Solubility modelling and solvent effect for domperidone in twelve green solvents

Zheng, Min; Chen, Jiao; Chen, Gaoquan; Farajtabar, Ali; Zhao, Hongkun

doi:10.1016/j.molliq.2018.03.121

Cited by 41 publications

(24 citation statements)

References 28 publications

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“…Accordingly, it is very important to know the solubility of domperidone for many pharmaceutical systems. A widespread analysis of the previous works demonstrates that the solubility data of domperidone in neat water and in various pH solutions is available. − Recently, Zheng and co-workers reported the domperidone solubility in 12 green solvents from 278.15 to 318.15 K . However, the physicochemical properties of domperidone in mixed solvents have not yet been investigated.…”

Section: Introductionmentioning

confidence: 86%

“…However, the physicochemical properties of domperidone in mixed solvents have not yet been investigated. The results show that the mole fraction solubility of domperidone rises nearly 10 2 –10 3 -fold in going from pure water to neat isopropanol, N , N -dimethylformamide (DMF), ethanol, and dimethyl sulfoxide (DMSO) . This case indicates the existence of preferential solvation of domperidone in the aqueous cosolvent solutions. , This case impels our research team to perform further investigation on the preferential solvation and solubility of domperidone in cosolvent + water solutions.…”

Section: Introductionmentioning

confidence: 86%

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Domperidone Solubility in Aqueous Cosolvent Mixtures of N,N-Dimethylformamide, Isopropanol, Dimethyl Sulfoxide, and Ethanol: Thermodynamic Modeling and Preferential Solvation Analysis

Zheng

Zhao

2019

J. Chem. Eng. Data

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The determination of solubility of domperidone in aqueous cosolvent mixtures of isopropanol, N,N-dimethylformamide (DMF), dimethyl sulfoxide (DMSO), and ethanol was carried out by a shake-flask method over the temperatures from 293.15 to 333.15 K under local atmospheric pressure p = 101.1 kPa. It may be observed that the domperidone solubility increased and then decreased as the mass fractions of DMF (DMSO, isopropanol, or ethanol) increased. The maximum solubility data was found with the cosolvent composition of 0.8 in mass fraction. The determined solubility values were correlated using the Jouyban–Acree, van’t Hoff–Jouyban–Acree, and Apelblat–Jouyban–Acree models. The attained average relative deviations were smaller than 7.56%. Preferential solvation analysis of domperidone was performed by the inverse Kirkwood–Buff integral method. The preferential solvation parameters (δx 1,3) by the cosolvent showed positive values in the composition regions of 0.20 < x 1 < 0.50 for DMF, 0.24 < x 1 < 0.55 for isopropanol, 0.20 < x 1 < 0.45 for DMSO, and 0.24 < x 1 < 0.61 for ethanol. Domperidone was solvated preferentially by the cosolvents in these regions. We may conjecture that the drug acts as a Lewis acid in the presence of isopropanol (DMF, DMSO, and ethanol) molecules.

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Section: Introductionmentioning

confidence: 86%

Section: Introductionmentioning

confidence: 86%

Domperidone Solubility in Aqueous Cosolvent Mixtures of N,N-Dimethylformamide, Isopropanol, Dimethyl Sulfoxide, and Ethanol: Thermodynamic Modeling and Preferential Solvation Analysis

Zheng

Zhao

2019

J. Chem. Eng. Data

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“…It also has a very similar polarity and solvency power to NMP, DMF, and DMAC, which can effectively dissolve many types of polymers such as polysulfone (PSU) and polyvinylidene fluoride (PVDF), making it a good candidate for toxic solvent replacement [ 70 ]. In some studies, DMSO was reported to be a green, highly polar and water miscible organic solvent which does not have a harmful impact on the environment [ 24 , 72 ]. DMSO is made of lignin, a natural compound from tree cells which acts as glue giving to their mechanical structure.…”

