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Molecular Dynamics Simulation Studies on the Micromorphology and Proton Transport of Nafion/Ti_(3)C_(2)T_(x) Composite Membrane

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Chinese Journal of Polymer Science 2024年第3期42卷 373-387,I0009页

作者： Zhi-Yue han Su-Peng Pei chun-yang Yu Yong-Feng Zhou School of Chemical and Environmental Engineering Shanghai Institute of TechnologyShanghai 201418China School of Chemistry&Chemical Engineering Frontiers Science Center for Transformative MoleculesShanghai Key Laboratory of Electrical Insulation and Thermal AgingShanghai Jiao Tong UniversityShanghai 200240China Key Laboratory of Green and High-end Utilization of Salt Lake Resources Chinese Academy of SciencesXining 810008China

The perfluorosulfonic acid(PFSA) membrane doped with two-dimensional conductive filler Ti_(3)C_(2)T_(x) is a fuel cell proton exchange membrane with high application potential. Experimental studies showed that the proton conductivity of Nafion/Ti_(3)C_(2)T_(x) composite membrane is improved significantly compared with that in pure Nafion. However, the microscopic mechanism of doping on the enhancement of membrane performance is remain unclear now. In this work, molecular dynamics simulation was used to investigate the microscopic morphology and proton transport behaviors of Nafion/Ti_(3)C_(2)T_(x) composite membrane at the molecular level. The results shown that there were significant differences about the diffusion kinetics of water molecules and hydroxium ions in Nafion/Ti_(3)C_(2)T_(x) at low and high hydration levels in the nanoscale *** the increase of water content, Ti_(3)C_(2)T_(x) in membrane was gradually surrounded by ambient water molecules to form a hydration layer, and forming a relatively continuous proton transport channel between Nafion polymer and Ti_(3)C_(2)T_(x) monomer. The continuous proton transport channel could increase the number of binding sites of proton and thus achieving high proton conductivity and high mobility of water molecules at higher hydration level. The current work can provide a theoretical guidance for designing new type of Nafion composite membranes.

关键词： Nafion/Ti_(3)C_(2)T_(x)composite membrane Proton transport Molecular dynamics simulation

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ZnO/ZnS heterostructure in N-doped porous carbon for anchoring-diffusion-conversion of polysulfides for high-performance lithium-sulfur batteries

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Rare Metals 2024年第8期43卷 3661-3676页

作者： Fei Wang Rong-Wei Huang Wen-Chang han chun-Man yang Wen-Hao yang Peng Dong Chao-Ling Wu Yi-Yong Zhang Xue Li Ying-Jie Zhang National Local Joint Engineering Research Center for LithiumIon Batteries and Materials Preparation Technology Key Laboratory of Advanced Batteries Materials of Yunnan ProvinceFaculty of Metallurgical and Energy EngineeringKunming University of Science and TechnologyKunming 650093China Engineering Research Center of Alternative Energy Materials and Devices Sichuan UniversityMinistry of EducationChengdu 610065China

The shuttle effect of polysulfides is one of the key factors hindering the commercialization of lithiumsulfur batteries(LSBs).Owing to their high conductivity and advantageous structure,heterostructures can be used in sulfur fixation and catalysis of *** this study,a flower-shaped ZnO/ZnS heterostructure on a nitrogendoped porous carbon(NPC) sulfur host was *** ZnO/ZnS heterostructure regulates the electronic structure of the material and exhibits higher metal-like ***,the ZnO/ZnS heterostructure combines the strong adsorption property of ZnO and the high catalytic ability of ZnS to realize the anchoring-diffusionconversion of lithium poly sulfides(LiPSs).Results reveal that the developed ZnO/ZnS@NPC/S cathode has excellent electrochemical performance in LSBs,achieving a high discharge specific capacity of 1365.3 mAh·g^(-1) at 0.1C and excellent rate capability(719 mAh·g^(-1) at 2C;the capacity decay rate is only 0.042% per cycle after 1000 cycles).Even under a high sulfur loading-E/S(electrolyte/sulfur)ratio of 5.1 mg·cm^(-2)-6 μl·mg^(-1),a high specific capacity of 723.7 mAh·g^(-1) is maintained after 60 *** study provides a new strategy for a multifunctional sulfur host that can effectively alleviate the shuttle effect of LiPSs and improve the utilization of sulfur active substances.

