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Copper complexes of anthrahydrazone bearing pyridyl side chain:Synthesis,crystal structure,anticancer activity,and DNA binding
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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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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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Quantile-based optimization under uncertainties for complex engineering structures using an active learning basis-adaptive PC-Kriging model
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作者 Yulian GONG Jianguo ZHANG +1 位作者 Dan XU Ying HUANG 《Chinese Journal of Aeronautics》 2025年第1期340-352,共13页
The Reliability-Based Design Optimization(RBDO)of complex engineering structures considering uncertainties has problems of being high-dimensional,highly nonlinear,and timeconsuming,which requires a significant amount ... The Reliability-Based Design Optimization(RBDO)of complex engineering structures considering uncertainties has problems of being high-dimensional,highly nonlinear,and timeconsuming,which requires a significant amount of sampling simulation computation.In this paper,a basis-adaptive Polynomial Chaos(PC)-Kriging surrogate model is proposed,in order to relieve the computational burden and enhance the predictive accuracy of a metamodel.The active learning basis-adaptive PC-Kriging model is combined with a quantile-based RBDO framework.Finally,five engineering cases have been implemented,including a benchmark RBDO problem,three high-dimensional explicit problems,and a high-dimensional implicit problem.Compared with Support Vector Regression(SVR),Kriging,and polynomial chaos expansion models,results show that the proposed basis-adaptive PC-Kriging model is more accurate and efficient for RBDO problems of complex engineering structures. 展开更多
关键词 Reliability-based design optimization Quantile-based Basis-adaptive PC-Kriging complex engineering structures Active learning Uncertainty
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Synthesis,crystal structure,and DNA‑binding of binuclear lanthanide complexes based on a multidentate Schiff base ligand
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作者 GUAN Xiaofen LIU Yating +5 位作者 LI Jia HU Yiwen DING Haiyuan SHI Yuanjing WANG Zhiqiang WANG Wenmin 《无机化学学报》 SCIE CAS CSCD 北大核心 2024年第12期2486-2496,共11页
Two new dinuclear lanthanidecomplexes,namely[Ln_(2)(dbm)_(2)(HL)_(2)(CH_(3)OH)_(2)]·4CH_(3)OH[Ln=Tb(1)and Dy(2),Hdbm=dibenzoylmethane]have been synthesized using prepared multidentate Schiff base ligand H_(3)L(hy... Two new dinuclear lanthanidecomplexes,namely[Ln_(2)(dbm)_(2)(HL)_(2)(CH_(3)OH)_(2)]·4CH_(3)OH[Ln=Tb(1)and Dy(2),Hdbm=dibenzoylmethane]have been synthesized using prepared multidentate Schiff base ligand H_(3)L(hydroxy‑acetic acid(4‑diethylamino‑2‑hydroxy‑benzylidene)‑hydrazide)with good biological activity.Structure characterizations show that the complex comprises two Ln3+ions,two dbm-ions,two HL^(2-)ligands,two CH_(3)OH molecules,and four free methanol molecules.Each Ln^(3+)ion is eight‑coordinated.The two central Lnions are bridged by twoμ_(2)‑O atoms leading to a parallelogram[Ln2O2]core.The interaction between the compounds(H_(3)L,1,and 2)and the calf thymus DNA(CT‑DNA)has been further confirmed by UV‑Vis spectrometry,fluorescence titration,and cyclic voltammetry.The results showed that both 1 and 2 could undergo insertion with CT‑DNA.CCDC:2343005,1;2343006,2. 展开更多
关键词 binuclear lanthanide complexes crystal structures multidentate Schiff base DNA INSERTION
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Two novel Cu(Ⅰ)complexes based on diimide and bisphosphine ligands:synthesis,crystal structure and spectroscopic properties
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作者 FAN Sijie ZHAO Jingtong +6 位作者 ZHANG Shuai ZHANG Yuxin SUN Zhenzhou LI Zhongfeng HAN Hongliang XIN Xiulan JIN Qionghua 《黑龙江大学自然科学学报》 CAS 2024年第5期526-535,共10页
