DIAMOND AND RELATED MATERIALS
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2020
·
IF 2.65
Yi Tian,Junpu Wang,Jiawei Zhang,Shixue Guan,Lu Zhang,Binbin Wu,Yuzhu Su,Mengyang Huang,Li Zhou,Duanwei He
The stability and solubility of diamond in cobalt at a pressure of 5 GPa was investigated. At temperatures ranging from 1000 °C and 1350 °C, diamond can be dissolved in cobalt without graphitization . Meanwhile, the solubility of single diamond crystals in cobalt was measured at 5 GPa and temperatures of up to 1300 °C through weight analysis, and it was found to increase with the increase in temperature. The morphological changes of the diamond crystals after high-pressure and high-temperature (HPHT) treatments were observed using a scanning electron microscope . The resulting quantitative data and morphology analysis enabled the construction of a scheme for the morphological evolution of diamond crystals during their dissolution in cobalt at HPHT. The diamond formation process in cobalt solvent is discussed in relation to the dynamic equilibrium.
研究领域:
材料科学
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地质学
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产品关联
DOI
高影响因子
JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY
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2021
·
IF 3.981
Hongji Liu,Hongqing Lin,Zhengzheng Zhou,Liang Li
Bergenin ( BER ) is a bioactive compound used for the treatment of chronic bronchitis in China. However, its low solubility and permeation limits its oral bioavailability. In this study, a new BER : isonicotinamide ( ISN ) cocrystal (1: 1, molar ratio) was reported for the first time. BER-ISN shows better solubility and intrinsic dissolution rates (IDRs) in aqueous medias such as water, buffer solutions with pH = 1.2, 4.5, and 6.8 in comparison to BER monohydrate. For instance, the solubilities of BER-ISN and BER monohydrate in water were 3.72 ± 0.22 and 1.42 ± 0.006 mg/mL, respectively, showing 2.62 times improvement. IDRs of BER-ISN and BER monohydrate were 29.90 ± 0.04 and 18.64 ± 0.27 mg/min/cm 2 , respectively, which was consistent with the solubility results. To explain the solubility behavior, phase solubility diagrams of BER monohydrate, ISN and BER-ISN in three pure organic solvents (ethanol, isopropanol and ethyl acetate) were performed according to the solubility product ( K sp ) and complexes formation ( K 11 ) theory. The predicted solubilities are consistent with experimental solubilities considering complexation effects. The Hildebrand solubility parameter (HSP) calculations support the results. Thus, BER-ISN cocrystal (1: 1) with improved solubility is a good candidate for further formulation development.
研究领域:
药学
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生物化学
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DOI
高影响因子
CRYSTENGCOMM
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2020
·Vol. 23
·期 3
·653-662
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IF 3.117
Jun-Long Jia,Xia-Lin Dai,Hao-Jie Che,Meng-Ting Li,Xiao-Mei Zhuang,Tong-Bu Lu,Jia-Mei Chen
Regorafenib (REG) is an oral multikinase inhibitor used for the treatment of gastrointestinal stromal tumors, metastatic colorectal cancer and advanced hepatocellular carcinoma. REG exists in various crystal forms and its monohydrate form (REG·H2O) is selected as the commercial form. However, the clinical efficacy of REG is severely limited by low oral bioavailability due to its poor aqueous solubility. With the intention to expand the solid forms and to improve the aqueous solubility at the same time, three cocrystals of REG with malonic acid (REG–MA), glutaric acid (REG–GA) and pimelic acid (REG–PA) were successfully synthesized by liquid-assisted grinding and/or the slurry methods. The obtained cocrystals were fully characterized by X-ray diffraction analysis, thermal analysis, and Fourier transform infrared and proton nuclear magnetic resonance spectroscopy, and were then subjected to powder dissolution, dynamic vapor sorption, stability and tabletability investigations. As compared to REG·H2O, REG–MA exhibits comparable dissolution behavior, while REG–GA and REG–PA demonstrate significantly enhanced apparent solubility and dissolution rates without compromising the hygroscopicity and physicochemical stability of the drug. In addition, the formation of the cocrystals also improves the tabletability of the powdered samples. These results suggest that REG–GA and REG–PA have great potential to be developed as new, more efficient formulations of REG.
