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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2014 · IF 2.045

Solid–Liquid Phase Equilibria of Ternary Mixtures Containing 1,2-Dihydroacenaphthylene and Dibenzofuran

Wenjie Cong,Qiuxiang Yin,Junbo Gong,Ying Bao,Meijing Zhang,Hongxun Hao,Baohong Hou,Yuhong Guo,Chuang Xie

Ternary phase diagram data of 1,2-dihydroacenaphthylene-dibenzofuran mixtures in a series of alcohols, including methanol, ethanol, propan-2-ol, propan-1-ol, butan-1-ol, and pentan-1-ol were measured using a dynamic method at 308.15 and 313.15 K. The experimental data were correlated with the Wilson model (including pseudobinary systems), UNIQUAC model, and NRTL model. The results indicate that pseudobinary systems with the Wilson equation give a better description of the solubility of the ternary system. The eutectic point shifts toward dibenzofuran when the more polar methanol and ethanol are used. This shift may help achieve a more efficient separation of 1,2-dihydroacenaphthylene and dibenzofuran.

CAS / MDL: 132-64-9
研究领域: 化学工程 · 物理化学
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JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY · 2019 ·Vol. 24 ·期 3 ·331-341 · IF 3.632

Effective inhibition of copper-catalyzed production of hydroxyl radicals by deferiprone

Timoshnikov V. A.,Kobzeva T.,Selyutina O. Y.,Polyakov N. E.,Kontoghiorghes G. J.

Copper ions can catalyze the production of free oxygen radicals (•OH and •OOH) similar to iron ions. The capacity to initiate oxidative damage is most commonly attributed to Cu-induced toxicity in copper-related diseases where there is an increase in copper levels and also when Cu homeostasis and regulation are disrupted. An antioxidant/chelator inhibiting Cu-induced oxidative damage could play a significant role in the treatment of such Cu-related diseases. Deferiprone has high affinity for copper binding and can be considered for the potential treatment of copper toxicity and overloading conditions, such as Wilson’s disease. In the present study, the ability of deferiprone to inhibit the production of hydroxyl radicals catalyzed by copper ions was elucidated using an Electron Paramagnetic Resonance (EPR) spin trapping technique. The values of g-factors and hyperfine splitting constants were calculated for Cu(II)-deferiprone 1:1 complex: ( a  = 58.5 G, g  = 2.1667) and 1:2 complex: ( a  = 73.0 G, g  = 2.1378). The TMIO spin trap (2,2,4-trimethyl-2 H -imidazole-1-oxide) was used for the detection of free radicals formed in Fenton-like copper-catalyzed reactions. It was demonstrated that the interaction of deferiprone with Cu 2+ ions completely inhibited hydroxyl radical (•OH) production in the presence of hydrogen peroxide. It was found also that deferiprone inhibits Cu-induced oxidation of linoleic acid in micellar solution. In addition to existing data for water solutions, the affinity of deferiprone for copper binding in non-aqueous environment has been elucidated.

CAS / MDL: 60-33-3
研究领域: 生物化学 · 医学
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SENSORS AND ACTUATORS B-CHEMICAL · 2023 · IF 8.4

Editable Au NCs@ZIF-8 nanomaterial-modified paper in situ as well as portable smartphone-assisted sensing assay for the highly sensitive Cu (II) detection in Wilson’s disease

Wenhai Wang,Jiaxuan Li,Bin Hong,Yi Ma,Fei Chen,Keren Kang,Jufang Wang

High levels of Cu (II) in the human body can cause kidney dysfunction, liver cirrhosis, and many neurological diseases, such as Wilson’s disease (WD). Therefore, rapid and efficient detection of Cu (II) in urine is highly essential. First, by a simple multiple seeded growth method, the gold nanoclusters (Au NCs) embedded metal-organic framework (ZIF-8) is decorated on cellulose paper to generate a fluorescent Au NCs@ZIF-8 paper. Then the Au NCs@ZIF-8 paper is loaded on the fluidic cartridge integrated with the syringe for ultra-sensitive urine copper detection. The fluorescence paper is intercalated in a reusable fluidic cartridge and attached to a syringe, allowing the fluidic cartridge to flow a amount of samples through the paper. The interaction of Cu (II) with in situ growth of Au NCs@ZIF-8 on the paper induced fluorescence quenching , which fluorescence images can be recorded and analyzed by the portable smartphone-assisted device. Furthermore, a large amount of sample solution was flowed through the Au NCs@ZIF-8 paper, enabling more Cu (II) to react with the Au NCs@ZIF-8 paper on the novel paper-based analytical device (nPAD). Cu (II) detection can be completed by nPAD in 20 mins, and the limit of detection was as low as 9.2 nM. We show the value of the paper device for on-site detection of copper (II) and indicate that it has excellent potential for clinical applications and environmental monitoring.