Two Cu(Ⅰ)complexes[Cu(Bphen)(dppBz)]ClO_(4)·2CH_(3)OH(1)and[Cu_(2)(Bphen)_(2)(dpppda)]BF_(4)(2){Bphen=4,7-diphenyl-1,10-phenanthroline,dppBz=1,2-Bis(diphenylphosphino)benzene,dpppda=N1,N1,N4,N4-tetrakis[(dipheny... Two Cu(Ⅰ)complexes[Cu(Bphen)(dppBz)]ClO_(4)·2CH_(3)OH(1)and[Cu_(2)(Bphen)_(2)(dpppda)]BF_(4)(2){Bphen=4,7-diphenyl-1,10-phenanthroline,dppBz=1,2-Bis(diphenylphosphino)benzene,dpppda=N1,N1,N4,N4-tetrakis[(diphenylphosphino)methyl]-1,4-benzenediamin}were synthesized using a one-pot method.X-ray crystallography was used to elucidate their crystal structures and photophysical properties.A series of characterization tests including elemental analysis,NMR,FT-IR,UV-Vis absorption spectroscopy,fluorescence spectroscopy,thermal gravimetric analysis and terahertz time-domain spectroscopy(THz-TDS)were used to further investigate their properties.The results show that complex 1 structure is mononuclear containing two solvent molecules per unit cell,while complex 2 structure is binuclear containing two metal centers per unit cell.According to photophysical properties and density functional theory(DFT)calculations,their luminescence properties can be attributed to metal-to-ligand charge transfer(MLCT).Both complexes have a unique stability,which is confirmed by thermal gravimetric analysis. 展开更多
关键词 Cu(Ⅰ)complex crystal structure fluorescence spectrum terahertz time-domain spectroscopy
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Synthesis,crystal structures,and antibacterial activities of two zinc(Ⅱ) complexes bearing 5⁃phenyl⁃1H⁃pyrazole group
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作者 LIU Chao WU Jiang JIN Zhaolei 《无机化学学报》 SCIE CAS CSCD 北大核心 2024年第10期1986-1994,共9页
A novel compound(H_(2)L)SCN(5⁃methyl⁃3⁃phenyl⁃2H⁃pyrazol⁃1⁃ium thiocyanate)has been obtained by the reaction of thiosemicarbazide with benzoylacetone in ethanol.Two zinccomplexes[Zn(HL)_(2)(NCS)(CH_(3)COO)](1)and[Zn_(... A novel compound(H_(2)L)SCN(5⁃methyl⁃3⁃phenyl⁃2H⁃pyrazol⁃1⁃ium thiocyanate)has been obtained by the reaction of thiosemicarbazide with benzoylacetone in ethanol.Two zinccomplexes[Zn(HL)_(2)(NCS)(CH_(3)COO)](1)and[Zn_(2)(L)_(2)(HL)_(2)(NCS)_(2)]_(2)·2CH_(3)OH(2)have been synthesized by the coordination reactions of Zn(OAc)_(2)·2H_(2)O or ZnCl_(2)with(H_(2)L)SCN under reflux conditions.Elemental analyses and single⁃crystal X⁃ray diffraction have con⁃firmed the structures of the synthesized compounds.The(H_(2)L)SCN ligand and complex 1 pertain to the triclinic sys⁃tem with space group P1,while complex 2 belongs to the monoclinic system with space group P2_(1)/n.Additionally,the antibacterial activities of the compounds were evaluated in vitro using the agar diffusion method against the bac⁃terial strains(Candida albicans,Staphylococcus aureus,and Escherichia coli).The results showed that the ligand exhibited relatively good antibacterial activities against the bacteria,and the complexes possessed stronger antibac⁃terial activities against the same bacteria than the free ligand.CCDC:2190252,(H2L)SCN;2190253,1;2190256,2. 展开更多
关键词 zinccomplex 5⁃phenyl⁃1H⁃pyrazole THIOCYANATE crystal structure BACTERIA
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Synthesis and Crystal Structure of t he Complex of Antimony Trichloride and Dioxane 被引量:1
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作者 臧祥生 陈娅如 +2 位作者 栾绍嵘 钟国清 郭应臣 《无机化学学报》 SCIE CAS CSCD 北大核心 2001年第6期901-904,共4页
New solid complex of the antimony trichloride and dioxane was obtained th rough a reaction of the dioxane and the absolute methanol solution of the antimony trichloride.The formula of the complex is[SbCl_(3)·{(CH... New solid complex of the antimony trichloride and dioxane was obtained th rough a reaction of the dioxane and the absolute methanol solution of the antimony trichloride.The formula of the complex is[SbCl_(3)·{(CH_(2))_(4)O_(2)}_(1.5)].The crystal structure of the comple x belongs to cubic system,space group I-43d,a=17.1417(5)?,Z=16.The trivalent antimony ion not only bonds directly to three chlorine anions,but also is co ordinated by three oxygen atoms of th e dioxane molecules.Two oxygen atoms in a dioxane molecule wi ll coordinate to different antimony ions,respectively. 展开更多
