Determination of Solubility of cAMPNa in Water + (Ethanol, Methanol, and Acetone) within 293.15–313.15 K

Yang, Pengpeng; Wen, Qingshi; Wu, Jinglan; Zhuang, Wei; Zhang, Yuehui; Ying, Hanjie

doi:10.1021/ie501000k

Cited by 23 publications

(18 citation statements)

References 34 publications

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“…To more quantitatively describe the solid‐liquid equilibrium, the dependences of solubility data of phenylacetyl‐7‐ADCA on temperature and solvent composition were correlated by the Apelblat model, which is a semiempirical model deduced from the solid‐liquid phase equilibrium. The Apelblat equation is given in Equation (4) [ 19–22 ]

\ln x_{normalA} = a + \frac{b}{T} + c \ln T

where T is the absolute temperature (K) and a , b , and c are empirical constants. To verify the fitting degree of the selected model to the experimental results, mean square deviation (MD) is introduced, which is defined in Equation (5)

MD = 100 \frac{\sum (||, x_{A} - x_{A}^{calc}) / x_{A}}{normalN}

The experimental solubility data and MD are correlated with Equations (4) and (5), respectively.…”

Section: Resultsmentioning

confidence: 99%

“…To more quantitatively describe the solid-liquid equilibrium, the dependences of solubility data of phenylacetyl-7-ADCA on temperature and solvent composition were correlated by the Apelblat model, which is a semiempirical model deduced from the solid-liquid phase equilibrium. The Apelblat equation is given in Equation (4) [19][20][21][22] ln…”

Section: Solubility Data Regressionmentioning

confidence: 99%

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Preparation Process and Growth Mechanism Analysis of Phenylacetyl‐7‐Aminodeacetoxycephalosporanic Acid Crystals with Controllable Morphology

Han

Liu

Zhang

et al. 2020

Crystal Research and Technology

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A recrystallization process for phenylacetyl-7aminodeacetoxycephalosporanic acid (phenylacetyl-7-ADCA) is used to obtain the monoclinic and tetragonal crystal forms. The purity of the process product is 99.7%, which is much higher than the 97.1% of the raw material, while the median (D 50) particle size is larger (144 µm) and the diameter span (DS) is reduced from 10.478 (raw material) to 2.070 (new process product). The results show that in water-ethanol systems when the mole fraction of water is less than 0.5, the products obtained are long rod-shaped, while when the mole fraction of water is greater than 0.5, lamellar crystal products are obtained. The growth mechanism of phenylacetyl-7-ADCA with different habits is analyzed by Materials Studio molecular simulation software. The results show that a large number of oxygen and nitrogen atoms at both ends of the crystal are exposed to the crystal surfaces during the cooling recrystallization process and it is easy to form hydrogen bonds with free phenylacetyl-7-ADCA. Therefore, the crystal surfaces at both ends grow fastest and tend to disappear eventually. This work may provide a preparation process and simulation method for phenylacetyl-7-ADCA crystals, which would help improve the quality of cephalosporins.

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\ln x_{normalA} = a + \frac{b}{T} + c \ln T

MD = 100 \frac{\sum (||, x_{A} - x_{A}^{calc}) / x_{A}}{normalN}

The experimental solubility data and MD are correlated with Equations (4) and (5), respectively.…”

Section: Resultsmentioning

confidence: 99%

Section: Solubility Data Regressionmentioning

confidence: 99%

Preparation Process and Growth Mechanism Analysis of Phenylacetyl‐7‐Aminodeacetoxycephalosporanic Acid Crystals with Controllable Morphology

Han

Liu

Zhang

et al. 2020

Crystal Research and Technology

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“…describe the solid−liquid equilibrium in binary solvent system. 11 It describes the solubility data as a function of solvent composition. The model can be expressed as eq 4:…”

Section: Methodsmentioning

confidence: 99%

“…The (NIBS)/Redlich–Kister model deduced by Acree et al is widely applied to describe the solid–liquid equilibrium in binary solvent system . It describes the solubility data as a function of solvent composition.…”

Section: Thermodynamic Modelsmentioning

confidence: 99%

The Solid–Liquid Equilibrium and Crystal Habit of l-Carnitine Fumarate

Cao

Liu

et al. 2018

J. Chem. Eng. Data

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The solid–liquid equilibrium data of l-carnitine fumarate in methanol + (ethanol/1-propanol/2-propanol) binary mixed systems were determined at temperatures ranging from 288.15 to 328.15 K, while the solubility data of l-carnitine fumarate in (methanol +1-butanol) mixtures were determined from T = (293.15 to 333.15) K because of its low solubility in low temperature. All experimental data were obtained by the gravimetric method under atmospheric pressure. At each composition point, the data increases with the increasing temperature in all determined solutions. A similar trend is also observed when the mole fraction of methanol increases in all binary solvent mixtures for each temperature. It is also found that the solubility data of l-carnitine fumarate in these binary mixtures rank as (methanol + ethanol) > (methanol +1-propanol) > (methanol +2-propanol) > (methanol +1-butanol). The modified Apelblat equation, (CNIBS)/Redlich–Kister model, Solubility–Polarity model, and Jouyban–Acree model were employed to correlate the solubility data determined, and all of them show good agreement with experimental value. Furthermore, the crystal morphology and size distribution of l-carnitine fumarate in different solvents was studied in order to select favorable solvents for good crystal habits.

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“…The CNIBS/R-K model which was proposed by Acree and his coworkers is one of the most widely used models to indicate a connection between the isothermal solubility and binary solvent composition [15][16][17]. It is expressed as follows [18,19]: since the value of N is 2 in binary solvent.…”

Section: Cnibs/r-k Modelmentioning

confidence: 99%

Solubility and dissolution thermodynamic properties of 2-Cyano-4′-methylbiphenyl in binary solvent mixtures

Zhou

Wang

Fang

et al. 2017

Journal of Molecular Liquids

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Determination of Solubility of cAMPNa in Water + (Ethanol, Methanol, and Acetone) within 293.15–313.15 K

Cited by 23 publications

References 34 publications

Preparation Process and Growth Mechanism Analysis of Phenylacetyl‐7‐Aminodeacetoxycephalosporanic Acid Crystals with Controllable Morphology

Preparation Process and Growth Mechanism Analysis of Phenylacetyl‐7‐Aminodeacetoxycephalosporanic Acid Crystals with Controllable Morphology

The Solid–Liquid Equilibrium and Crystal Habit of l-Carnitine Fumarate

Solubility and dissolution thermodynamic properties of 2-Cyano-4′-methylbiphenyl in binary solvent mixtures

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