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A New Excess Free Energy Mixing Rule for Representing Vapor-Liquid Equilibria of Mixed Refrigerants

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Journal of Thermal Science 2024年第3期33卷 1161-1173页

作者： YE Gongran FANG Yibo YAN Yuhao LIU Ying OUYANG Hongsheng GUO Zhikai HAN Xiaohong key laboratory of Refrigeration and Cryogenic Technology of Zhejiang Province Institute of Refrigeration and CryogenicsZhejiang UniversityHangzhou310027China state key lab for Fluorine Greenhouse Gases Replacement and Control Treatment Zhejiang Research Institute of Chemical IndustryHangzhou310014China Zhejiang key laboratory of Clean Energy and Carbon Neutrality Zhejiang UniversityHangzhou310027China

A suitable mixing rule is important for vapor liquid equilibrium(VLE)investigations for mixed *** this work,a new excess free energy mixing rule(MRv)was proposed at zero pressure based on the linear relationship between dimensionless parameter 1/(u-1)and *** mixing rule was explicit adopted variable liquid molar *** applicable temperature range of MRv could be extended by means of an empirical method to estimate the liquid molar volume for components at high *** mixing rules modified Huron-Vidal mixing rule(MHV1),Wong-Sandler mixing rule(WS),and MRv at two reference pressures were used to compare the VLE data in the calculation of 37 mixed *** demonstrated that MRv had a relatively similar accuracy to MHV1 and WS for component and pressure ***,the average excess Gibbs free energy using the MRv mixing rule for the 37 selected mixed refrigerants(0.0013)was much lower than those using the MHV1(0.0078)and WS(0.0809)mixing rules,which was very valuable for the design and optimization of thermodynamic systems using mixed refrigerants.

关键词： mixed refrigerant vapor liquid equilibrium(VLE) mixing rule reproducibility

Coupling Sb_(2)WO_(6)microflowers and conductive polypyrrole for efficient potassium storage by enhanced conductivity and K^(+) diffusivity

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Journal of Energy Chemistry 2024年第2期89卷 250-258,I0007页

作者： Ruiqi Tian Hehe Zhang Zeyu Yuan Yuehua Man Jianlu Sun Jianchun Bao Ming-Sheng Wang Xiaosi Zhou School of Chemistry and Materials Science Nanjing Normal UniversityNanjing 210023JiangsuChina state key lab of Physical Chemistry of Solid Surfaces College of MaterialsXiamen UniversityXiamen 361005FujianChina

Although metal oxide compounds are considered as desirable anode materials for potassium-ion batteries(PIBs)due to their high theoretical capacity,the large volume variation remains a key issue in realizing metal oxide anodes with long cycle life and excellent rate *** this study,polypyrroleencapsulated Sb_(2)WO_(6)(denoted Sb_(2)WO_(6)@PPy)microflowers are synthesized by a one-step hydrothermal method followed by in-situ polymerization and coating by *** the nanosheet-stacked Sb_(2)WO_(6)microflower structure,the improved electronic conductivity,and the architectural protection offered by the PPy coating,Sb_(2)WO_(6)@PPy exhibits boosted potassium storage properties,thereby demonstrating an outstanding rate property of 110.3 m A h g^(-1)at 5 A g^(-1)and delivering a long-period cycling stability with a reversible capacity of 197.2 m A h g^(-1)after 500 cycles at 1 A g^(-1).In addition,the conversion and alloying processes of Sb_(2)WO_(6)@PPy in PIBs with the generation of intermediates,K_(2)WO_(4)and K_(3)Sb,is determined by X-ray photoelectron spectroscopy,transmission electron microscopy,and exsitu X-ray diffraction during potassiation/*** functional theory calculations demonstrate that the robust coupling between PPy and Sb_(2)WO_(6)endues it with a much stronger total density of states and a built-in electric field,thereby increasing the electronic conductivity,and thus effectively reduces the K^(+)diffusion barrier.