研究领域: 生物医学工程 · 分析化学 · 环境科学
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BIOCHEMICAL PHARMACOLOGY · 2024 · IF 5.3

Melatonin alleviates brain injury in copper-laden rats: Underlying benefits for Wilson’s disease

Xiaodan Zhang,Lihong Zhou,Yulong Peng,Shiyu He,Zhen Mao,Jin Cai,Aobo Geng,Hong Yang,Peili Huang

Copper serves as an indispensable cofactor for all living organisms, and its excessive accumulation has been associated with a variety of diseases. Wilson’s disease (WD) serves as an illustrative example of copper toxicity in humans, frequently presenting with liver and/or neuropsychiatric symptoms. The current therapeutic drugs, penicillamine (PA) and zinc gluconate (ZnG), have constraints, and research on their combination efficacy remains insufficient. It has been reported that melatonin (MLT) plays a vital role in binding to transition metals and exhibits strong antioxidant capacity. To investigate the therapeutic efficacy of MLT and combined treatment, rats were randomly divided into the following seven groups: the control (Con) group, copper-laden model rat (Mod) group, PA-treated group, ZnG-treated group, MLT- treated group, PA-ZnG-treated group, and PA-MLT-treated group. Then potential mechanisms and targets were investigated using a combination of metabolomics and network pharmacology and verified by molecular docking and qPCR. The findings revealed that MLT and the combination significantly improved behavior, pathology and copper levels in copper-laden rats. The results of the metabolomics study showed that profoundly altered metabolites were identified, and alanine, aspartate and glutamate metabolism, pyruvate metabolism, citrate cycle (TCA cycle), and glycolysis/gluconeogenesis were explored. In addition, molecular docking showed that MLT had high binding affinity with key targets, and qPCR results revealed that MLT could reverse the mRNA expression of targets GOT2 and PKM2. It was concluded that MLT effectively improves brain injury in copper-laden rats, and this effect was linked with the altered features of the metabolite profiles.

研究领域: 神经科学 · 药理学 · 代谢组学 · 分子生物学
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Russian Journal of Physical Chemistry A · 2018 ·Vol. 92 ·期 11 ·2118-2123 · IF 0.549

Isobaric Vapor-Liquid Equilibria in 2-Methylthiophene–Cycloalkane Mixtures at 90.00 kPa

Xu Zhigang,Junqiang Wang,Wei Zhao,Xiaoliang Li

Abstract New isobaric vapor-liquid equilibrium data for the binary mixtures of methylcyclopentane + 2‑methylthiophene, cyclohexane + 2-methylthiophene, methylcyclohexane + 2-methylthiophene and ethylcyclohexane + 2-methylthiophene systems were determined by a modified Rose-Williams equilibrium still under the pressure of 90.00 kPa. All the vapor-liquid equilibrium data measurements passed the thermodynamic consistent test by using the Herington method and the Van Ness test, respectively. No azeotropic behavior was observed in the tested four binary systems. Meanwhile, the experimental data were correlated by the Wilson activity coefficient model and also compared with the original UNIFAC and UNIFAC Dortmund predictive models. All results demonstrated that the original UNIFAC model gave better predictions than the UNIFAC Dortmund model.

研究领域: 化学工程 · 热力学
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iScience · 2025 · IF 4.1

A Single-Cell Transcriptomic Atlas of Immune Cells in Wilson disease Identifies Copper-specific Immune Regulation

Shuya Wang,Xianlei Sun,Qingxuan Xin,Jianxiang Shi,Jin Li,Huilin Zhang,Mengjiao Xue,Fanxiang Yin,Zan Qiu,Xiaoqian Wang,Nannan Sun,Yingmei Li,Yaoyao Chen,Liyan Fu,Chaoqi Li,Shaohua Yan,Xian Zhao,Bolin Jue,Yanxia Gao,Baohong Yue,Bo Qin,Yong Jiang,Rongqun Guo

