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FLUID PHASE EQUILIBRIA · 2013 · IF 2.379

Measurement and correlation solubility and mixing properties of l-malic acid in pure and mixed organic solvents

Yumei Kai,Yonghong Hu,Zheng Cao,Xiang Liu,Yan Liu,Wenge Yang

The solubilities of l -malic acid in pure and mixture organic solvents were measured from 278.15 to 323.15   K using the laser monitoring observation system. The modified Apelblat equation, the semi-empirical Buchowski–Ksiazczak λh equation and the Combined Nearly Ideal Binary Solvent/Redlich (CNIBS/R-K) equation were proposed to correlate the experimental data. In pure and mixed solvents, the 100RD (relative deviation) <3.61 and 7.58, respectively, the 10 4 RMSD (root-mean-square deviations) <3.07 and 2.28, respectively, so the equations selected in this work fit the data very well. Van’t Hoff equation was used to predict the dissolution enthalpy and entropy of l -malic acid in the corresponding solvents.

研究领域: 药物化学 · 物理化学 · 溶液热力学 · 药物结晶 · 分子药剂学
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2018 · IF 3.141

Template-Free Synthesis of Macroporous SiO2 Catalyst Supports for Diesel Soot Combustion

Hui Wang,Zewen Chen,Xingyu Deng,Shengji Wu,Qinqin Yu,Wei Yang,Jie Zhou

Catalytic combustion is considered as one of the most efficient methods for soot removal. However, the limited contact area between soot and active site is a key restrictive factor for the present reaction, as soot particles (particle size > 25 nm) are usually difficult to enter the inner pores of general catalysts. In this work, we report a simple and economic strategy to synthesize macroporous SiO2 as the support for combustion catalysts so as to facilitate the mass transfer in the inner surface of the catalysts. The macroporous SiO2 could be synthesized rationally through controlling and adjusting the Si–OH dehydration condensation and neck growth during the sol–gel preparation process. The porosity of SiO2 influences catalytic activity greatly in the reaction of soot catalytic combustion. Furthermore, macroporous SiO2 supported Ag and K catalysts exhibit superior soot oxidation activity, showing important potentiality for future applications.

CAS / MDL: 13517-24-3
研究领域: 材料科学 · 环境催化
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ENVIRONMENTAL TOXICOLOGY · 2013 ·Vol. 29 ·期 12 ·1460-1470 · IF 2.708

Biochemical biomarkers in liver and gill tissues of freshwater fish Carassius auratus following in vivo exposure to hexabromobenzene

Mingbao Feng,Ruijuan Qu,Ying Li,Zhongbo Wei,Zunyao Wang

Hexabromobenzene (HBB) is a novel brominated flame retardant (BFR) with ample evidence of its ubiquitous existence in the aquatic ecosystems. However, to date, the toxicological effects of this BFR on fish have been inadequately researched. The present study was conducted, based on an in vivo model, to investigate HBB-induced biochemical changes in liver and gill tissues of Carassius auratus after medium-term exposure to different concentrations (10, 150, and 300 mg/kg) for 7, 14, and 25 days. Oxidative stress was evoked evidently for the prolonged exposure, demonstrated by significant inhibition in antioxidant enzymes activities including superoxide dismutase, catalase, glutathione reductase, glutathione peroxidase, and glutathione S-transferase, and a decrease in reduced glutathione level, as well as simultaneous elevation in malondialdehyde content. Moreover, Na + , K + -ATPase activity, and protein level were remarkably reduced in fish tissues. Based on the integrated biomarker response, the toxic potency in each treatment was distinguished, and the more severe stress was mainly noted with the increasing concentrations and the extending durations. It was also observed that liver exhibited more pronounced alterations in biochemical parameters than gill, probably indicating the vulnerability of liver to HBB-triggered oxidative stress. Taken together, the results of this study clearly showed that HBB was capable of inducing oxidative stress and inhibiting Na + , K + -ATPase activity in different tissues of C. auratus after medium-term exposure. © 2013 Wiley Periodicals, Inc. Environ Toxicol 29: 1460–1470, 2014.