关键词： Sb_(2)WO_(6) Polypyrrole coating Anode Potassium-ion battery In-situ TEM observation

Structural transformation from Waugh-type to Keggin-type polyoxomolybdate-based crystalline material for photo/electrocatalysis

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Rare Metals 2024年第5期43卷 2241-2250页

作者： Pei-Sen Wang Zi-Tong Wang Ya-Ya Tan Peng Chen Xue-Cheng Zhang Lu-Nan Zhang Yong-Ge Wei Lu-Bin Ni School of Chemistry and Chemical Engineering Yangzhou UniversityYangzhou 225002China key lab of Organic Optoelectronics and Molecular Engineering of Ministry of Education Department of ChemistryTsinghua UniversityBeijing 100084China state key laboratory of Natural and Biomimetic Drugs Peking UniversityBeijing100191China

An inorganicDorganic hybrid crystalline material(SiMo_(12)O_(40))[Cu(2,2'-bipy)_(2)]_(2)·2H_(2)O(Complex 1,2,2'-bipy=2,2'-bipyridine)was synthesized for the first time by using 2,2'-bipy and transition metal copper to convert Waugh-type polyoxometalate[MnMo_(9)O_(3)_(2)]_(6-)into a Keggin polyoxometalate structure[SiMo_(12)O_(40)]^(4-)under hydrothermal conditions in glass *** crystal tests and a series of characterizations were carried out on Complex *** structure of Complex 1 is composed of[SiMo_(12)O_(40)]^(4-)and[Cu^(Ⅱ)(2,2'-bipy)_(2)]^(2+).The five-coordinated Cu is connected to two 2,2'-bipy through CuDN bonds,forming an approximately square ***,Complex 1 exhibited good photocatalytic performance for methylene blue degradation and electrocatalytic nitrite reduction properties simultaneously.

关键词： Polyoxometalates Inorganic-organic hybrid materials Photocatalytic Electrocatalytic

Applying flexible molecular docking to simulate protein retention behavior in hydrophobic interaction chromatography

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Science China Chemistry 2007年第5期50卷 675-682页

作者： ZHOU Peng1, TIAN FeiFei1 & LI ZhiLiang1,2 1 College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, China 2 state key laboratory of chemo/biosensing and chemometrics, Changsha 410082, China College of Chemistry and Chemical Engineering Chongqing University Chongqing China state key laboratory of chemo/biosensing and chemometrics Changsha China

Interaction between proteins and stationary phase in hydrophobic interaction chromatography (HIC) is differentiated into two thermodynamic processes involving direct nonbonding/conformation interac- tion and surface hydrophobic effect of proteins, hence quantitatively giving rise to a binary linear rela- tion between HIC retention time (RT) at concentrated salting liquid and ligand-protein binding free en- ergy. Then, possible binding manners for 27 proteins of known crystal structures with hydrophobic ligands are simulated and analyzed via ICM flexible molecular docking and genetic algorithm, with re- sults greatly consistent with experimental values. By investigation, it is confirmed local hydrophobic effects of proteins and nonbinding/conformation interaction between ligand and protein both notably influence HIC chromatogram retention behaviors, mainly focusing on exposed portions on the protein surface.

关键词： hydrophobic interaction chromatography, flexible molecular docking, genetic algorithm, protein, salting-in factor

Highly selective electrosynthesis of 3,4-dihydroisoquinoline accompanied with hydrogen production over three-dimensional hollow CoNi-based microarray electrocatalysts

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Nano Research 2024年第4期17卷 2509-2519页

作者： Yu Xin Liyu Chen Yingwei Li Kui Shen Guangdong Provincial key lab for Green Chemical Product Technology School of Chemistry and Chemical EngineeringSouth China University of TechnologyGuangzhou 510640China state key laboratory of Pulp and Paper Engineering School of Chemistry and Chemical EngineeringSouth China University of TechnologyGuangzhou 510640China