Wilson disease (WD) is caused by mutations of copper-transporting gene, ATP7B , leading to abnormal copper metabolism. A better characterization of WD is essential in understanding the effects of excess copper and how it disrupts immune regulation and hematopoietic development. Furthermore, exploration of the relationship between copper-mediated proliferation or cuproptosis and immune regulation is critical for developing new immune therapies. Therefore, we performed single-cell RNA sequencing (scRNA-seq) on peripheral blood mononuclear cells (PBMCs) to develop an atlas of immune landscape. Cells were clustered into several immune subsets, and cuproptosis-associated genes were assessed. Differential expression analysis was performed to identify WD-specific signatures by comparing transcriptome profiles of patients with WD with HDs. Excess copper impaired immune homeostasis and hematopoietic development. Then, we developed a map of immune landscape of patients with WD. Excess copper is involved in the metabolic reprogramming of immune cells, such as glycosis in CD14 + monocytes. We found that antigen processing-related pathway dysregulates in immune cells of patients with WD. Our study revealed that abnormal copper concentration influences the expression of HLA-I and HLA-II molecules. It is noteworthy that a high concentration of intracellular copper differs significantly from high concentration of extracellular copper. We have also identified a gene set of neurologic abnormality, which were dysregulated in PBMCs of patients with WD. We also observed abnormal expression of cuproptosis-associated genes in proliferating or malignant cells, providing new insights into the application of cuproptosis in cancer treatment.

CAS / MDL: 7447-39-4
研究领域: 医学 · 免疫学 · 分子生物学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2017 · IF 2.323

Isobaric Vapor–Liquid Equilibrium for Three Binary Systems of Acetaldehyde + Ethanol, Ethyl Acetate, 1-Butanol at 101.3 kPa

Huanhuan Sun,Cheng Liu,Zhongfeng Geng,Yang Lu,Yixuan Chen

In this article, isobaric vapor–liquid equilibrium (VLE) data for three binary systems of acetaldehyde + ethanol, acetaldehyde + ethyl acetate, and acetaldehyde +1-butanol were determined using a modified Rose–Williams equilibrium still at 101.3 kPa. The experimental data were confirmed by the area method of Herington and point-to-point method of Van Ness. Activity coefficient models, Wilson, NRTL, and UNIQUAC were employed to correlate the experimental VLE values. Both models showed a good agreement and the binary interaction parameters were estimated.

CAS / MDL: 71-36-3
研究领域: 化学工程 · 物理化学
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Foods · 2025 ·Vol. 14 ·期 4 ·679 · IF 5.1

Natural Copper Ion Scavenger: Investigation of the Hepatoprotective Effects of Green Tea Extract in Toxic-Milk Mice with Wilson’s Disease Model

Delai Yang,Shujuan Xuan,Wang Zhang,Huan Wu,Yuge Jiang,An Zhou

Wilson’s disease (WD) is an inherited disorder characterized by abnormal copper metabolism with complex pathological features. Currently, the mechanism of copper overload-induced hepatic injury is unclear. Green tea is a natural chelator, and its main ingredients, green tea polyphenol (GTP) and L-theanine (L-TA) are good at binding to heavy metals like iron and copper. There have been no reports on green tea extracts (GTE) for the treatment of Wilson’s disease. This study investigated the hepatoprotective effect of GTE on WD model mice. Initially, we examined the impact of green tea extract on copper metabolism, excretion, and hepatoprotective effects in WD model toxic milk mice. Then, Ultra performance liquid chromatography (UPLC-DAD) was established to analyze GTP and L-TA in green tea extract. Further screening of eight active components and copper complex active components in green tea extract was carried out by ion analyzer. Finally, we verified the pharmacodynamic effects of these active ingredients at the animal level. The results showed that GTE improves liver function and attenuates liver injury in TX mice by promoting tissue copper excretion and inhibiting oxidative stress, which provides a theoretical basis for green tea’s potential to improve the clinical symptoms of WD.

