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Copper complexes of anthrahydrazone bearing pyridyl side chain:Synthesis,crystal structure,anticancer activity,and DNA binding 被引量:1
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作者 HUANG Yao WU Yingshu +5 位作者 BAO Zhichun HUANG Yue TANG Shangfeng LIU Ruixue LIU Yancheng LIANG Hong 《无机化学学报》 北大核心 2025年第1期213-224,共12页
To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bisp... To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bispyridylanthrahydrazone(9,10‑PAH)were designed and synthesized.Utilizing 9‑PAH and 9,10‑PAH as promising anticancer ligands,their respective copper complexes,namely[Cu(L1)Cl_(2)]Cl(1)and{[Cu_(4)(μ_(2)‑Cl)_(3)Cl_(4)(9,10‑PAH)_(2)(DMSO)_(2)]Cl_(2)}_(n)(2),were subsequently synthesized,where the new ligand L1 is formed by coupling two 9‑PAH ligands in the coordination reaction.The chemical and crystal structures of 1 and 2 were elucidated by IR,MS,elemental analysis,and single‑crystal X‑ray diffraction.Complex 1 forms a mononuclear structure.L1 coordinates with Cu through its three N atoms,together with two Cl atoms,to form a five‑coordinated square pyramidal geometry.Complex 2 constitutes a polymeric structure,wherein each structural unit centrosymmetrically encompasses two five‑coordinated binuclear copper complexes(Cu1,Cu2)of 9,10‑PAH,with similar square pyramidal geometry.A chlorine atom(Cl_(2)),located at the symmetry center,bridges Cu1 and Cu1A to connect the two binuclear copper structures.Meanwhile,the two five‑coordinated Cu2 atoms symmetrically bridge the adjacent structural units via one coordinated Cl atom,respectively,thus forming a 1D chain‑like polymeric structure.In vitro anticancer activity assessments revealed that 1 and 2 showed significant cytotoxicity even higher than cisplatin.Specifically,the IC_(50)values of 2 against HeLa‑229 and SK‑OV‑3 cancer cell lines were determined to be(5.92±0.32)μmol·L^(-1)and(6.48±0.39)μmol·L^(-1),respectively.2 could also block the proliferation of HeLa‑229 cells in S phase and significantly induce cell apoptosis.In addition,fluorescence quenching competition experiments suggested that 2 might interact with DNA by an intercalative binding mode,offering insights into its underlying anticancer mechanism.CCDC:2388918,1;2388919,2. 展开更多
关键词 anthrahydrazone metal complex crystal structure anticancer activity cell apoptosis
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Theoretical Insights into the Atomic and Electronic Structures of Polyperyleneimide:On the Origin of Photocatalytic Oxygen Evolution Activity
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作者 Yi-Qing Wang Zhi Lin +1 位作者 Ming-Tao Li Shao-Hua Shen 《电化学(中英文)》 北大核心 2025年第5期28-36,共9页
Polymeric perylene diimide(PDI)has been evidenced as a good candidate for photocatalytic water oxidation,yet the origin of the photocatalytic oxygen evolution activity remains unclear and needs further exploration.Her... Polymeric perylene diimide(PDI)has been evidenced as a good candidate for photocatalytic water oxidation,yet the origin of the photocatalytic oxygen evolution activity remains unclear and needs further exploration.Herein,with crystal and atomic structures of the self-assembled PDI revealed from the X-ray diffraction pattern,the electronic structure is theoretically illustrated by the first-principles density functional theory calculations,suggesting the suitable band structure and the direct electronic transition for efficient photocatalytic oxygen evolution over PDI.It is confirmed that the carbonyl O atoms on the conjugation structure serve as the active sites for oxygen evolution reaction by the crystal orbital Hamiltonian group analysis.The calculations of reaction free energy changes indicate that the oxygen evolution reaction should follow the reaction pathway of H_(2)O→^(*)OH→^(*)O→^(*)OOH→^(*)O_(2)with an overpotential of 0.81 V.Through an in-depth theoretical computational analysis in the atomic and electronic structures,the origin of photocatalytic oxygen evolution activity for PDI is well illustrated,which would help the rational design and modification of polymeric photocatalysts for efficient oxygen evolution. 展开更多
关键词 Photocatalytic oxygen evolution Polymeric perylene diimide Atomic structure Electronic structure Reaction pathway
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Synthesis and crystal structure characterization of yttrium imido complex:The reactivity of 2-substituted-1-amino-o-carborane with yttrium dialkyl complex