CAS / MDL: 87-82-1
研究领域: 环境毒理学 · 水生生态学 · 生物化学
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CATALYSIS COMMUNICATIONS · 2017 · IF 3.33

Coupling reaction in catalytic decomposition of cyclohexyl hydroperoxide

Xi Zheng,Jiping Ma,Min Wang,Song Shi,Zhiqiang Sun,Jie Xu

Coupling reaction of cyclohexyl hydroperoxide (CHHP) decomposition and cyclohexane oxidation in the process of catalytic decomposition of CHHP was identified via cyclopentane instead of cyclohexane used as solvent. A method was established to evaluate this coupling reaction. Based on this method, it can be accurately distinguished the product of cyclohexanol and cyclohexanone (K/A oil) derived from whether decomposition of CHHP or oxidation of cyclohexane. The established method is of great significance to the further study of the coupling reaction.

CAS / MDL: 4316-42-1 287-92-3
研究领域: 化学工程 · 催化化学
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BIOPHARMACEUTICS & DRUG DISPOSITION · 2017 ·Vol. 38 ·期 9 ·526-534 · IF 2.091

Multiple organic cation transporters contribute to the renal transport of sulpiride

Liping Li,Yayun Weng,Wei Wang,Mengru Bai,Hongmei Lei,Hui Zhou,Huidi Jiang

Sulpiride, a selective dopamine D2 receptor blocker, is used widely for the treatment of schizophrenia, depression and gastric/duodenal ulcers. Because the great majority of sulpiride is positively charged at physiological pH 7.4, and ~70% of the dose recovered in urine is in the unchanged form after human intravenous administration of sulpiride, it is believed that transporters play an important role in the renal excretion of sulpiride. The aim of the present study was to explore which transporters contribute to the renal disposition of sulpiride. The results demonstrated that sulpiride was a substrate of human carnitine/organic cation transporter 1 (hOCTN1) and 2 (hOCTN2), human organic cation transporter 2 (hOCT2), human multidrug and toxin efflux extrusion protein 1 (hMATE1) and 2-K (hMATE2-K). Sulpiride accumulation from the basolateral (BL) to the apical (AP) side in MDCK-hOCT2/pcDNA3.1 cell monolayers was much greater than that in MDCK-hOCT2/hMATE1 cells, and cimetidine dramatically reduced the intracellular accumulation of sulpiride from BL to AP. In addition, the accumulation of sulpiride in mouse primary renal tubular cells ( m PRTCs) was markedly reduced by inhibitors of Oct2 and Octns. The results implied that OCTN1, OCTN2, OCT2, MATE1 and MATE2-K probably contributed to the renal transfer of sulpiride, in which OCT2 mediated the uptake of sulpiride from the bloodstream to the proximal tubular cells, while MATEs contributed to the sulpiride efflux from the proximal tubular cells to the renal lumen, and OCTNs participated in both renal secretion and reabsorption.

CAS / MDL: 541-15-1 483-14-7
研究领域: 药理学 · 肾病学 · 药物代谢
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Journal of Environmental Chemical Engineering · 2024 · IF 7.4

Phase behavior and intermolecular interaction analysis of the ternary system of water + 2-methylpyridine + octanols from 303.2 K to 323.2 K

Erkang Li,Jingwei Cao,Yujie Zhen,Jiajun Wei,Yingmin Yu

Wastewater from coking and pharmaceutical processes often contain a significant amount of 2-methylpyridine, which forms an azeotropic mixture with water. Effectively and cleanly separating 2-methylpyridine from wastewater while conserving energy and obtaining high purity products is an urgent challenge. In this study, ternary liquid-liquid equilibrium (LLE) data for the extraction of 2-methylpyridine from wastewater were measured using three distinct solvents at temperatures of 303.2 K, 313.2 K, and 323.2 K. The obtained ternary data were subsequently correlated with thermodynamic models (NRTL and UNIQUAC) to get relevant binary interaction parameters, bridging a gap in Aspen Plus simulations of 2-methylpyridine separation by octanol solvents. Furthermore, the GUI tool was used to validate these parameters and the results confirmed the reliability of the obtained parameters. It was observed that as the temperature increased, the extraction performance of all systems decreased, indicating that elevated temperature are not conducive to the extraction process. Among the various components, iso-octanol showed the highest separation factor indicating better extraction efficiency of 2-methylpyridine. Additionally, this study integrated quantum chemical calculations to reveal the interaction mechanisms between different solvents, 2-methylpyridine, and water at the microscopic level. The computational results indicated that iso-octanol exhibited the most robust binding affinity with 2-methylpyridine, suggesting that iso-octanol has more excellent extraction properties.