Electrocatalytic oxidation reaction of biomass-based derivatives is an excellent candidate to replace water oxidation for obtaining both value-added products and hydrogen(H_(2)),but the exploration of competent electrocatalysts is still highly ***,two new types of three-dimensional self-supported hollow microarrays containing CoNi layered double hydroxide(CoNi-LDH)and N-doped carbon nanosheets decorated with CoNi alloyed nanoparticles(CoNi-NC)on carbon cloth(CC)are prepared,which are further used as efficient electrocatalysts for tetrahydroisoquinoline(THIQ)electrooxidation and hydrogen evolution reaction(HER),*** demonstrate that the Co-modulated electronic environment for Ni(II)/Ni(Ⅲ)redox-looping in CoNi-LDH is the main factor to boost the selectivity of 3,4-dihydroisoquinoline(DHIQ)for the indirect electrooxidation process of *** functional theory(DFT)calculations reveal that the Ni(Ⅲ)/Co(Ⅲ)dual sites of CoNi-LDH exhibit enhanced adsorption for THIQ but poorer adsorption for DHIQ compared to pure Co(Ⅲ)or Ni(Ⅲ).Therefore,the Ni(Ⅲ)/Co(Ⅲ)dual sites can effectively inhibit the peroxidation of DHIQ to isoquinoline(IQ)over CoNi-LDH,thus improving the selectivity of DHIQ to nearly 100%,much higher than that of its pure Ni ***,CC@CoNi-NC can deliver high HER activity with low overpotential(40 mV@10 mA·cm^(-2))and high exchange current density(3.08 mA·cm^(-2)).Impressively,the assembled flow-cell device with CC@CoNi-LDH anode and CC@CoNi-NC cathode only requires low cell voltage and electricity consumption of 1.6 V and 3.50 kWh per cubic meter of H_(2)(@25 mA·cm^(-2)).

关键词： highly selective electrosynthesis dihydroisoquinolines hydrogen evolution reaction metal-organic frameworks hollow microarrays

Iridium Oxide Film-Enhanced Impedance Immunosensor for Rapid Detection of Carcinoembyronic Antigen

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Chinese Journal of Chemistry 2007年第9期25卷 1288-1293页

作者：丁艳君王桦蒋建辉沈国励俞如勤 state key laboratory for chemo/biosensing and chemometrics College of Chemistry and Chemical Engineering Hunan University Changsha Hunan 410082 China

A simple, rapid and sensitive impedance immunosensor based on iridium oxide （IrOx） thin film for the detection of carcinoembyronic antigen （CEA） in human sera has been proposed. Gold electrode was electrochemically modified with IrOx thin film and simultaneously functionalized with protein A （PA） to bind anti-CEA antibodies in an orientated way. It has been found that the antibody loading amount was dependent on the PA concentration and the deposition time of IrOx matrix. Under the optimized experimental conditions, the electron transfer resistances obtained were linearly related to the CEA concentration ranging from 36.2 to 460.0 ng/mL, with a detection limit of 28.0 ng/mL. Analytical results of clinical samples from cancer patients show that the proposed immunoassay is reasonably comparable with the chemiluminescence immunoassay （CLIA）, indicating the feasibility of using the proposed method for CEA immunoassay in clinical laboratory.

关键词： impedance immunosensor carcinoembyronic antigen iridium oxide protein A

One-step reduction-encapsulated synthesis of Ag@polydopamine multicore-shell nanosystem for enhanced photoacoustic imaging and photothermal-chemodynamic cancer therapy

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Nano Research 2022年第9期15卷 8291-8303页

作者： Xiao-Rui Li Baoli Yin Lei Gao Xinhao Li Hongwen Huang Guosheng Song Yi-Ge Zhou Institute of Chemical Biology and Nanomedicine State Key Laboratory of Chemo/Biosensing and ChemometricsCollege of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082China state key laboratory of chemo/biosensing and chemometrics College of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082China College of Materials Science and Engineering Hunan UniversityChangsha 410082China

