DMF, and methanol, respectively .…”

Section: Resultsmentioning

confidence: 99%

Rapid measurement of indole levels in Brassica vegetables using one millilitre binary organic extraction solvent and capillary electrophoresis‐UV analysis

Suparman

Inpota

Phonchai

et al. 2020

Phytochemical Analysis

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Introduction Brassica vegetables contain high levels of indole compounds which have been found to provide health benefits, especially as cancer‐preventive agents. An efficient and rapid method using solvent extraction with capillary electrophoresis (CE) and ultraviolet (UV) detection was developed for the determination of four major indoles from four types of Brassica vegetables. Materials and Methods Freeze‐dried samples of four Brassica vegetables, i.e. broccoli, cauliflower, Chinese cabbage and cabbage, were selected. Hence, 1 mL of the binary solvent dimethylformamide (DMF)–methanol, 4:1 (v/v), was used for sample extraction. The extracts were diluted with the running buffer and directly analysed using CE with UV detection of four indole compounds. Results The binary solvent DMF–methanol, 4:1 (v/v) was selected from studies of the extraction efficiency of standard indoles spiked in ivy gourd (as the negative control sample) and using diphenylamine as the internal standard. Recovery was 80(±10)–120(±3)% for the four indoles: indole‐3‐carbinol (I3C), indole‐3‐acetonitrile (I3A), indole‐3‐acetic acid (IAA), and 3,3′‐diindolylmethane (DIM). For direct analysis suitable dilution of the extract with the running buffer was required. The linear range of the quantitation is 0.75–25.0 μg/mL, limit of detection (LOD) of 0.14–0.52 μg/mL and r2 > 0.998. The amount of indole in the Brassica vegetables are in the order I3C > > IAA, I3A > DIM. Conclusion A rapid method for extraction and quantitation of four indoles in four Brassica vegetables using CE with UV detection was developed. It has the potential as an efficient technique for generating data for use in agricultural and nutritional studies.

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“…The relative standard uncertainty of the determination was estimated to be 0.0020 in mole fraction. The reliability of the apparatus was verified before the experiment by determining the benzoic acid solubility in toluene. , …”

Section: Methodsmentioning

confidence: 99%

Study on Ciprofibrate Equilibrium Solubility and Thermodynamic Correlation in Four Aqueous Cosolvency Mixtures at Saturation

Zhang

2021

J. Chem. Eng. Data

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Drug solubility in the evaluated solvent systems plays an important role in the selection of lead substances in the pre-period of pharmaceutical development and discovery. This work involved five pure solvents as raw materials and formed four sets of mixed solvents according to their pairs by mixing ethylene glycol (EG), ethanol, n-propanol, and N,N-dimethyl formamide (DMF) in water. Taking 278.15 K as the starting temperature and referring to the principle of the isothermal static state, the temperature is gradually increased at 5 K intervals until it reaches 323.15 K. Under normal pressure (101.1 kPa), when the mole fraction of the solute did not change, the value obtained by HPLC was the equilibrium solubility of ciprofibrate. The obtained ciprofibrate solubility values were described mathematically by the Jouyban–Acree model, Van’t Hoff–Jouyban–Acree model, and modified Apelblat–Jouyban–Acree model, and the maximums of RAD and rmsd obtained from the three cosolvency models were 1.43 × 10–2 and 8.15 × 10–4, respectively. The solubility order circumstances of ciprofibrate at the temperature range of 278.15–323.15 K were as follows: water (2.653 × 10–6 at 323.15 K) < EG (8.227 × 10–2 at 323.15 K) < n-propanol (0.1693 at 323.15 K) < ethanol (0.3123 at 323.15 K) < DMF (0.4075 at 323.15 K). From the point of view of temperature, the influence on the solute cannot be ignored. The amount of ciprofibrate dissolved from a low value to a high value with the temperature from low to high. In addition, the difference was that the water content of the mixed solvent was repulsive to the dissolution of the solute. When the water content increased from low to high, the mole fraction of ciprofibrate decreased from high to low. The obtained model parameters gave the best description of the ciprofibrate solubility behaviors, and the Jouyban–Acree model could be fitted with good results. All of the achieved values of ciprofibrate in this study provide useful information for the purification and recrystallization processes in pharmaceutical sciences.

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Solubility modelling and preferential solvation of adenine in solvent mixtures of (N,N-dimethylformamide, N-methyl pyrrolidone, propylene glycol and dimethyl sulfoxide) plus water

Cited by 23 publications

References 32 publications

Solubility of Bifonazole in Four Binary Solvent Mixtures: Experimental Measurement and Thermodynamic Modeling

Solubility of Bifonazole in Four Binary Solvent Mixtures: Experimental Measurement and Thermodynamic Modeling

Rapid measurement of indole levels in Brassica vegetables using one millilitre binary organic extraction solvent and capillary electrophoresis‐UV analysis

Study on Ciprofibrate Equilibrium Solubility and Thermodynamic Correlation in Four Aqueous Cosolvency Mixtures at Saturation

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