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作者 GUO Liping 《无机化学学报》 北大核心 2025年第7期1409-1415,共7页
2-substituted-1-amino-o-carboranes 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10)(R=CH_(3),1a;R=Ph,1b)were synthesized and the reactions of these compounds with the yttrium dialkyl complex[Y(L)(CH_(2)SiMe3)_(2)](L=[2-(2,5-Me_(2)C_(... 2-substituted-1-amino-o-carboranes 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10)(R=CH_(3),1a;R=Ph,1b)were synthesized and the reactions of these compounds with the yttrium dialkyl complex[Y(L)(CH_(2)SiMe3)_(2)](L=[2-(2,5-Me_(2)C_(4)H_(2)N)C_(6)H4NC(Ph)=NDipp]-,Dipp=2,6-iPr_(2)C_(6)H_(3))were investigated.The 1H NMR spectroscopy indicate that the reaction of ytrrium dialkyl complex with one equivalent of 2-R-1-NH_(2)-o-C_(2)B_(10)H_(10) produce the mixture of ytrrium alkyl-amido complex[Y(L)(2-R-1-NH-o-C_(2)B_(10)H_(10))(CH_(2)SiMe3)](R=CH_(3),2a;R=Ph,2b)and bis(amido)complex[Y(L)(2-R-1-NH-o-C_(2)B_(10)H_(10))_(2)](R=CH_(3),3a;R=Ph,3b).The yttrium bridging imido complex[Y(L)(2-CH_(3)-1-N-o-C_(2)B_(10)H_(10))]_(2)(4a)was obtained by heating the mixture at 55℃for 12 h.Complex 3a was isolated and characterized by treating the yttrium dialkyl complex with two equivalents of 1a.The structures of complexes 3a and 4a were verified by single-crystal Xray diffraction.CCDC:2424136,3a;2424137,4a. 展开更多
关键词 yttrium imide O-CARBORANE synthesis structure characterization
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Synthesis,crystal structure,thermal decomposition mechanism,and fluorescence properties of benzoic acid and 4-hydroxy-2,2′:6′,2″-terpyridine lanthanide complexes
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作者 HAN Yahui ZHAO Jinjin +1 位作者 REN Ning ZHANG Jianjun 《无机化学学报》 北大核心 2025年第5期969-982,共14页
Two novel lanthanide complexes,[Sm_(2)(BA)_(6)(4-OH-terpy)_(2)]·2H_(2)O·2EtOH(1)and[Pr_(2)(BA)_(6)(4-OH-terpy)_(2)(H_(2)O)_(2)]·HBA·H_(2)O(2),where HBA=benzoic acid,4-OH-terpy=4-hydroxy-2,2'∶6... Two novel lanthanide complexes,[Sm_(2)(BA)_(6)(4-OH-terpy)_(2)]·2H_(2)O·2EtOH(1)and[Pr_(2)(BA)_(6)(4-OH-terpy)_(2)(H_(2)O)_(2)]·HBA·H_(2)O(2),where HBA=benzoic acid,4-OH-terpy=4-hydroxy-2,2'∶6',2″-terpyridine,were successfully synthesized using ultrasonic dissolution and the conventional solution method with two mixed ligands HBA and 4-OH-terpy.During the synthesis,4-OH-terpy was involved in the reaction as a neutral ligand,while HBA,in its deprotonated form(BA-),coordinated with the lanthanide ions as an acidic ligand.The crystal structures of these two complexes were precisely determined by single-crystal X-ray diffraction.Elemental analysis,infrared and Raman spectroscopy,and powder X-ray diffraction techniques were also employed to further explore the physicochemical properties of the two complexes.The single-crystal X-ray diffraction data indicate that,despite their structural differences,both complexes belong to the triclinic crystal system P1 space group.The central lanthanide ions have the same coordination number but exhibit different coordination environments.To comprehensively evaluate the thermal stability of these two complexes,comprehensive tests including thermogravimetric analysis,differential thermogravimetric analysis,differential scanning calorimetry,Fourier transform infrared spectroscopy,and mass spectrometry were conducted.Meanwhile,an in-depth investigation was conducted into the 3D infrared stacked images and mass spectra of the gases emitted from the complexes.In addition,studies of the fluorescence properties of complex1 showed that it exhibited fluorescence emission matching the Sm^(3+)characteristic transition. 展开更多
关键词 lanthanide complexes crystal structure THERMOCHEMISTRY fluorescence spectrum
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Study of bonding layer for integrated structure of space gravitational wave detector telescope
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作者 ZHAO Hong-chao LIU Chang +2 位作者 ZHOU Wen-ke ZHU Han-bin CHEN Wen-duo 《中国光学(中英文)》 北大核心 2025年第3期715-724,共10页
To detect space gravitational waves in the extremely low-frequency band,the telescope and optic-al platform require high stability and reliability.However,the cantilevered design presents challenges,espe-cially in the... To detect space gravitational waves in the extremely low-frequency band,the telescope and optic-al platform require high stability and reliability.However,the cantilevered design presents challenges,espe-cially in the glass-metal hetero-bonding process.This study focuses on the analysis and experimental re-search of the bonding layer in the integrated structure.By optimizing the structural configuration and select-ing suitable bonding processes,the reliability of the telescope system is enhanced.The research indicates that using J-133 adhesive achieves the best performance,with a bonding layer thickness of 0.30 mm and a metal substrate surface roughness of Ra 0.8.These findings significantly enhance the reliability of the optical sys-tem while minimizing potential risks. 展开更多