研究领域:
药学
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材料科学
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产品关联
DOI
高影响因子
CHINESE JOURNAL OF CHEMICAL ENGINEERING
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2020
·
IF 2.627
Ruizhi Cui
Using isothermal dissolution method, the phase equilibrium relationship in quaternary system LiCl + NaCl + KCl + H 2 O and the ternary subsystem LiCl + NaCl + H 2 O at 288.15 K were investigated. Each phase diagram of two systems was drawn. The phase diagram of LiCl + NaCl + H 2 O system contains two solid phase regions of crystallization LiCl·2H 2 O and NaCl. In the phase diagram of LiCl + NaCl + KCl + H 2 O system, there are three crystallization regions: LiCl·2H 2 O, NaCl and KCl respectively. In this paper, the solubilities of phase equilibria in two systems were calculated by Pitzer's model at 288.15 K. The predicted phase diagrams generally agree with the experimental phase diagrams.
研究领域:
化学
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物理化学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2018
·
IF 2.631
Suping Ding,Qiuxiang Yin,Wei Du,Xiaowei Sun,Guiping Li,Yafei Mao,Hongxun Hao
The separation of phenanthrene (PHE) and carbazole (CAR) has been a tough job since the formation of solid solutions. Development of new separation strategy for PHE-CAR mixture highly depends on their phase equilibrium behaviour. In this work, ternary phase diagrams of phenanthrene (PHE) and carbazole (CAR) in dimethylformamide (DMF), acetone, acetonitrile (MeCN) and toluene at T = 308.15 K under normal atmosphere were determined through wet residue method. It was found that PHE-rich solid solution α was formed in the particular composition range of PHE-end. On the contrary, no CAR-rich solid solution was formed in CAR-end. These results were further verified through powder X-ray diffraction (PXRD) and differential scanning calorimetry (DSC). Based on the ternary phase diagrams, a difference coefficient of solubility ( Ds ) was put forward to assist screening and evaluation of solvents for solution crystallization. Among the four tested solvents, toluene is the most suitable one for separating PHE-CAR mixture.
研究领域:
化学工程
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2016
·
IF 2.196
Dandan Han,Yumin Liu,Xiaona Li,Teng Zhang,Zhenfang Li,Shichao Du,Mingxia Guo,Shijie Xu,Bo Yu,Baohong Hou,Junbo Gong
The solubility of calcium d -pantothenate in (water + methanol) mixtures and the effect of β -alanine on the solubility of calcium d -pantothenate in a constant mole ratio of methanol and water was measured from 263.15 K to 303.15 K by the HPLC analysis method ( P = 0.1 MPa). The solubility of calcium d -pantothenate increased with increasing temperature in all the mixtures at constant composition. Besides, it also increased with mole fraction of water in (water + methanol) mixtures at a constant temperature. Additionally, the solubility of calcium d -pantothenate was enhanced by β -alanine at a given temperature. The experimental solubility in (water + methanol) mixtures was correlated by the modified Apelblat equation, the ternary NRTL equation and Solubility-Polarity Model. The Apelblat equation, the quaternary NRTL equation and the Cohn equation were adopted to correlate the experimental solubility in the (water + methanol + β -alanine) mixtures. Worthwhile, the quaternary NRTL equation was first applied to correlating the quaternary solid-liquid equilibrium. It turned out that all the selected models give good performance on solubility prediction.