关键词 dioxane complex of antimony trichloride synthesis crystal structure
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Syntheses,crystal structures,and quantum chemistry calculation of two Ni(Ⅱ)coordination polymers 被引量:1
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作者 LI Xiumei HUANG Yanju +1 位作者 LIU Bo PAN Yaru 《无机化学学报》 SCIE CAS CSCD 北大核心 2024年第10期2031-2039,共9页
Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmeth... Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmethyl)butane(bib)by a hydrothermal method,respectively.X⁃ray crystallography reveals a 2D network constructed by six⁃coordinated Ni(Ⅱ)centers,bib,and Hpdc2-ligands in complex 1,while a 2D network is built by Ni(Ⅱ)and bib ligands in 2.Furthermore,the quantum⁃chemical calculations have been performed on‘molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method in Gaussian 16 and the VASP program.CCDC:2343794,1;2343798,2. 展开更多
关键词 coordination polymer nickel(Ⅱ)complex crystal structure quantum⁃chemical calculation
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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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Crystal structure,phase transitions,and thermodynamic properties of magnesium metavanadate(MgV_(2)O_(6)) 被引量:1
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作者 Guishang Pei Cheng Pan +2 位作者 Dapeng Zhong Junyi Xiang Xuewei Lv 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第4期1449-1460,共12页
As a promising anode material for magnesium ion rechargeable batteries,magnesium metavanadate(MgV_(2)O_(6))has attracted considerable research interest in recent years.A MgV_(2)O_(6)sample was synthesized via a facile... As a promising anode material for magnesium ion rechargeable batteries,magnesium metavanadate(MgV_(2)O_(6))has attracted considerable research interest in recent years.A MgV_(2)O_(6)sample was synthesized via a facile solid-state reaction by multistep-firing stoichiometric mixtures of MgO and V2O5 powder under an air atmosphere.The solid-state phase transition fromα-MgV_(2)O_(6)toβ-MgV_(2)O_(6)occurred at 841 K and the enthalpy change was 4.37±0.04 kJ/mol.The endothermic effect at 1014 K and the enthalpy change was 26.54±0.26 kJ/mol,which is related to the incongruent melting ofβ-MgV_(2)O_(6).In situ XRD was performed to investigate phase transition of the as-prepared MgV_(2)O_(6)at high temperatures.The cell parameters obtained by Rietveld refinement indicated that it crystallizes in a monoclinic system with the C2/m space group,and the lattice parameters of a=9.280 A°,b=3.501 A°,c=6.731 A°,β=111.76°.The solid-state phase transition fromα-MgV_(2)O_(6)toβ-MgV_(2)O_(6)was further studied by thermal kinetics,indicating that this process is controlled first by a fibril-like mechanism and then by a spherulitic-type mechanism with an increasing heating rate.Additionally,the enthalpy change of MgV_(2)O_(6)at high temperatures was measured utilizing the drop calorimetry,heat capacity was calculated and given as:Cp=208.3+0.03583T-4809000T^(−2)(298-923 K)(J mol^(−1)K^(−1)),the high-temperature heat capacity can be used to calculate Gibbs free energy of MgV_(2)O_(6)at high temperatures. 展开更多
关键词 MgV_(2)O_(6) crystal structure Phase transitions Thermodynamic functions
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New poly-types of LPSO structures in a non-equilibrium Mg_(97)Zn_(1)Y_(1.6)Ca_(0.4)alloy
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作者 Qian-qian Jin Zi-hui Tang +5 位作者 Wen-long Xiao Xiu-yu Qu Xu-hao Han Lin Mei Xiao-hong Shao Xiu-liang Ma 《China Foundry》 2025年第1期83-89,共7页
