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Chinese Journal of Chemistry 2024年第3期42卷 294-300页

作者： Xuefeng Jia yanyan Wen Changhui He Xianqiang huang Key Laboratory of Magnetic Molecules and Magnetic Information Materials of Ministry of Education School of Chemistry and Materials ScienceShanxi Normal UniversityTaiyuanShanxi030032 China Shandong Provincial Key Laboratory of Chemical Energy Storage and Novel Cell technology School of Chemistry & Chemical EngineeringLiaocheng UniversityLiaochengShandong252059 China

Palladium-catalyzed Mizoroki-Heck reaction is a powerful and efficient method for construction of Csp2–Csp2 ***,four palladium complexes(I—IV)with N,O-bidentate ligands(L1—L4)based on N-oxide units from cyclic secondary amines were easily synthesized and successfully applied in Mizoroki-Heck reaction of aryl bromides with electron-deficient olefins.X-ray diffraction analyses indicated the palladium(II)atom of II took the distorted square planar geometry and was four-coordinated by nitrogen and oxygen atoms from two ligands(L2).Two free chloride ions were presented as counter anions in complex *** the palladium(II)center of IV was coordinated by nitrogen and oxygen atoms from one ligand(L4)as well as two chlorine atoms,which exhibited the nearly square-planar *** study on catalytic properties of palladium complexes revealed that complex II exhibited high activity superior to the other *** coupling reactions of a series of aryl bromides and olefin derivatives proceeded in the presence of 2—5 mol%palladium complex II,giving the desired products in good to excellent *** advantages of this method such as good compatibility of functional groups,high yields,and short reaction times made it more attractive for constructing Csp2–Csp2 bonds in the synthesis of functional molecules and materials.

关键词： Palladium complexes N,O-Bidentate ligands N-Oxide units Mizoroki-Heck reaction Aryl bromide Electron-deficient olefins C—C coupling Homogeneous catalysis Substituent effects

Decadal prediction skill for Eurasian surface air temperature in CMIP6 models

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Atmospheric and Oceanic science Letters 2024年第1期17卷 9-13页

作者： yanyan huang Ni huang Qianfei Zhao Collaborative Innovation Center on Forecast and Evaluation of Meteorological Disasters Nanjing University of Information Science&TechnologyNanjingChina Southern Marine science and Engineering Guangdong Laboratory(Zhuhai) ZhuhaiChina Nansen–Zhu International Research Centre Institute of Atmospheric PhysicsChinese Academy of SciencesBeijingChina Dalian Meteorological Bureau of Liaoning Province DalianChina

评估CMIP6年代际预测试验对季节平均SAT的预测技巧的结果表明:模式不能有效预测冬季和秋季SAT的年代际变率.IPSL-CM6A-LR和多模式集合平均对于春季SAT展现了预测技巧,其中对于变率的预测技巧好于振幅的结果.基于蒙古和我国华北地区的显... 详细信息

评估CMIP6年代际预测试验对季节平均SAT的预测技巧的结果表明:模式不能有效预测冬季和秋季SAT的年代际变率.IPSL-CM6A-LR和多模式集合平均对于春季SAT展现了预测技巧,其中对于变率的预测技巧好于振幅的结果.基于蒙古和我国华北地区的显著预测技巧,模式对于夏季SAT表现出最佳的预测水平.与外部强迫相比,模式对于SAT的预测技巧可能来自初始化.模式中的一个明显系统性误差值得注意,即模式中冬季SAT的变率可以持续到其他季节,而在观测中其他季节的SAT变化与冬季SAT相对独立.

关键词：欧亚地表温度年代际预测 CMIP6 DCPP

Copper-based nanomaterials as peroxidase candidates for intelligent colorimetric detection and antibacterial applications

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Particuology 2024年第1期84卷 126-135页

作者： yanyan huang Huimin Zhong Cong Jiang Jiahui Yang Jingwen Zhang Fei Zhao Chaoqun Liu College of Light Industry and Food Engineering Nanjing Forestry UniversityNanjing210037China College of Pharmacy Institutes of Environment and MedicineHenan UniversityKaifeng475004China