CAS / MDL: 75-05-8
研究领域: 医学 · 分子生物学 · 药理学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2020 · IF 2.888

Isobaric vapour-liquid equilibrium for binary system of cyclohexanol + cyclohexylbenzene at (5, 10, 15, 20 and 25) kPa

Chunhao Guo,Yang Tang,Jinru Wan,Yue Zuo,Yong Wang,Yichang Wang,Xunqiu Wang

The isobaric vapour–liquid equilibrium (VLE) data for the binary system of cyclohexanol + cyclohexylbenzene were determined at (5, 10, 15, 20 and 25) kPa with a dynamic recirculating apparatus and the temperature ranged from 358.10 K to 456.43 K, and the thermodynamic consistency of the experimental data was checked by the Herington area method and Van Ness method. Afterwards, the experimental data was correlated with NRTL, Wilson and UNIQUAC model, and the corresponding interaction of thermodynamic models of the binary system parameters were obtained through the Aspen software. The results indicated that all three models represent the experimental values quite well, while the NRTL model provided a slightly better result than Wilson model and UNIQUAC model. The maximum root mean square deviation of the temperature and vapour phase mole fraction for the NRTL model was less than 0.4 K and 0.004, respectively.

CAS / MDL: 827-52-1
研究领域: 化学工程 · 热力学
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THERMOCHIMICA ACTA · 2022 · IF 3.378

Experimental determination and thermodynamic modeling of solid-liquid equilibrium of 2,6-dimethylphenol, 3,5-dimethylphenol and 2,5-dimethylphenol binary and ternary systems

Yang Shi,Guangya Yu,Xunqiu Wang

In recent years, dimethylphenol has played an important role in industrial production. The demand and application of dimethylphenol will increase greatly with the continuous advancement of the internationalization process. Solid-liquid equilibrium (SLE) is fundamental for the separation process design, the SLE data of dimethylphenol plays an important role in designing the melting and crystallization separation process. The SLE data of mixtures of 2,6-dimethylphenol (2,6-DMP), 3,5-dimethylphenol (3,5-DMP) and 2,5-dimethylphenol (2,5-DMP) were determined by differential scanning calorimetry (DSC). The crystallographic analysis of eutectic mixtures was analyzed by FTIR. The experimental results show that all the systems studied in this paper exhibit eutectic behavior. SLE data was correlated with Wilson and NRTL models and a satisfactory correlation was obtained. The study provided reliable and accurate data for separating the mixtures of 2,6-dimethylphenol, 3,5-dimethylphenol and 2,5-dimethylphenol. These SLE data are of great significance for the process development and process optimization of dimethylphenol.

研究领域: 化学工程 · 热力学
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JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY · 2019 ·Vol. 138 ·期 2 ·1251-1257 · IF 2.471

Experimental determination and thermodynamic modeling of solid–liquid-phase equilibrium for the 3-nitrotoluene and 4-nitrotoluene binary system

Wang Yanfei,Liu Xiaoyu,Zhao Xiaoyu,Chen Zhao,Yang Libin,Zhu Liang

Solid–liquid-phase equilibrium is an important part of chemical thermodynamics, and its basic theoretical research plays a vital role in the advancement of the chemical industry. Solid–liquid equilibria for binary mixtures of 3-nitrotoluene and 4-nitrotoluene were measured using differential scanning calorimetry under atmospheric pressure (101.3 kPa). The results showed that the phase diagram of the 3-nitrotoluene + 4-nitrotoluene binary system presented a eutectic behavior, and the eutectic point was x 1  = 0.6487, T E  = 272.15 K. Furthermore, the experimental results were correlated with Wilson and nonrandom two-liquid (NRTL) activity coefficient models well. The relative standard deviations were 0.496 and 0.236, respectively, and the absolute mean deviations were 0.005 and 0.001, respectively.

CAS / MDL: 99-99-0 99-08-1
研究领域: 化学热力学 · 化工工程
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2019 · IF 2.298

Solubility Measurement and Phase Equilibrium Modeling of 2-Aminobenzamide in 15 Pure Solvents

Kui Wu,Yajun Li

The solubility of 2-aminobenzamide in 15 pure organic solvents, including methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, n-pentanol, isopentanol, n-hexanol, n-octanol, acetone, ethyl acetate, acetonitrile, tetrahydrofuran, and methyl acetate, was measured using a gravimetric method over the temperature range from 273.15 to 324.15 K under atmosphere pressure. Four thermodynamic models, that is, Apelblat equation, λh equation, nonrandom two-liquid equation, and Wilson equation, were applied to correlate the measured solubility data. The correlation results were evaluated by the relative average deviation. The results indicated that the mole fraction solubility increased with the rising of temperature in all 15 solvents, and the Wilson model gave the best fitting results. The experimental data and correlation models would be useful in the purification and synthesis process of 2-aminobenzamide.

CAS / MDL: 71-36-3 540-37-4
研究领域: 化学工程 · 物理化学
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