关键词 space gravitational-wave detector integrated structure glass-metal hetero-bonding
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Numerical Analysis on Influence of Preset Bubble in a Fluidfilled Structure on the Characteristics of Projectile Penetration and Structural Failure
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作者 WU Meng−meng HOU Hai−liang +3 位作者 LI Dian LI Yong−qing XIA Wei−xue YANG Shao−hong 《船舶力学》 北大核心 2025年第6期924-940,共17页
In this paper,the failure caused by HRAM loads which were generated by high-speed projectile penetration,and protection technology of the fluid-filled structure were explored.A bubble was preset on the projectile traj... In this paper,the failure caused by HRAM loads which were generated by high-speed projectile penetration,and protection technology of the fluid-filled structure were explored.A bubble was preset on the projectile trajectory in a fluid-filled structure.Based on the reflection and transmission phenomena of pressure waves at the gas-liquid interface and the compressibility characteristics of gases,a numerical analysis was conducted on the influence of preset bubble on projectile penetration and structural failure characteristics.The results indicate that the secondary water-entry impact phenomenon occurs when a preset bubble exists on the projectile trajectory,leading to the secondary water entry impact loads.The rarefaction waves reflected on the surface of the preset bubble cause the attenuation ratio of the initial impact pressure peak to reach 68.8%and the total specific impulse attenuation ratio to reach 48.6%.Furthermore,the larger the bubble,the faster the projectile,and the more obvious the attenuation effect.Moreover,due to the compressibility of the bubble,the global deformation attenuation ratio of the front and rear walls can reach over 80%.However,the larger the bubble size,the faster the projectile velocity,the smaller the local deformation attenuation effect of the rear wall,and the more severe the failure at the perforation of the rear wall. 展开更多
关键词 fluid-filled structure preset bubble HRAM loads PROJECTILE PENETRATION ATTENUATION
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Structure and magnetic properties of Mn(Ⅱ)coordination polymers regulated by N-auxiliary ligands
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作者 LIU Xiaxia MA Xiaofang +2 位作者 GUO Luxia HAN Xianda FENG Sisi 《无机化学学报》 北大核心 2025年第3期587-596,共10页
Two new Mn(Ⅱ)coordination polymers,namely{[Mn_(2)(HL)(phen)_(3)(H_(2)O)_(2)]·7.5H_(2)O}_n(1)and[Mn_(4)(HL)_(2)(1,4-bib)_(3)(H_(2)O)_(2)]_n(2),were synthesized under hydrothermal conditions by using Mn(Ⅱ)ions an... Two new Mn(Ⅱ)coordination polymers,namely{[Mn_(2)(HL)(phen)_(3)(H_(2)O)_(2)]·7.5H_(2)O}_n(1)and[Mn_(4)(HL)_(2)(1,4-bib)_(3)(H_(2)O)_(2)]_n(2),were synthesized under hydrothermal conditions by using Mn(Ⅱ)ions and 6-(3',4'-dicarboxylphenoxy)-1,2,4-benzenetricarboxylic acid(H_(5)L)in the presence of N-auxiliary ligands 1,10-phenanthroline(phen)and1,4-bis(1H-imidazol-1-yl)benzene(1,4-bib).The structures of coordination polymers 1 and 2 were characterized by infrared spectroscopy,single-crystal X-ray diffraction,thermogravimetric analysis,and powder X-ray diffraction.Single-crystal X-ray diffraction reveals that 1 has a 1D chain structure based on binuclear Mn(Ⅱ)units,while 2 features a(3,8)-connected 3D network structure based on tetranuclear Mn(Ⅱ)units.Magnetic studies show that 1 and 2exhibit antiferromagnetic interactions between manganese ions.2 shows stronger antiferromagnetic interactions due to the shorter Mn…Mn distances within the tetranuclear manganese units.CCDC:2357601,1;2357602,2. 展开更多
关键词 coordination polymers crystal structures binuclear Mnunit tetranuclear Mnunit MAGNETISM
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Structure variation of cadmium naphthalene⁃diphosphonates with the changing rigidity of N⁃donor auxiliary ligands
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作者 XU Yan LI Suzhi +3 位作者 LI Yan FENG Lushun SUN Wentao LI Xinxing 《无机化学学报》 北大核心 2025年第2期395-406,共12页