研究领域: 化学工程 · 环境科学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2018 · IF 2.196

Isothermal Vapor–Liquid Equilibria of the Absorption Working Pairs (R1234yf + NMP, R1234yf + DMETrEG) at Temperatures from 293.15 K to 353.15 K

Yibo Fang,Wenjie Guan,Kangli Bao,Yanzhi Wang,Xiaohong Han,Guangming Chen

The vapor–liquid equilibria (VLE) data of R1234yf + NMP and R1234yf + DMETrEG were measured at the temperature range of 293.15–353.15 K in a dual cycle experimental apparatus. The thermodynamic consistency of the VLE data was checked with an area test. The VLE data were correlated by the nonrandom two-liquid model, and the results showed that they had a good agreement. The average relative deviation of pressure for R1234yf + DMETrEG was within 1.37% and its maximum was 3.51%; the average relative deviation of pressure for R1234yf + NMP was within 1.43% and its maximum was 3.65%. The results still showed that there was a large positive deviation between the binary system R1234yf + NMP and Raoul’s law, and the system R1234yf + DMETrEG exhibited a slight positive deviation to the ideal solution.

CAS / MDL: 872-50-4
研究领域: 化学工程 · 热力学
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JOURNAL OF MOLECULAR LIQUIDS · 2021 · IF 6.165

Densities, viscosities and excess properties for n-nonane with alcohols (C3-C6) from 303.15 K to 333.15 K at atmospheric pressure

Hao Wang,Nianzu Zhang,Xiaopo Wang

The volumetric and viscometric properties of the liquid mixtures are of importance for industrial application and theoretical calculation. This work reports the density and viscosity of the binary mixtures of n -nonane with 1-propanol, 1-butanol, 1-pentanol, and 1-hexanol from 303.15 K to 333.15 K at atmospheric pressure in the whole composition ranges. Excess properties such as excess molar volumes and viscosity deviations were calculated and correlated as the type of Redlich-Kister equation. In addition, the densities and viscosities for the studied mixtures were correlated using PC-SAFT equation and McAllister four-body viscosity model. For n -nonane with 1-propanol, 1-butanol, 1-pentanol, and 1-hexanol mixtures, the average absolute relative deviations between the experimental density data and calculate values from PC-SAFT equation are 0.39%, 0.46%, 0.31%, and 0.38%, respectively. And the average absolute relative deviations of viscosity from McAllister four-body model are 0.82%, 0.86%, 1.32%, and 1.01%, respectively.

研究领域: 物理化学 · 化工热力学
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International Journal of Refrigeration · 2019 · IF 3.177

Solubilities of difluoromethane (R32) in polyol ester, polyvinylether, and polyalkylene glycol base oils at temperatures from 273 K to 351 K

Tao Jia,Shengshan Bi,Jiangtao Wu,Panyuan Li

Experimental solubilities of difluoromethane (R32) in polyol ester (POE), polyvinylether (PVE), and polyalkylene glycol (PAG) base oils were measured in the temperatures range from 273 K to 351 K based on the isochoric method. The experimental setup was checked by measuring the solubility of carbon dioxide in n -decane at pressures from 0.1 to 4.6 MPa. The expanded uncertainty ( k  = 2) of the measured solubility data was estimated to be less than 2.8%. The experimental solubility data were correlated using the Peng–Robinson (PR) equation of state (EOS) and Wilson activity coefficient model. The absolute average deviations of the experimental data and calculated values for R32 in POE, PVE, and PAG base oils were 1.74%, 0.73%, and 0.97%, respectively. The solubility of R32 in three base oil were calculated and compared at same temperatures and pressures, and the results showed that the solubility order of R32 in the three base oils was: PAG > PVE > POE.