With natural polyphenol compound tannic acid(TA)as the ingredient,copper tannate(CuTA)nanolayer material was formed by self-assembly under the conditions of heating and copper *** ion and tannic acid could coordinate to form Cu-O-C structure which was similar to the Fe-N-C structure of natural heme *** addition,the obtained CuTA nanomaterial possessed excellent peroxidase-like catalytic activity and *** on this excellent enzymatic activity,CuTA nanomaterials could be used for colorimetric detection of hydrogen peroxide with a smartphone and decomposition of organic *** on the structural characteristics and catalytic activity,the copper tannate nanozymes could also serve as potential antibacterial reagents to effectively inhibit the growth of gram-negative and positive bacteria in a low hydrogen peroxide *** work may promote the exploration of novel peroxidase mimetics and broaden the applications of nanozymes.

关键词： Nanozyme Colorimetric detection Smartphone Antibacteria

Facilitated Prediction of Micropollutant Degradation via UV-AOPs in Various Waters by Combining Model Simulation and Portable Measurement

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Engineering 2024年第6期37卷 87-95页

作者： yanyan huang Mengkai Li Zhe Sun Wentao Li James R.Bolton Zhimin Qiang Key Laboratory of Drinking Water science and technology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China university of Chinese Academy of sciences Beijing 100049China Department of Civil and Environmental Engineering University of AlbertaEdmontonAB T6G 1H9Canada State Key Laboratory of Environmental Aquatic Chemistry Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China

The degradation of micropollutants in water via ultraviolet(UV)-based advanced oxidation processes(AOPs)is strongly dependent on the water *** reactive radicals(RRs)formed in UV-AOPs have different reaction selectivities toward water matrices and degradation efficiencies for target ***,process selection and optimization are *** study developed a facilitated prediction method for the photon fluence-based rate constant for micropollutant degradation(K′_(p,MP))in various UV-AOPs by combining model simulation with portable *** methods for measuring the scavenging capacities of the principal RRs(RRSCs)involved in UV-AOPs(i.e.,HO^(·),SO_(4)^(·-),and Cl^(·))using a mini-fluidic photoreaction system were *** simulation models consisted of photochemical,quantitative structure–activity relationship,and radical concentration steady-state approximation *** RRSCs were determined in eight test waters,and a higher RRSC was found to be associated with a more complex water ***,by taking sulfamethazine,caffeine,and carbamazepine as model micropollutants,the k′_(p,MP) values in various UV-AOPs were predicted and further verified experimentally.A lower k′_(p,MP) was found to be associated with a higher RRSC for a stronger RR competition;for example,k′_(p,MP) values of 130.9 and 332.5 m^(2) einstein^(–1),respectively,were obtained for carbamazepine degradation by UV/H_(2)O_(2) in the raw water(RRSC=9.47×10^(4) s^(-1))and sand-filtered effluent(RRSC=2.87×10^(4) s^(-1))of a drinking water treatment *** developed method facilitates process selection and optimization for UV-AOPs,which is essential for increasing the efficiency and cost-effectiveness of water treatment.

关键词： UV-AOPs Micropollutant degradation Reactive radicals Water matrix Model simulation

Molecular dynamics simulation of mechanical properties of TATB/fluorine-polymer PBXs along different surfaces

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science china Chemistry 2005年第6期48卷 504-510页

作者： XIAO Jijun1, huang Yucheng1, HU Yingjie1,2 & XIAO Heming1 1. Department of Chemistry, nanjing university of science and technology, nanjing 210094, china 2. Department of Chemistry, nanjing Xiaozhuang College, nanjing 210017, china Correspondence should be addressed to Xiao Heming (email: xiao@***) Department of Chemistry Nanjing University of Science and Technology Nanjing China Department of Chemistry Nanjing Xiaozhuang College Nanjing China

The mechanical properties of PBXs composed of the well-known insensitive explo-sive TATB (1,3,5-Triamino-2,4,6-trinitrobenzene) crystal and four kinds of typical fluo-rine-polymers, i.e. poly (vinylidene difluoride) (PVDF), polychlorotrifluoroethylene (PCTFE), fluo-rine rubber (F2311) and fluorine resin (F2314) individually, have been simulated by molecular dy-namics (MD) method. The results show that the mechanical properties of TATB can be effectively improved by blending with a small amount of fluorine-polymers. Different mechanical properties of PBXs are obtained by putting fluorine-polymer binders parallel to different crystalline surfaces. The whole effect of improving mechanical properties is found to be (010)?(100)>(001).