Section: Substrate Preparation Via Phase Inversionmentioning

confidence: 99%

Green Approaches for Sustainable Development of Liquid Separation Membrane

et al. 2021

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Water constitutes one of the basic necessities of life. Around 71% of the Earth is covered by water, however, not all of it is readily available as fresh water for daily consumption. Fresh water scarcity is a chronic issue which poses a threat to all living things on Earth. Seawater, as a natural resource abundantly available all around the world, is a potential water source to fulfil the increasing water demand. Climate-independent seawater desalination has been touted as a crucial alternative to provide fresh water. While the membrane-based desalination process continues to dominate the global desalination market, the currently employed membrane fabrication materials and processes inevitably bring adverse impacts to the environment. This review aims to elucidate and provide a comprehensive outlook of the recent efforts based on greener approaches used for desalination membrane fabrication, which paves the way towards achieving sustainable and eco-friendly processes. Membrane fabrication using green chemistry effectively minimizes the generation of hazardous compounds during membrane preparation. The future trends and recommendations which could potentially be beneficial for researchers in this field are also highlighted.

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“…In the model association, the cross-interaction parameters (τ ij ) between the solvent and the solute in the NRTL model are assumed to be linear with temperature and are shown in eq − where a ij and b ij are model parameters, which are independent of temperature and composition.…”

Section: Solid–liquid Phase Equilibrium Modelsmentioning

confidence: 99%

“…The binary cross-interaction parameters Λ ij in the Wilson model is assumed to be in a linear relationship with the temperature, − and it can be expressed as where a ij and b ij are model parameters and are independent of temperature and composition.…”

Section: Solid–liquid Phase Equilibrium Modelsmentioning

confidence: 99%

Solid–Liquid Phase Equilibrium of Isophthalonitrile in 16 Solvents from T = 273.15 to 324.75 K and Mixing Properties of Solutions

Guan

Yang

et al. 2021

J. Chem. Eng. Data

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The solid−liquid equilibrium of isophthalonitrile (IPN) in 16 solvents (methanol, ethanol, n-propanol, isopropanol, acetone, ethyl acetate, acetonitrile, chloroform, cyclohexanone, cyclopentanone, methyl acetate, ethyl formate, 2-pentanone, tetrahydrofuran, toluene, and diethyl ether) was measured by using a static equilibrium method at temperatures T = 273.15−324.75 K under atmospheric pressure. The results demonstrated that the solubility of IPN in these 16 monosolvents increased with increasing temperature. The largest solubility values of IPN were found in cyclopentanone, and the lowest were in isopropanol. The values of solubility in ketones were much larger than those in esters and alcohols. In alcohols, the solubility ranked as methanol > ethanol > n-propanol > isopropanol, and the sequence was identical to that of the solvent polarities. The polarity of the solvent is an important factor influencing the solubility profiles of IPN in alcohols, despite that the conclusion is not supported by other kinds of solvents studied. Moreover, the Apelblat equation, λh equation, Wilson model, and nonrandom two-liquid model were used to correlate the experimental values. The calculated values of four models all provided good fitting results with the experimental data, and the values of root-mean-square deviation and relative average deviation (RAD) were no more than 6.84 × 10 −4 and 6.84 × 10 −3 , respectively. Furthermore, the thermodynamic properties of the mixing process for IPN in selected solvents were calculated, that is, mixing Gibbs energy (Δ mix G), molar enthalpy (Δ mix H), and molar entropy (Δ mix S). The results indicated that the mixing process of IPN was a spontaneous and entropy-driven process. The solid−liquid equilibrium data and solution thermodynamics would be helpful for the synthesis and purification of IPN in the industry.

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Solubility modelling and solvent effect for domperidone in twelve green solvents

Cited by 41 publications

References 28 publications

Domperidone Solubility in Aqueous Cosolvent Mixtures of N,N-Dimethylformamide, Isopropanol, Dimethyl Sulfoxide, and Ethanol: Thermodynamic Modeling and Preferential Solvation Analysis

Domperidone Solubility in Aqueous Cosolvent Mixtures of N,N-Dimethylformamide, Isopropanol, Dimethyl Sulfoxide, and Ethanol: Thermodynamic Modeling and Preferential Solvation Analysis

Green Approaches for Sustainable Development of Liquid Separation Membrane

Solid–Liquid Phase Equilibrium of Isophthalonitrile in 16 Solvents from T = 273.15 to 324.75 K and Mixing Properties of Solutions

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