关键词： ZnO/ZnS heterostructure Lithium-sulfur batteries Density functional theory Anchor Conversion

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Thickness dependence of superconductivity in layered GeP_(5)

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Rare Metals 2024年第3期43卷 1323-1328页

作者： Lin Wu Ke-Meng yang Wei Gan Rui-chun Xiao Ya-Jie Dai Xi Tang Hong Lin Hui han Hui Li Information Materials and Intelligent Sensing Laboratory of Anhui Province Institute of Physical Science and Information TechnologyAnhui UniversityHefei230601China

Understanding the relationship between dimensionality and superconductivity has attracted substantial research *** this work,we report the effective modulation of superconductivity in GeP_(5)through *** superconducting phase transition temperature improves by~10%as the thickness of GeP_(5)decreases from bulk to~96 nm,behaving as a unique negative relationship between the superconducting phase transition temperatureand thickness.

关键词： superconductivity dimensionality

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Resurgence of pertussis:reasons and coping strategies

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World Journal of Pediatrics 2024年第7期20卷 639-642页

作者： chun-Zhen Hua han-Qing He Qiang Shu Department of Infectious Diseases National Clinical Research Center for Child HealthChildren’s HospitalZhejiang University School of MedicineHangzhou310052China Department of Immunization Program Zhejiang Provincial Center for Disease Control and PreventionHangzhou310051China National Clinical Research Center for Child Health Children’s HospitalZhejiang University School of MedicineHangzhou310052China

Pertussis(whooping cough)is an acute and contagious respiratory disease caused by the pathogen Bordetella pertussis(***).*** can infect individuals of all *** with pertussis may experience severe and persistent coughing and paroxysms;for newborns and infants,pertussis may be *** development and widespread administration of the pertussis vaccine had once successfully brought pertussis under control,maintaining it at a low level for many ***,resurgence of pertussis has been reported in many countries even with high vaccination coverage *** resurgence of pertussis was first reported in the United States(USA)in 1993[1].During 2000–2016,the baseline incidence increased and the age distribution of pertussis changed in the USA[2].Other countries including Canada[3],Australia[4],European Union countries,and South Korea have also reported a rise in pertussis outbreaks[2,5].

关键词： pertussis Canada surge

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Research on the solid particle erosion wear of pipe steel for hydraulic fracturing based on experiments and numerical simulations

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Petroleum Science 2024年第4期21卷 2779-2792页

作者： Si-Qi yang Jian-chun Fan Ming-Tao Liu De-Ning Li Jun-Liang Li Li-Hong han Jian-Jun Wang Shang-Yu yang Si-Wei Dai Lai-Bin Zhang State Key Laboratory of Oil and Gas Equipment CNPC Tubular Goods Research Institute Key Laboratory of Oil and Gas Safety and Emergency Technology China University of Petroleum Oil Production Technology Research Institute of Liaohe Oilfield Company Tianjin Gas Storage Branch PetroChina Dagang Oilfield Company Petroleum Production Engineering Research Institute Daqing Oilfield Company

Erosion wear is a common failure mode in the oil and gas industry. In the hydraulic fracturing, the fracturing pipes are not only in high-pressure working environment, but also suffer from the impact of the high-speed solid particles in the fracturing fluid. Beneath such complex conditions, the vulnerable components of the pipe system are prone to perforation or even burst accidents, which has become one of the most serious risks at the fracturing site. Unfortunately, it is not yet fully understood the erosion mechanism of pipe steel for hydraulic fracturing. Therefore, this article provides a detailed analysis of the erosion behavior of fracturing pipes under complex working conditions based on experiments and numerical simulations. Firstly, we conducted erosion experiments on AISI 4135 steel for fracturing pipes to investigate the erosion characteristics of the material. The effects of impact angle, flow velocity and applied stress on erosion wear were comprehensively considered. Then a particle impact dynamic model of erosion wear was developed based on the experimental parameters, and the evolution process of particle erosion under different impact angles, impact velocities and applied stress was analyzed. By combining the erosion characteristics, the micro-structure of the eroded area, and the micro-mechanics of erosion damage, the erosion mechanism of pipe steel under fracturing conditions was studied in detail for the first time. Under high-pressure operating conditions, it was demonstrated through experiments and numerical simulations that the size of the micro-defects in the eroded area increased as the applied stress increased, resulting in more severe erosion wear of fracturing pipes.

