Article
Biochemistry & Molecular Biology
Nazrul Haq, Adel F. Alghaith, Sultan Alshehri, Faiyaz Shakeel
Summary: This study examines the solubility and thermodynamics of febuxostat in various mono solvents, finding that PEG-400 is the optimal co-solvent for febuxostat solubility.
Article
Chemistry, Physical
Seon-Kwang Lee, Eun-Sol Ha, Ji-Su Jeong, Sebin Kim, Heejun Park, Jeong-Soo Kim, Jin-Wook Yoo, Hyung Ryong Moon, Yunjin Jung, Min-Soo Kim
Summary: In this study, the solubility data of efinaconazole in various solvents and binary mixtures was measured, and factors influencing its solubility were analyzed. The experimental solubility data and correlated models could be useful for crystallization, purification, and liquid dosage form development during drug development.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Jinyan Zhang, Zhihan Liang, Shaochang Ji, Xiaofang Wang, Ping Lan
Summary: The solubility of pyrazinamide in twelve pure solvents was measured from 288.15k to 328.15k, and the experimental data were correlated by various models. The modified Apelblat model showed the best fitting results, providing a basis for the optimization of its crystallization and the preparation of its cocrystals.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biochemistry & Molecular Biology
Mohammed Ghazwani, Prawez Alam, Mohammed H. Alqarni, Hasan S. Yusufoglu, Faiyaz Shakeel
Summary: This research focused on the solubility, dissolution properties, and computational modeling of trans-resveratrol in various solvents and mixtures. Results showed propylene glycol as the best solvent for solubilization based on solubility data and observations.
Article
Chemistry, Physical
Abolghasem Jouyban, Elaheh Rahimpour, Zahra Karimzadeh, Hongkun Zhao
Summary: The published solubility data of dapsone from literature were used to develop mathematical models for calculating solubility values in mono- and mixed-solvents at different temperatures. The Hansen and Abraham solvation parameters were combined with the model to create a predictive model. The accuracy of the models was compared with similar models using mean percentage deviation between calculated and experimental data.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Multidisciplinary Sciences
M. A. Moradkhani, S. H. Hosseini, K. Ranjbar, M. Moradi
Summary: This study aims to investigate the solubility of hydrogen sulfide (H2S) in different solvents using intelligent approaches such as Multilayer Perceptron (MLP), Gaussian Process Regression (GPR), and Radial Basis Function (RBF). The proposed models, based on a large database of measured samples, provide reliable estimations of solubility using just three simple input variables. The GPR-based model showed the most accurate estimations with excellent AARE, R-2, and RRMSE values for the tested data. It also proved applicable for different types of single and multicomponent H2S absorbers.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Physical
Esmaeil Mohammadian, Alireza Foroumadi, Zaman Hasanvand, Elaheh Rahimpour, Hongkun Zhao, Abolghasem Jouyban
Summary: The present study aims to develop general models using Abraham solvation parameters and Hansen solubility parameters to predict mesalazine solubility in cosolvency systems at different temperatures. The applicability of the models was evaluated by calculating overall mean relative deviations (MRDs %) of solubility data for mesalazine in 11 cosolvency systems. The trained models demonstrated good estimation of the solubility behavior of mesalazine in various cosolvency systems.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Thermodynamics
Yaqing Zhou, Jinhao Li, Qinglin Wang, Tian Tian, Xingchu Gong
Summary: The solubilities of cholesterol in different solvents and mixed solvents were investigated in this study. It was found that the solubilities of cholesterol generally increased with temperature. In the binary mixed solvent, the cholesterol solubility first increased and then decreased with increasing mass fraction of ethanol. The modified UNIQUAC model provided the best fitting results.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2023)
Article
Chemistry, Physical
Yuwei Hua, Genlei Wei, Shishuai Shi, Chunmei Cao, Xuening Zhang, Li Xu, Hongping Li
Summary: This study investigated the solubility of musk ketone in four binary solvents and found that temperature and the mole fraction of ethyl acetate influence its solubility. Various mathematical models were used to fit the experimental data, and the thermodynamic properties of the dissolution process were discussed, revealing an entropy-driven and endothermic process.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Thermodynamics
Abdul Ahad, Faiyaz Shakeel, Mohammad Raish, Ajaz Ahmad, Yousef A. Bin Jardan, Fahad Al-Jenoobi, Abdullah M. Al-Mohizea
Summary: This study investigated the solubility and dissolution thermodynamic parameters of vinpocetine in different solvents, finding lower solubility in water and better solubility in non-polar solvents. The Van't Hoff equation was more precise in correlating the solubilities of vinpocetine in the investigated solvents. Enormous support was provided for vinpocetine solubilization, pre-formulation, and dosage form development in pharmaceuticals.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2022)
Editorial Material
Chemistry, Physical
Ali Shayanfar
Summary: The study by Jia et al. discusses the solubility measurement and correlation of 2,4,6,8,10,12-Hexanitrohexaazai sowurtzitane.2,4,6-trinitrotoluene (HNIW.TNT) co-crystal in nine pure solvents, focusing on co-crystal thermodynamic solubility, solid transformations, and solution stability.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Energy & Fuels
Daniel Corzo, Diego Rosas-Villalva, C. Amruth, Guillermo Tostado-Blazquez, Emily Bezerra Alexandre, Luis Huerta Hernandez, Jianhua Han, Han Xu, Maxime Babics, Stefaan De Wolf, Derya Baran
Summary: Accelerating the shift towards renewable materials and sustainable processes is crucial for a green circular economy. Terpene solvents obtained from renewable feedstocks can replace environmentally hazardous solvents in the production of efficient organic electronic devices. Using a solubility ink formulation framework, we identified various terpene solvent systems and investigated film formation and drying mechanisms for optimal charge transport. This approach is universal for state-of-the-art materials in organic electronic devices.
Article
Chemistry, Physical
Lei Yuan, Zidan Cao, Renren Sun, Haixia He, Yiming Ren, Huimin Niu, Tao Li, Baozeng Ren
Summary: A novel antiepileptic drug, topiramate (TPM), has greatly improved human health in combating epilepsy. This study measured the solubility of TPM in various solvents, analyzed the factors influencing solubility, and studied the thermodynamic properties and dissolution process of TPM. The research provides fundamental data for the production of TPM in the pharmaceutical industry.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Abolghasem Jouyban, William E. Acree Jr
Summary: The experimental solubility data of glimepiride in different solvents and solvent mixtures were re-evaluated to meet the practical needs of the pharmaceutical industry. Trained models were used to predict the solubility data based on a minimum number of known data points. The accuracy of the prediction tools was satisfactory.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Wen-Dong Liu, Yong-Xiang Li, Duan-Lin Cao, Heng-Jie Guo, Zi-Yang Li
Summary: The solubility of 3-nitropyrazole in four binary solvents was investigated over a range of temperatures, showing a positive correlation with temperature and a negative correlation with water mass fraction. Experimental data correlated well with thermodynamic models, with the modified Apelblat equation providing the most satisfactory results. The dissolution processes were found to be endothermic and entropy-driven, with positive enthalpy being the main contributor to the Gibbs free energy change. The solubility data in mixed solvents will be essential for further research on the crystallization and spheroidization of 3-nitropyrazole.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