关键词： TATB, polymer bonded explosives, mechanical properties, molecular dynamics.

Quantitative structure－activity study on the reductive dehalogenation potency of the halogenated aromatics

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Journal of Environmental sciences 1995年第2期7卷 183-189页

作者： huang Qingguo Wang Liansheng Han Shuokui(Department of Environmental science and technology, nanjing university , nanjing 210008 , china) Dept of Envmlt Sci & Tech Nanjing Univ Nanjing China

Ｑｕａｎｔｉｔａｔｉｖｅｓｔｒｕｃｔｕｒｅ－ａｃｔｉｖｉｔｙｓｔｕｄｙｏｎｔｈｅｒｅｄｕｃｔｉｖｅｄｅｈａｌｏｇｅｎａｔｉｏｎｐｏｔｅｎｃｙｏｆｔｈｅｈａｌｏｇｅｎａｔｅｄａｒｏｍａｔｉｃｓＨｕａｎｇＱｉｎｇｇｕｏ；... 详细信息

Ｑｕａｎｔｉｔａｔｉｖｅｓｔｒｕｃｔｕｒｅ－ａｃｔｉｖｉｔｙｓｔｕｄｙｏｎｔｈｅｒｅｄｕｃｔｉｖｅｄｅｈａｌｏｇｅｎａｔｉｏｎｐｏｔｅｎｃｙｏｆｔｈｅｈａｌｏｇｅｎａｔｅｄａｒｏｍａｔｉｃｓＨｕａｎｇＱｉｎｇｇｕｏ；ＷａｎｇＬｉａｎｓｈｅｎｇ；Ｈａｎ...

关键词： quantitative structure - activity relationship(QSAR) halogenated arornatics dehalogenation poten-cy discriminant function.

Suppress oxygen evolution of lithium-rich manganese-based cathode materials via an integrated strategy

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Green Energy & Environment 2024年第1期9卷 138-151页

作者： Wenhua Yu yanyan Wang Aimin Wu Aikui Li Zhiwen Qiu Xufeng Dong Chuang Dong Hao huang Key Laboratory of Energy Materials and Devices(Liaoning Province) School of Materials Science and EngineeringDalian University of TechnologyDalian116024Liaoning ProvinceChina Dalian Engineering Research Center for New Electric Power Systerms School of Electrical EngineeringDalian University of TechnologyDalian116024Liaoning ProvinceChina

Improving the reversibility of anionic redox and inhibiting irreversible oxygen evolution are the main challenges in the application of high reversible capacity Li-rich Mn-based cathode materials.A facile synchronous lithiation strategy combining the advantages of yttrium doping and LiYO_(2) surface coating is *** doping effectively suppresses the oxygen evolution during the delithiation process by increasing the energy barrier of oxygen evolution reaction through strong Y–O bond ***_(2) nanocoating has the function of structural constraint and protection,that protecting the lattice oxygen exposed to the surface,thus avoiding irreversible *** an Li^(+) conductor,LiYO_(2) nano-coating can provide a fast Li^(+) transfer channel,which enables the sample to have excellent rate *** synergistic effect of Y doping and nano-LiYO_(2) coating integration suppresses the oxygen release from the surface,accelerates the diffusion of Li^(+)from electrolyte to electrode and decreases the interfacial side reactions,enabling the lithium ion batteries to obtain good electrochemical *** lithium-ion full cell employing the Y-1 sample(cathode)and commercial graphite(anode)exhibit an excellent specific energy density of 442.9 Wh kg^(-1) at a current density of 0.1C,with very stable safety performance,which can be used in a wide temperature range(60 to-15℃)stable *** result illustrates a new integration strategy for advanced cathode materials to achieve high specific energy density.