Five cadmium naphthalene-diphosphonates,formulated as[Cd_(1.5)(1,4-ndpaH_(2))2(4,4'-bpyH)(4,4'-bpy)0.5(H_(2)O)_(2)]2(1),[Cd(1,4-ndpaH_(2))(1,4-bib)0.5(H_(2)O)](2),[Cd(1,4-ndpaH3)2(1,2-dpe)(H_(2)O)]·(1,2-d... Five cadmium naphthalene-diphosphonates,formulated as[Cd_(1.5)(1,4-ndpaH_(2))2(4,4'-bpyH)(4,4'-bpy)0.5(H_(2)O)_(2)]2(1),[Cd(1,4-ndpaH_(2))(1,4-bib)0.5(H_(2)O)](2),[Cd(1,4-ndpaH3)2(1,2-dpe)(H_(2)O)]·(1,2-dpe)·7H_(2)O(3),(1,2-bixH)[Cd3(1,4-ndpaH)(1,4-ndpaH_(2))2(H_(2)O)_(2)](4),and[Cd(1,4-ndpaH_(2))(H_(2)O)]·H_(2)O(5),have been synthesized from the selfassembly reactions of 1,4-naphthalenediphosphonic acid(1,4-ndpaH4)with Cd(NO3)2·4H_(2)O by introducing auxiliary ligands with variation of rigidity,such as 4,4'-bipyridine(4,4'-bpy),1,4-bis(1-imidazolyl)benzene(1,4-bib),1,2-di(4-pyridyl)ethylene(1,2-dpe),1,3-di(4-pyridyl)propane(1,3-dpp),and bis(imidazol-1-ylmethyl)benzene(1,2-bix),respectively.Structure resolution by single-crystal X-ray diffraction reveals that compound 1 possesses a layered framework,in which the{Cd3(PO2)2}trimers made up of corner-sharing two{CdO4N2}and one{CdO6}octahedra are connected by phosphonate groups,forming a ribbon,which are cross-linked by 4,4'-bipy ligands,forming a 2D layer.Compound 2 shows a 3D open-framework structure,where chains of corner-sharing{CdO4N}trigonal bipyramids and{PO3C}tetrahedra are cross-linked by 1,4-bib and/or phosphonate groups.A 1D ladder-like chain structure is found in compound 3,where the ladder-like chains made up of corner-sharing{CdO5N}octahedra and{PO3C}tetra hedra are connected by 1,4-ndpaH_(2)^(2-).Both compounds 4 and 5 obtained by the introduction of flexible ligands during the synthesis show a 2D layered structure,which is formed by ligand crosslinking double metal chains.Interestingly,In 4,flexible 1,2-bix was singly protonated,as guest molecules,filled between layer and layer,while flexible ligand 1,3-dpp is absent in 5.Photophysical measurements indicate that compounds 1-5 show ligand-centered emissions. 展开更多
关键词 naphthalene diphosphate N-donor auxiliary ligands crystal structure RIGIDITY flexibility
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Changing the pore structure and surface chemistry of hard carbon by coating it with a soft carbon to boost high-rate sodium storage
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作者 ZHONG Qin MO Ying +9 位作者 ZHOU Wang ZHENG Biao WU Jian-fang LIU Guo-ku Mohd Zieauddin Kufian Zurina Osman XU Xiong-wen GAO Peng YANG Le-zhi LIU Ji-lei 《新型炭材料(中英文)》 北大核心 2025年第3期651-665,共15页
Changes to the microstructure of a hard carbon(HC)and its solid electrolyte interface(SEI)can be effective in improving the electrode kinetics.However,achieving fast charging using a simple and inexpensive strategy wi... Changes to the microstructure of a hard carbon(HC)and its solid electrolyte interface(SEI)can be effective in improving the electrode kinetics.However,achieving fast charging using a simple and inexpensive strategy without sacrificing its initial Coulombic efficiency remains a challenge in sodium ion batteries.A simple liquid-phase coating approach has been used to generate a pitch-derived soft carbon layer on the HC surface,and its effect on the porosity of HC and SEI chemistry has been studied.A variety of structural characterizations show a soft carbon coating can increase the defect and ultra-micropore contents.The increase in ultra-micropore comes from both the soft carbon coatings and the larger pores within the HC that are partially filled by pitch,which provides more Na+storage sites.In-situ FTIR/EIS and ex-situ XPS showed that the soft carbon coating induced the formation of thinner SEI that is richer in NaF from the electrolyte,which stabilized the interface and promoted the charge transfer process.As a result,the anode produced fastcharging(329.8 mAh g^(−1)at 30 mA g^(−1)and 198.6 mAh g^(−1)at 300 mA g^(−1))and had a better cycling performance(a high capacity retention of 81.4%after 100 cycles at 150 mA g^(−1)).This work reveals the critical role of coating layer in changing the pore structure,SEI chemistry and diffusion kinetics of hard carbon,which enables rational design of sodium-ion battery anode with enhanced fast charging capability. 展开更多
关键词 Hard carbon Pitch-derived carbon coating Sodium-ion batteries Pore structure Surface chemistry
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In situ synthesis,crystal structure,and magnetic characterization of a trinuclear copper complex based on a multi-substituted imidazo[1,5-a]pyrazine scaffold