关键词： Erosion wear Applied stress Particle impact dynamics Erosion mechanism

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Copper-Free Click Chemistry-Mediated Assembly of Single Quantum Dot Nanosensor for Accurately Monitoring Locus-Specific m^(6)A in Cancer Cells

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Chinese Journal of Chemistry 2024年第5期42卷 499-504页

作者： Yue-Ying Li Ning-Ning Zhao Yi-Xuan Geng Qian han Jian-Ge Qiu Bing-Hua Jiang Zi-Yue Wang chun-yang Zhang Translational Medicine Center The First Affiliated Hospital of Zhengzhou UniversityThe Academy of Medical SciencesHenan Institute of Medical and Pharmaceutical Sciences BGI CollegeZhengzhou UniversityZhengzhouHenan450052 China College of Chemistry Chemical Engineering and Materials ScienceShandong Normal UniversityJinanShandong250014 China School of Chemistry and Chemical Engineering Southeast UniversityNanjingJiangsu211189 China

N6-methyladenosine(m^(6)A)plays an important role in embryogenesis,nuclear export,transcription splicing,and protein translation ***,we demonstrate a copper-free click chemistry-mediated assembly of single quantum dot(QD)nanosensor for accurately monitoring locus-specific m^(6)A in cancer *** m^(6)A-sensitive endoribonuclease MazF can digest the unmethylated A-RNA,and the intact m^(6)A-RNA then hybridizes with DNA probes a and b to produce a sandwich hybrid,initiating the click chemistry to generate probe a–b ligation product via first tandem ligation detection reaction(LDR)***,DNA probes c and d can hybridize with the probe a–b ligation product to generate the probe c–d ligation product via second LDR *** LDR cycles can be repeated through denaturation and annealing reaction to generate abundant biotin-/fluorophore-modified probe c–d ligation products that can easily assemble on the QD surface to induce distinct fluorescence resonance energy transfer(FRET)between QD and *** assay can be homogenously performed without the involvement of copper catalyst,m^(6)A-specific antibody,radioactive labeling,ligase enzyme,enzymatic reverse transcription,and next-generation ***,it can discriminate even 0.01% m^(6)A level in complex samples and accurately measure cellular m^(6)A-RNA expression,providing a promising avenue for clinical diagnostics and biomedical research.

关键词： RNA methylation Click chemistry Förster resonance energy transfer Biosensor Cancer

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Molecular mechanism for the unusual enhancement of the second-step chemiluminescence production from the carcinogenic tetrabromohydroquinone and H2O_(2)

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Journal of Environmental Sciences 2024年第7期141卷 330-342页

作者： Zi-han Wang chun-Hua Huang Zhi-Sheng Liu Li Mao Ben-Zhan Zhu State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China College of Environment and Resources University of Chinese Academy of SciencesBeijing 100049China

We have found recently that two-step intrinsic hydroxyl radical(·OH)-dependent chemiluminescence(CL)could be produced by carcinogenic tetrahaloquinone and H_(2)O_(2).However,the first-step CL was too fast to clearly detect the stepwise generation of·OH and CL,and to distinguish the exact dividing point between the first-step and second-step *** we found that,extremely clear two-step intrinsic CL could be produced by the relative slow reaction of tetrabromohydroquinone(TBHQ)with H_(2)O_(2),which was directly dependent on the two-step·OH ***,the second-step,but not the first-step CL production of TBHQ/H_(2)O_(2)(CRET donor)was markedly enhanced by fluorescein(a typical xanthene dye,CRET acceptor)through a unique chemiluminescence resonance energy transfer(CRET)*** novel CRET system of TBHQ/H_(2)O_(2)/fluorescein was successfully applied for the sensitive detection of TBHQ with the detection limit as low as 2.5μmol/*** findings will help to develop more sensitive and highly efficient CL or CRET systems and specific CL sensor to detect the carcinogenic haloquinones,which may have broad environmental applications.

关键词： Two-step chemiluminescence Bromohydroquinone Hydrogen peroxide Hydroxyl radical CRET

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Safflower Yellow Inhibits Progression of Hepatocellular Carcinoma by Modulating Immunological Tolerance via FAK Pathway

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Chinese Journal of Integrative Medicine 2024年第4期30卷 339-347页

作者： JI Hua-feng yang Zi-qiang han Jun-jun LI He-fang JIN Zhao-qing CHEN Wei-qing CHEN Fei-hua GONG Mou-chun Department of General Surgery First People's Hospital of Hangzhou Lin'an DistrictHangzhou(311300)China