关键词： Lithium-rich manganese-based cathodes Lithium ion batteries Oxygen redox Oxygen evolution Integrated strategy

Apatinib and gamabufotalin co-loaded lipid/Prussian blue nanoparticles for synergistic therapy to gastric cancer with metastasis

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Journal of Pharmaceutical Analysis 2024年第5期14卷 707-721页

作者： Binlong Chen Yanzhong Zhao Zichang Lin Jiahao Liang Jialong Fan yanyan huang Leye He Bin Liu Health Management Center The Third Xiangya HospitalCentral South UniversityChangsha410013China Department of Urology The Third Xiangya HospitalCentral South UniversityChangsha410013China Department of Laboratory Medicine The Third Xiangya HospitalCentral South UniversityChangsha410013China College of Biology Hunan UniversityChangsha410082China

Due to the non-targeted release and low solubility of anti-gastric cancer agent,apatinib(Apa),a first-line drug with long-term usage in a high dosage often induces multi-drug resistance and causes serious side *** order to avoid these drawbacks,lipid-film-coated Prussian blue nanoparticles(PB NPs)with hyaluronan(HA)modification was used for Apa loading to improve its solubility and targeting ***,anti-tumor compound of gamabufotalin(CS-6)was selected as a partner of Apawith reducing dosage for combinational gastric ***,HA-Apa-Lip@PB-CS-6 NPs were constructed to synchronously transport the two drugs into tumor *** vitro assay indicated that HA-Apa-Lip@PB-CS-6 NPs can synergistically inhibit proliferation and invasion/metastasis of BGC-823 cells via downregulating vascular endothelial growth factor receptor(VEGFR)and matrix metalloproteinase-9(MMP-9).In vivo assay demonstrated strongest anti-tumor growth and liver metastasis of HA-Apa-Lip@PB-CS-6 NPs administration in BGC-823 cells-bearing mice compared with other groups due to the excellent penetration in tumor tissues and outstanding synergistic *** summary,we have successfully developed a new nanocomplexes for synchronous Apa/CS-6 delivery and synergistic gastric cancer(GC)therapy.

关键词： Apatinib Gamabufotalin Lipid/Prussian blue nanoparticles Gastric cancer

Corrosion behavior of Gd_(2)Zr_(2)O_(7)thermal barrier coatings under Fe-containing environmental sediment attack

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Journal of Advanced Ceramics 2024年第4期13卷 447-462页

作者： Lei Guo yanyan Li Kai Yan school of Materials science and Engineering Tianjin UniversityTianjin 300072China Tianjin Key Laboratory of Advanced Joining technology Key Lab of Advanced Ceramics and Machining Technology of Ministry of EducationTianjin 300072China Key Laboratory of Special Equipment Safety and Energy-saving for State Market Regulation China Special Equipment Inspection&Research InstituteBeijing 100029China

Environmental sediments mainly consisting of CaO–MgO–Al_(2)O_(3)–SiO_(2)(CMAS)corrosion are a serious threat to thermal barrier coatings(TBCs),in which Fe element is usually ***_(2)Zr_(2)O_(7)TBCs are famous for their excellent CMAS *** this study,the characteristics of Fe-containing environmental sediments(CMAS-Fe)and their corrosiveness to Gd_(2)Zr_(2)O_(7)coatings were *** types of CMAS-Fe glass with different Fe contents were *** melting points were measured to be 1322–1344℃,and the high-temperature viscosity showed a decreasing trend with increasing Fe *** corrosion behavior of four types of CMAS-Fe to Gd_(2)Zr_(2)O_(7)coatings at 1350℃was *** the initial corrosion stage(0.1 h),anorthite was precipitated in CMAS-Fe with a high Ca:Si ratio,while Fe-garnet was formed in the melt with the highest Fe *** the corrosion time resulted in the formation of a reaction layer,which exhibited an interpenetrating network composed of Gd-oxyapatite,ZrO_(2),and residual *** spinel was precipitated within the reaction *** 1 h or even longer time,the reaction layers tended to be stable and compact,which had comparable hardness and fracture toughness to those of Gd_(2)Zr_(2)O_(7)*** the cyclic CMAS-Fe attack,the residual CMAS-Fe in the interpenetrating network provided a pathway for the redeposited CMAS-Fe infiltration,resulting in the continuous growth of the reaction *** a result,the Gd_(2)Zr_(2)O_(7)coatings had a large consumption in the thickness,degrading the coating ***,the Gd_(2)Zr_(2)O_(7)coatings exhibit unsatisfactory corrosion resistance to CMAS-Fe attack.

关键词： thermal barrier coatings(TBCs) Gd_(2)Zr_(2)O_(7) Fe-containing CaO-MgO-Al2O3-SiO_(2)(CMAS) corrosion resistance reaction layer