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作者 WANG Zhaodong 《无机化学学报》 北大核心 2025年第3期597-604,共8页
A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]py... A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]pyrazine scaffold was serendipitously prepared from the reaction of the pro-ligand of H_(2)L1(N,N'-bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide) with CuSO_(4)·5H_(2O) in aqueous solution at room temperature.Complex 1 was characterized by IR,single-crystal X-ray analysis,and magnetic susceptibility measurements.Single-crystal X-ray analysis reveals that the complex consists of three Cu(Ⅱ) ions,two in situ transformed L2~-ligands,two coordinated sulfates,seven coordinated water molecules,and eight uncoordinated water molecules.Magnetic susceptibility measurement indicates that there are obvious ferromagnetic coupling interactions between the adjacent Cu(Ⅱ) ions in 1.CCDC:1852713. 展开更多
关键词 amide ligand copper complex single crystal structure C-N coupling magnetic characterization
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Modifying the pore structure of biomass-derived porous carbon for use in energy storage systems
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作者 XIE Bin ZHAO Xin-ya +5 位作者 MA Zheng-dong ZHANG Yi-jian DONG Jia-rong WANG Yan BAI Qiu-hong SHEN Ye-hua 《新型炭材料(中英文)》 北大核心 2025年第4期870-888,共19页
The development of sustainable electrode materials for energy storage systems has become very important and porous carbons derived from biomass have become an important candidate because of their tunable pore structur... The development of sustainable electrode materials for energy storage systems has become very important and porous carbons derived from biomass have become an important candidate because of their tunable pore structure,environmental friendliness,and cost-effectiveness.Recent advances in controlling the pore structure of these carbons and its relationship between to is energy storage performance are discussed,emphasizing the critical role of a balanced distribution of micropores,mesopores and macropores in determining electrochemical behavior.Particular attention is given to how the intrinsic components of biomass precursors(lignin,cellulose,and hemicellulose)influence pore formation during carbonization.Carbonization and activation strategies to precisely control the pore structure are introduced.Finally,key challenges in the industrial production of these carbons are outlined,and future research directions are proposed.These include the establishment of a database of biomass intrinsic structures and machine learning-assisted pore structure engineering,aimed at providing guidance for the design of high-performance carbon materials for next-generation energy storage devices. 展开更多
关键词 Energy storage systems Porous carbon Biomass precursors Pore structure Machine learning-assisted
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Synthesis,structure,and magnetic property of a cobalt(Ⅱ)complex based on pyridyl⁃substituted imino nitroxide radical
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作者 WANG Xiaoling ZHANG Hongwu LIU Daofu 《无机化学学报》 北大核心 2025年第2期407-412,共6页
A new cobalt(Ⅱ)-radical complex:[Co(im4-py)_(2)(PNB)_(2)](im4-py=2-(4'-pyridyl)-4,4,5,5-tetramethylimidazole-1-oxyl,HPNB=p-nitrobenzoic acid)has been synthesized and characterized by X-ray diffraction analysis,el... A new cobalt(Ⅱ)-radical complex:[Co(im4-py)_(2)(PNB)_(2)](im4-py=2-(4'-pyridyl)-4,4,5,5-tetramethylimidazole-1-oxyl,HPNB=p-nitrobenzoic acid)has been synthesized and characterized by X-ray diffraction analysis,elemental analysis,IR,and magnetic properties.X-ray diffraction analysis shows that the complex exists as mononuclear molecules and Co(Ⅱ)ion is four-coordinated with two radicals and two PNB-ligands.The magnetic susceptibility study indicates the complex exhibits weak ferromagnetic interactions between cobalt(Ⅱ)and im4-py radical.The magnetic property is explained by the magnetic and structure exchange mechanism.CCDC:976028. 展开更多
关键词 Co(Ⅱ)complex imino nitroxide radical crystal structure magnetic property
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Syntheses,crystal structures,and diametrically opposed mechanically-stimulated luminescence response of two Mg(Ⅱ)metal-organic frameworks
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作者 CHEN Yukun FENG Kexin +2 位作者 ZHANG Bolun SONG Wentao ZHANG Jianjun 《无机化学学报》 北大核心 2025年第6期1227-1234,共8页