Objective To explore the anti-tumor effect of safflower yellow(SY)against hepatocellular carcinoma(HCC)and the underlying potential *** An in vitro model was established by mixing Luc-Hepa1-6 cells and CD3^(+)CD8^(+)T cells,followed by adding programmed cell death protein 1(PD-1)antibody(Anti-mPD-1)with or without *** apoptosis was detected by flow cytometry and the level of inflammatory cytokines was determined by enzyme-linked immunosorbent *** protein levels of programmed cell death 1 ligand 1(PD-L1),chemokine ligand(CCL5),C-X-C motif chemokine ligand 10(CXCL10)were measured by Western *** in situ animal model was established in mice followed by treatment with anti-mPD-1 with or without *** imaging was monitored with an AniView 100 imaging *** establish the FAK-overexpressed Luc-Hepa1-6 cells,cells were transfected with adenovirus containing pcDNA3.1-FAK for 48 *** The fluorescence intensity,apoptotic rate,release of inflammatory cytokines,and CCL5/CXCL10 secretion were dramatically facilitated by anti-mPD-1(Phanced by SY(Phanced by SY(Phanced effects of SY on inhibiting tumor cell growth,facilitating apoptosis and inflammatory cytokine releasing,suppressing the PD-1/PD-L1 axis,and inducing the CCL5/CXCL10 secretion in Anti-mPD-1 treated mixture of Luc-Hepa1-6 cells and CD3+CD8+T cells were abolished by FAK overexpression(P<0.01).Conclusion SY inhibited the progression of HCC by mediating immunological tolerance through inhibiting FAK.

关键词： hepatocellular carcinoma safflower yellow Chinese medicine tumor microenvironment programmed cell death protein 1 focal adhesion kinase

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Unraveling the incompatibility mechanism of ethylene carbonate-based electrolytes in sodium metal anodes

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Journal of Energy Chemistry 2024年第7期94卷 560-567页

作者： Daomin Qin Fangyuan Cheng Meilian Cao Feiyang Yan Qian Wang chun Fang Jiantao han State Key Laboratory of Material Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan430074HubeiChina

Ethylene carbonate(EC)is widely used in lithium-ion batteries due to its optimal overall performance with satisfactory conductivity,relatively stable solid electrolyte interphase(SEI),and wide electrochemical *** is also the most widely used electrolyte solvent in sodium ion ***,compared to lithium metal,sodium metal(Na)shows higher activity and reacts violently with EC-based electrolyte(NaPF_(6)as solute),which leads to the failure of sodium metal batteries(SMBs).Herein,we reveal the electrochemical instability mechanism of EC on sodium metal battery,and find that the com-bination of EC and NaPF_(6) is electrically reduced in sodium metal anode during charging,resulting in the reduction of the first coulombic efficiency,and the continuous consumption of electrolyte leads to the cell *** address the above issues,an additive modified linear carbonate-based electrolyte is provided as a substitute for EC based ***,ethyl methyl carbonate(EMC)and dimethyl carbon-ate(DMC)as solvents and fluoroethylene carbonate(FEC)as SEI-forming additive have been identified as the optimal solvent for NaFP_(6)based electrolyte and used in Na_(4)Fe_(3)(PO_(4))_(2)(P_(2)O_(7))/Na *** batter-ies exhibit excellent capacity retention rate of about 80%over 1000 cycles at a cut-off voltage of 4.3 V.

关键词： Na metal batteries Ethylene carbonate decomposition Na_(4)Fe_(3)(PO_(4))_(2)(P_(2)O_(7))cathode Interface engineering Ethylene carbonate-free electrolyte

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Apple SINA11-JAZ2 module is involved in jasmonate signaling response

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Journal of Integrative Plant Biology 2024年第7期66卷 1270-1273页

作者： Di Ai Lei Zhao chun-Xiang You Yuepeng han Jian-Ping An State Key Laboratory of Plant Diversity and Specialty Crops CAS Key Laboratory of Plant Germplasm Enhancement and Specialty AgricultureWuhan Botanical Garden of Chinese Academy of SciencesWuhan 430074China Hubei Hongshan Laboratory Wuhan 430070China University of Chinese Academy of Sciences Beijing 100049China Apple Technology Innovation Center of Shandong Province College of Horticulture Science and EngineeringShandong Agricultural UniversityTai-An 271018China

Jasmonic acid(JA)is an important phytolipid hormone involved in regulating many processes of plant growth and development,and plays a key role in plant resistance to biotic and abiotic *** the first discovery of methy... 详细信息

关键词： nat Apple involv

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