Though imaging-guided multimodal therapy has been demonstrated as an effective strategy to improve cancer diagnosis and therapy,challenge remains as to simplify the sophisticated synthesis procedure for the corresponding ***,an insitu one-step reduction-encapsulated method has been reported,for the first time,to synthesize multicore-shell polydopaminecoated Ag nanoparticles(AgNPs@PDA)as a cancer theranostic agent,integrating amplified photoacoustic imaging,enhanced photothermal therapy,and photothermal promoted dual tumor microenvironment-coactivated chemodynamic *** photoacoustic signal and the photothermal conversion efficiency of AgNPs@PDA nanosystem present a 6.6-and 4.2-fold enhancement compared to those of M-AgNPs-PDA(simply mixing PDA and AgNPs)derived from the increased interface heat transfer coefficient and the stronger near-infrared ***,AgNPs@PDA coactivated by dual tumor microenvironment(TME)enables controllable long-term release of hydroxyl radicals(·OH)and toxic Ag+,which can be further promoted by near-infrared light ***,the high efficiency of AgNPs@PDA nanosystem with prominent photoacoustic imaging-guided synergistic photothermal-chemodynamic cancer treatment is also found in in vitro and in vivo *** a special mention,the formation mechanism of the one-step synthesized multicore-shell nanomaterials is systematically *** work provides a much simplified one-step synthesis method for the construction of a versatile nanoplatform for cancer theranostics with high efficacy.

关键词： one-step synthesis multicore-shell nanosystem photoacoustic imaging enhanced photothermal therapy dual tumor microenvironment-coactivated chemodynamic therapy

Synthesis of carbon quantum dots decorating Bi_(2)MoO_(6) microspherical heterostructure and its efficient photocatalytic degradation of antibiotic norfloxacin

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Chinese Chemical Letters 2024年第8期35卷 373-378页

作者： Meijuan Chen Liyun Zhao Xianjin Shi Wei Wang Yu Huang Lijuan Fu Lijun Ma School of Human Settlements and Civil Engineering Xi’an Jiaotong UniversityXi’an 710049China key lab of Aerosol Chemistry and Physics State Key Laboratory of Loess and Quaternary Geology(SKLLQG)Institute of Earth EnvironmentChinese Academy of SciencesXi’an 710061China

In this study,three-dimensional microspherical CQDs/Bi_(2)MoO_(6)heterostructures were synthesized using a simple alcohol-thermal *** was found that the CQDs/Bi_(2)MoO_(6)had a large specific surface area of 56.0 m^(2)/g,and the introduction of CQDs extended the light absorption spectrum from 480 nm to 496 *** utilizing the synthesized CQDs/Bi_(2)MoO_(6)composite for photocatalytic degradation of antibiotic nor-floxacin in a water environment,complete decay of norfloxacin and effective removal of total organic car-bon(TOC)were achieved within 30 *** the optimization of material synthesis and experimen-tal conditions,the optimal CQDs loading amount was determined as 200μL,the optimal CQDs/Bi_(2)MoO_(6)dosage was 0.8 g/***,the CQDs/Bi_(2)MoO_(6)worked well under a wide pH range of *** co-existence of HCO_(3)−enhanced the norfloxacin decay,while the presence of Cl^(−),NO_(3)^(−),and SO_(4)^(2−)slightly retarded *** synthesized CQDs/Bi_(2)MoO_(6)had the great potential in removing and mineralizing nor-floxacin in real aquatic environments.

关键词： Bi_(2)MoO_(6) CQDs Heterojunction Norfloxacin Photocatalysis

Studies on Non-potentiometric Piezoelectric Sensor System for Determination of Vitamin B_1

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Chemical Research in Chinese Universities 2003年第3期19卷 280-285页

作者： YUAN Jin bin NIE Li hua YAO Shou zhuo state key laboratory of chemo/biosensing&chemometrics College of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082P.R.China

A piezoelectric sensor responsive to vitamin B 1 was fabricated based on the vitamin B 1 tetraphenylborate ion pair. The general performance characteristics of the sensor are presented here. The proposed sensor showed a wide working pH range, a good sensitivity and selectivity. The response range is between 1 0×10 -7 -4 9×10 -5 mol/L with a detection limit of 8×10 -8 mol/L at pH 4 0. The selectivity should be attributed to the preferential adsorption of the component ion on the membrane/solution interface. The adsorption behavior of vitamin B 1 on the crystal surface was investigated with a quartz crystal impedance(QCI) system.

关键词： Piezoelectric sensor Vitamin B_(1) Ion-pair complex