The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and... The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and[Mg_(2)(L)_(2)(DMSO)_(3)(H_(2)O)](2)with a 2D(4,4)-net structure.Interestingly,the two compounds exhibit distinct luminescent responses to external mechanical stimuli.1 exhibited exceptional resistance mechanical chromic luminescence(RMCL),which can be attributed to the predominant hydrogen bonds and the presence of high-boiling-point solvent molecules within its structure.2 had a reversible MCL property,which can be attributed to the dominantπ-πweak interactions,coupled with the reversible destruction/restoration of its crystallinity under grinding/fumigation.CCDC:2410963,1;2410964,2. 展开更多
关键词 metal-organic framework crystal structure mechanical chromic luminescence resistance mechanical chromic luminescence weak interaction
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Tailoring the pore structure of hard carbon for enhanced sodium-ion battery anodes
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作者 SONG Ning-Jing MA Can-liang +3 位作者 GUO Nan-nan ZHAO Yun LI Wan-xi LI Bo-qiong 《新型炭材料(中英文)》 北大核心 2025年第2期377-391,共15页
Biomass-derived hard carbons,usually prepared by pyrolysis,are widely considered the most promising anode materials for sodium-ion bat-teries(SIBs)due to their high capacity,low poten-tial,sustainability,cost-effectiv... Biomass-derived hard carbons,usually prepared by pyrolysis,are widely considered the most promising anode materials for sodium-ion bat-teries(SIBs)due to their high capacity,low poten-tial,sustainability,cost-effectiveness,and environ-mental friendliness.The pyrolysis method affects the microstructure of the material,and ultimately its so-dium storage performance.Our previous work has shown that pyrolysis in a sealed graphite vessel im-proved the sodium storage performance of the car-bon,however the changes in its microstructure and the way this influences the sodium storage are still unclear.A series of hard carbon materials derived from corncobs(CCG-T,where T is the pyrolysis temperature)were pyrolyzed in a sealed graphite vessel at different temperatures.As the pyrolysis temperature increased from 1000 to 1400℃ small carbon domains gradually transformed into long and curved domains.At the same time,a greater number of large open pores with uniform apertures,as well as more closed pores,were formed.With the further increase of pyrolysis temperature to 1600℃,the long and curved domains became longer and straighter,and some closed pores gradually became open.CCG-1400,with abundant closed pores,had a superior SIB performance,with an initial reversible ca-pacity of 320.73 mAh g^(-1) at a current density of 30 mA g^(-1),an initial Coulomb efficiency(ICE)of 84.34%,and a capacity re-tention of 96.70%after 100 cycles.This study provides a method for the precise regulation of the microcrystalline and pore structures of hard carbon materials. 展开更多
关键词 Pore structure regulation Closed pore Corn cob Hard carbon anode material Sodium-ion batteries
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Patterned Three-Dimensional Photonic Crystal Structures Based on Paper Substrates
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作者 WANG Ye-qi LI Xiu +1 位作者 HUANG Min LIU Yu 《印刷与数字媒体技术研究》 北大核心 2025年第4期62-69,共8页
In the printing industry,the common method of coloring relies on inks,which contains amounts of chemical agents,causing environment pollution.However,structural color achieves coloration through the refraction and dif... In the printing industry,the common method of coloring relies on inks,which contains amounts of chemical agents,causing environment pollution.However,structural color achieves coloration through the refraction and diffraction of light by periodic structure,offering eco-friendly and fade-resistant advantages,as well as colorful.In this study,screen printing was used to create patterned mask on paper substrates.Then,coated SiO_(2)microspheres on the mask to create structural color patterns with angle-dependent color characteristics.The patterns showed color changes from rose-red to orange to green by changing the viewing angle.By changing the color grayscale,the absorption of stray light by the substrate was enhanced,thereby the brightness and saturation of the structural color improved too.This method is simple,cost-effective,and environmentally friendly,and it has highly promising for the application in printing and anti-counterfeiting. 展开更多
关键词 Photonic crystal structural color Screen printing SiO_(2)microsphere Environmental protection
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Syntheses,crystal structures,and characterizations of two cadmium(Ⅱ)coordination polymers