研究领域:
药物化学
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物理化学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2019
·
IF 2.298
Jingjing Chen,Jingjing He,Ningxin Li,Huidong Zheng,Suying Zhao
The solubility of borneol, camphor, and isoborneol in four solvents (i.e., acetone, ethanol, p-cymene, and p-xylene) was measured by the static equilibrium method within the temperature range of 296.65–348.85 K under the atmosphere. The fusion points and fusion enthalpies of borneol and isoborneol were determined by differential scanning calorimetry. The Apelblat equation, Wilson model, and NRTL model were employed to correlate the measured solubility data, and the NRTL model fits the measured data better. Mixing properties of each solute–solvent pair are calculated by the NRTL model.
研究领域:
化学工程
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药学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2015
·
IF 2.679
Xiaowei Sun,Qiuxiang Yin,Suping Ding,Zhiming Shen,Ying Bao,Junbo Gong,Baohong Hou,Hongxun Hao,Yongli Wang,Jingkang Wang,Chuang Xie
(Solid + liquid) equilibrium data for indomethacin (IMC) and nicotinamide (NCT) in both methanol (MeOH) and methanol/ethyl acetate (EA) mixture were determined using a static method at T = (298.15 and 313.15) K under atmospheric pressure. The 1:1 (IMC + NCT) co-crystal and IMC·MeOH were found in both systems under conditions investigated. The solubility of the 1:1 (IMC + NCT) co-crystal was correlated using a mathematical model consisting of both solubility product and a complexation process. Solubility of (IMC + NCT) co-crystals as a function of co-former (NCT) concentration was evaluated. It was found that temperature has a significant effect on the formation of methanol solvate in the systems investigated. Solvate formation could be suppressed either by increasing temperature or using solvent mixtures. Additionally, the solvent mixture could level out the solubility differences between IMC and NCT , resulting in larger and more symmetric regions for the (IMC + NCT) co-crystal, which would be helpful to the development of the co-crystallization process for the 1:1 (IMC + NCT) co-crystal.
研究领域:
药学
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物理化学
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DOI
高影响因子
JOURNAL OF SOLUTION CHEMISTRY
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2013
·Vol. 42
·期 8
·1591-1601
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IF 1.128
Yang Wenge,Jiang Xinmin,Hu Yonghong,Shi Ying,Sun Huiling,Li Yonglan
The solubility of fumaric acid in aqueous alcohol solutions was experimentally measured over the temperature range of (278.15–333.15) K by employing an analytical stirred-flask method. The experimental data showed that the solubility of fumaric acid in the binary mixtures increases with increases of both temperature and mass fraction of the organic solvents. The experimental data were well correlated with the modified Apelblat equation and the Buchowski–Ksiazaczak λh equation. In addition, the calculated solubilities showed good agreement with the experimental results. It was found that the modified Apelblat equation gave better correlation results than the Buchowski–Ksiazaczak λh equation. The experimental results should be useful for optimizing the process of purification of fumaric acid in industry.
研究领域:
化学工程
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工业化学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2021
·
IF 2.694
Yangyi Huang,Lin Zhang,Mengqi Yan,Qinan Huang,Yuning Zhang,Yanqun Ren,Weiping Luo
In this research, the solubilities of adipic acid in sec-butyl alcohol (SBA), isobutyl alcohol (IBA), and n-octyl alcohol (NOA); glutaric acid in n-propyl alcohol, isopropyl alcohol, n-butyl alcohol, SBA, IBA, tert-butyl alcohol (TBA), and NOA; and succinic acid in SBA, IBA, TBA, and NOA were determined by the dynamic laser method from 302.65 to 352.95 K at atmospheric pressure (101.3 kPa). Furthermore, the solubilities of three dibasic acids in straight-chain alcohols of different lengths and alcohol isomers were compared. Meanwhile, X-ray diffraction was used to detect the change of the crystal form before and after dissolution. Additionally, the experimental data were correlated by two models (Apelblat model and the modified nonrandom two liquid activity coefficient model), showing that the model matched well with the experimental data. The most accurate model is selected for every system after calculating the Akaike information criterion of each model.