CAS / MDL: 124-18-5
研究领域: 化学工程 · 制冷技术
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FLUID PHASE EQUILIBRIA · 2020 · IF 2.838

Solubility determination and thermodynamic modeling of solid−liquid equilibria in the LiBO2−Li2B4O7−H2O system at 298.15 K and 323.15 K

Lan Yang,Lele Chen,Tao Zhang,Dan Li,Lingzong Meng,Tianlong Deng,Yafei Guo

The solubilities and the refractive indices in the ternary system LiBO 2 −Li 2 B 4 O 7 −H 2 O at 298.15 K and 323.15 K were determined with the isothermal dissolution method. The phase diagrams and refractive index diagrams were drawn with the experimental values. The phase diagrams at 298.15 K and 323.15 K consist of one invariant point, two univariant curves and two crystallization regions corresponding to Li 2 B 4 O 7 ·3H 2 O, LiBO 2 ·8H 2 O (at 298.15 K) and LiBO 2 ·2H 2 O (at 323.15 K). Based on the Pitzer model, the mixing ion-interaction parameters ( θ B ( O H ) 4 − , B 4 O 5 ( OH ) 4 2 − and Ψ L i + , B ( O H ) 4 − , B 4 O 5 ( O H ) 4 2 − ) at 298.15 K and 323.15 K were fitted with the solubility data. A comparison shows that the calculated solubilities in the ternary system at 298.15 and 323.15 K agree well with the experimental data. The phase diagram and Pitzer model for the ternary system were then used to conduct isothermal evaporation simulation. Different salt will be obtained if the original solution point in different unsaturated regions.

CAS / MDL: 13453-69-5 12007-60-2
研究领域: 化学 · 材料科学 · 物理化学
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ACS Applied Materials & Interfaces · 2017 · IF 7.504

Polymersomes with Rapid K+-Triggered Drug-Release Behaviors

Xiang-Ru You,Xiao-Jie Ju,Fan He,Yuan Wang,Zhuang Liu,Wei Wang,Rui Xie,Liang-Yin Chu

A novel type of smart polymersomes with rapid K+-triggered drug-release properties is developed in this work. Block copolymers with biocompatible poly(ethylene glycol) (PEG) as the hydrophilic block and poly(N-isopropylacrylamide-co-benzo-18-crown-6-acrylamide) (PNB) copolymer as the K+-responsive block are successfully synthesized. Because of the presence of 18-crown-6 units, the PEG-b-PNB block copolymers exhibit excellent K+-dependent phase-transition behaviors, which show a hydrophilic–hydrophobic state in simulated extracellular fluid and present a hydrophilic–hydrophilic state in simulated intracellular fluid. Polymersomes with regular spherical shape and good monodispersity are prepared by the self-assembly of the PEG-b-PNB block copolymers. Both hydrophilic fluorescein isothiocyanate–dextran and hydrophobic doxorubicin are selected as model drugs and are successfully encapsulated into the PEG-b-PNB polymersomes. After being placed in a simulated intracellular fluid with high K+ concentration, the PEG-b-PNB polymersomes immediately disassemble accompanied by the rapid and complete release of drugs. Such K+-responsive polymersomes with the desired drug-release properties provide a novel strategy for advanced intracellular drug delivery and release, which can enhance the safety and efficacy of cancer therapy.

研究领域: 生物材料 · 药物递送 · 高分子化学
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Nature Communications · 2023 ·Vol. 14 ·期 1 ·1-12 · IF 16.6

Metal-coordinated polybenzimidazole membranes with preferential K+ transport

Wu Jine,Liao Chenyi,Li Tianyu,Zhou Jing,Zhang Linjuan,Wang Jian-Qiang,Li Guohui,Li Xianfeng

Membranes with fast and selective ion transport are essential for separations and electrochemical energy conversion and storage devices. Metal-coordinated polymers are promising for fabricating ion-conducting membranes with molecular channels, however, the structures and ion transport channels remain poorly understood. Here, we reported mechanistic insights into the structures of metal-ion coordinated polybenzimidazole membranes and the preferential K + transport. Molecular dynamics simulations suggested that coordination between metal ions and polybenzimidazole expanded the free volume, forming subnanometre molecular channels. The combined physical confinement in nanosized channels and electrostatic interactions of membranes resulted in a high K + transference number up to 0.9 even in concentrated salt and alkaline solutions. The zinc-coordinated polybenzimidazole membrane enabled fast transport of charge carriers as well as suppressed water migration in an alkaline zinc-iron flow battery, enabling the battery to operate stably for over 340 hours. This study provided an alternative strategy to regulate the ion transport properties of polymer membranes by tuning polymer chain architectures via metal ion coordination.

研究领域: 材料科学 · 电化学 · 能源存储
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