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作者 LI Xiumei LI Linlin +1 位作者 LIU Bo PAN Yaru 《无机化学学报》 北大核心 2025年第3期613-623,共11页
Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfull... Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy,elemental analyses,single-crystal X-ray diffraction,powder X-ray diffraction,and thermogravimetric analysis.The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.Meanwhile,complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.In addition,both 1and 2 exhibited luminescent properties in the solid state.Furthermore,quantum chemical calculations were carried out on the"molecular fragments"extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian 16 program.The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ)ions.CCDC:2332173,1;2332176,2. 展开更多
关键词 coordination polymer cadmium(Ⅱ)complex crystal structure quantum⁃chemical calculations
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First-principles study on the structure-property relationship of AlX and InX(X=N,P,As,Sb)
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作者 HE Zhihao DING Jiafu +1 位作者 WANG Yunjie SU Xin 《无机化学学报》 北大核心 2025年第5期1007-1019,共13页
This paper delves into the theoretical mechanisms of the electronic structure and optical properties of aluminum-based semiconductors(AlX,X=N,P,As,Sb)and indium-based semiconductors(InX,X=N,P,As,Sb)as potential materi... This paper delves into the theoretical mechanisms of the electronic structure and optical properties of aluminum-based semiconductors(AlX,X=N,P,As,Sb)and indium-based semiconductors(InX,X=N,P,As,Sb)as potential materials for optical devices.Band structure calculations reveal that,except for InSb,all other compounds are direct bandgap semiconductors,with AlN exhibiting a bandgap of 3.245 eV.The valence band maximum of these eight compounds primarily stems from the p-orbitals of Al/In and X.In contrast,the conduction band minimum is influenced by all orbitals,with a predominant contribution from the p-orbitals.The static dielectric constant increased with the expansion of the unit cell volume.Compared to AlX and InX with larger X atoms,AlN and InN showed broader absorption spectra in the near-ultraviolet region and higher photoelectric conductance.Regarding mechanical properties,AlN and InN displayed greater shear and bulk modulus than the other compounds.Moreover,among these eight crystal types,a higher modulus was associated with a lower light loss function value,indicating that AlN and InN have superior transmission efficiency and a wider spectral range in optoelectronic material applications. 展开更多
关键词 aluminium‑based semiconductor indium‑based semiconductor first principle electronic structure optical property
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HTEC foot:A novel foot structure for humanoid robots combining static stability and dynamic adaptability
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作者 Jintao Zhang Xuechao Chen +6 位作者 Zhangguo Yu Lianqiang Han Zhifa Gao Qingrui Zhao Gao Huang Ke Li Qiang Huang 《Defence Technology(防务技术)》 2025年第2期30-51,共22页
Passive bionic feet,known for their human-like compliance,have garnered attention for their potential to achieve notable environmental adaptability.In this paper,a method was proposed to unifying passive bionic feet s... Passive bionic feet,known for their human-like compliance,have garnered attention for their potential to achieve notable environmental adaptability.In this paper,a method was proposed to unifying passive bionic feet static supporting stability and dynamic terrain adaptability through the utilization of the Rigid-Elastic Hybrid(REH)dynamics model.First,a bionic foot model,named the Hinge Tension Elastic Complex(HTEC)model,was developed by extracting key features from human feet.Furthermore,the kinematics and REH dynamics of the HTEC model were established.Based on the foot dynamics,a nonlinear optimization method for stiffness matching(NOSM)was designed.Finally,the HTEC-based foot was constructed and applied onto BHR-B2 humanoid robot.The foot static stability is achieved.The enhanced adaptability is observed as the robot traverses square steel,lawn,and cobblestone terrains.Through proposed design method and structure,the mobility of the humanoid robot is improved. 展开更多
关键词 Humanoid robot Bionic structure Passive foot structure Rigid-elastic hybrid dynamics model Optimal stiffness matching