研究领域:
物理化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Liwei Zhuang,Qinqin Hu,Shujing Wang,Ruyi Lin,Dan Li,Yong Ma,Lingzong Meng,Jiaoyu Peng
The solid–liquid phase equilibria of brine systems containing boric acid are the theoretical basis for the development of boric acid from brine resources. The phase equilibria of the systems NaCl–CaCl2–H3BO3–H2O and CaCl2–H3BO3–H2O at 323.15 K were investigated by the isothermal solution method. The phase diagram for the ternary system is composed of one co-saturation point, two univariant solubility curves, and two singe-salt crystallization fields of CaCl2·2H2O and H3BO3. The dry-salt phase diagram for the quaternary system consists of one invariant point, three univariant solubility curves, and three single-salt crystallization fields for NaCl, CaCl2·2H2O, and H3BO3. In the phase diagrams of the quaternary system at 298.15 and 323.15 K, the areas of sodium chloride and calcium chloride salt regions are enlarged, whereas the area of the H3BO3 region is diminished significantly with the increase of temperature. Using the Pitzer model, the lacking Pitzer parameters for H3BO3 were obtained by fitting the solubilities in the CaCl2–H3BO3–H2O system. The calculated solubilities with the Pitzer model were in accord with the experimental data.
研究领域:
化学热力学
·
无机化学
✓ 已验证
产品关联
DOI
高影响因子
CRYSTENGCOMM
·
2023
·Vol. 25
·期 40
·5682-5696
·
IF 3.1
Xin-Yue Yuan,Yan Cheng,Jun Liu,Qi-Lei Sun,Fu-Min Xue
A cocrystal screening of a series of theobromine (TBR) with five organic carboxylic acids (p-coumaric acid (p-COA), 2,4,6-trihydroxybenzoic acid monohydrate (2,4,6-TRM), gallic acid monohydrate (GAL), 1-hydroxy-2-naphthoic acid (1-H-2-NA) and citric acid monohydrate (CAM)) with 1 : 1 or 1 : 2 stoichiometry was performed in order to broaden its application in the food and pharmaceutical areas. Six novel multicomponent systems were identified, out of which two nonsolvated single crystals (TBR-2,4,6-TRM, TBR-p-COA) and two hydrated single crystals (TBR-GAL·2H2O, TBR-GAL·4H2O) except for TBR-GAL·2H2O were first reported and the structures of four cocrystal or cocrystal hydrates were determined by SCXRD. The cocrystals of TBR were obtained by the solid-state mechanochemical grinding method and solution-state crystallization. The cocrystal structures were preliminarily determined directly from powder X-ray diffraction (PXRD) data, augmented by information from simultaneous thermal analysis (STA) and Fourier transform infrared spectroscopy (IR). Specifically, the four single crystals were successfully cultured in solution, the structures of which were characterized using the Shelxl method for structure refinement and meticulously searched in the Cambridge Structural Database (CSD). Moreover, the structure determination of the four single crystals was further confirmed by STA and IR assisted by Gaussian calculations. The results led us to the conclusion that TBR and four cocrystal formers (CCF) form a supramolecular system with lower energy. The hydrogen bonding network between TBR and CCF is mainly responsible for cocrystal formation, while TBR-GAL·2H2O and TBR-GAL·4H2O are mainly stabilized by water molecules. The solubilities of TBR, as well as that of cocrystals, were evaluated in two media: pure water and phosphate buffer solution (PBS) (pH 7.2–7.4). Solubilities in water and PBS of cocrystals of TBR-GAL·2H2O and TBR-p-COA were improved by 1.59-fold and 2.98-fold, respectively. Thus, cocrystals significantly influence the solubility of TBR, which could be taken into account in enhancing solubility formulations.
研究领域:
药物化学
·
晶体学
✓ 已验证
DOI
高影响因子
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