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Experimental investigation on the anti-detonation performance of composite structure containing foam geopolymer backfill material
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作者 Hang Zhou Hujun Li +6 位作者 Zhen Wang Dongming Yan Wenxin Wang Guokai Zhang Zirui Cheng Song Sun Mingyang Wang 《Defence Technology(防务技术)》 2025年第1期304-318,共15页
The compression and energy absorption properties of foam geopolymers increase stress wave attenuation under explosion impacts,reducing the vibration effect on the structure.Explosion tests were conducted using several... The compression and energy absorption properties of foam geopolymers increase stress wave attenuation under explosion impacts,reducing the vibration effect on the structure.Explosion tests were conducted using several composite structure models,including a concrete lining structure(CLS)without foam geopolymer and six foam geopolymer composite structures(FGCS)with different backfill parameters,to study the dynamic response and wave dissipation mechanisms of FGCS under explosive loading.Pressure,strain,and vibration responses at different locations were synchronously tested.The damage modes and dynamic responses of different models were compared,and how wave elimination and energy absorption efficiencies were affected by foam geopolymer backfill parameters was analyzed.The results showed that the foam geopolymer absorbed and dissipated the impact energy through continuous compressive deformation under high strain rates and dynamic loading,reducing the strain in the liner structure by 52%and increasing the pressure attenuation rate by 28%.Additionally,the foam geopolymer backfill reduced structural vibration and liner deformation,with the FGCS structure showing 35%less displacement and 70%less acceleration compared to the CLS.The FGCS model with thicker,less dense foam geopolymer backfill,having more pores and higher porosity,demonstrated better compression and energy absorption under dynamic impact,increasing stress wave attenuation efficiency.By analyzing the stress wave propagation and the compression characteristics of the porous medium,it was concluded that the stress transfer ratio of FGCS-ρ-579 was 77%lower than that of CLS,and the transmitted wave energy was 90%lower.The results of this study provide a scientific basis for optimizing underground composite structure interlayer parameters. 展开更多
关键词 Explosion load Composite structure Geopolymer foam Energy absorption
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Identifying potential hazards of opencast mining area using acoustic velocity structure imaging method
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作者 DONG Long-jun YAN Ming-chun +2 位作者 PEI Zhong-wei ZHANG Yi-han YANG Long-bin 《Journal of Central South University》 2025年第2期405-419,共15页
Identifying potential hazards is crucial for maintaining the structural stability of opencast mining area.To address the limitations of irregular structure and sparse microseismic events in opencast mining monitoring,... Identifying potential hazards is crucial for maintaining the structural stability of opencast mining area.To address the limitations of irregular structure and sparse microseismic events in opencast mining monitoring,this paper proposes an active-source imaging method for identifying potential hazards precisely based on velocity structure.This method innovatively divides the irregular structure into unstructured grids and introduces a damping and smoothing regularization operator into the inversion process,mitigating the ill-posedness caused by the sparse distribution of events and rays.Numerical and laboratory experiments were conducted to verify the reliability and effectiveness of the proposed method.The results demonstrate the competitive performance of the method in identifying hazard areas of varying sizes and numbers.The proposed method shows potential for meeting hazard identification requirements in the complex opencast mining structure.Furthermore,field experiments were conducted on an rare earth mine slope.It confirms that the proposed method provides a more concrete and intuitive scheme for stability monitoring for the microseismic monitoring system.This paper not only demonstrates the application of acoustic structure velocity imaging technology in detecting unstructured potential hazard regions but also provides valuable insights into the construction and maintenance of stable opencast mining area. 展开更多
关键词 opencast mining traveltime tomography ray tracing velocity structure
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