In this study,a comprehensive analysis of microstructural features,morphology,crystal structures,and interface structures of long-period stacking ordered(LPSO)structures in a non-equilibrium Mg_(97)Zn_(1)Y_(16)Ca_(0.4... In this study,a comprehensive analysis of microstructural features,morphology,crystal structures,and interface structures of long-period stacking ordered(LPSO)structures in a non-equilibrium Mg_(97)Zn_(1)Y_(16)Ca_(0.4)alloy cast in a steel mold was carried out.The addition of Ca element plays an important role in the refinement of LPSO structure.The result reveals new poly-types including 20H F2F2F4,60R(F2F3F3)_(3),and 66H F2F3F3F2(F6)_(4)featuring a 6-Mg structure,alongside the prevalent 18R and 14H LPSO structures.The incoherent interface between 20H and the Mg matrix is split into two dislocation arrays,leading to the formation of a segment of 60R_(1).Moreover,the superstructure 116L,designated as(F2)_(18)F4,is formed through the ordered distribution of F4 stacking faults in 18R. 展开更多
关键词 LPSO structures crystal structure Mg alloys heterogeneous interface
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Stable structures and properties of Ru_(2)Al_(5)
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作者 Jing Luo Meiguang Zhang +1 位作者 Xiaofei Jia Qun Wei 《Chinese Physics B》 2025年第1期414-420,共7页
Novel ordered intermetallic compounds have stimulated much interest.Ru–Al alloys are a prominent class of hightemperature structural materials,but the experimentally reported crystal structure of the intermetallic Ru... Novel ordered intermetallic compounds have stimulated much interest.Ru–Al alloys are a prominent class of hightemperature structural materials,but the experimentally reported crystal structure of the intermetallic Ru_(2)Al_(5) phase remains elusive and debatable.To resolve this controversy,we extensively explored the crystal structures of Ru_(2)Al_(5) using first-principles calculations combined with crystal structure prediction technique.Among the calculated x-ray diffraction patterns and lattice parameters of five candidate Ru2Al5structures,those of the orthorhombic Pmmn structure best aligned with recent experimental results.The structural stabilities of the five Ru_(2)Al_(5)structures were confirmed through formation energy,elastic constants,and phonon spectrum calculations.We also comprehensively analyzed the mechanical and electronic properties of the five candidates.This work can guide the exploration of novel ordered intermetallic compounds in Ru–Al alloys. 展开更多
关键词 crystal structure prediction mechanical properties first-principles calculations
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Synthesis,crystal structure and photo-physical properties of tris(4-methyl-2,5-diphenylpyridine)iridium for OLED
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作者 FENG Yangyang XU Mingming +4 位作者 WANG Hongyou ZHU Yunyao LUO Yuan LEI Huaidong CHEN Honglai 《贵金属》 CAS 北大核心 2024年第3期28-32,共5页
Organic light-emitting diodes(OLEDs)have important applications in the field of next-generation displays and lighting,and phosphorescent iridium complexes are an important class of electroluminescent phosphorescent ma... Organic light-emitting diodes(OLEDs)have important applications in the field of next-generation displays and lighting,and phosphorescent iridium complexes are an important class of electroluminescent phosphorescent materials.In this paper,Ir(bmppy)_(3),tris(4-methyl-2,5-diphenylpyridine)iridium,was synthesized and elvaluted for photo-physical characteristics.Single crystals suitale for X-ray diffraction(XRD)were grown from a mixture solvent of dichloromethane and absolute ethanol.The composition and structur of Ir(bmppy)_(3)were determined by element analysis,NMR spectra and XRD.The complex crystallizes in the monoclinic symmetry with the space group P21/c with a slightly distorted octahedral configuration.As measured by UV-Visible and photoluminescence spectra,Ir(bmppy)_(3) displays a maximum emission at at 527 nm at ambient temperature,a typical green-emitting profile.The complex has potential for application in the OLED industry. 展开更多
关键词 OLED iridium complex phosphorescent material crystal structure photo-physical properties Ir(bmppy)_(3)
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Crystal structure transformation and lattice impurities migration of quartz during chlorine roasting
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作者 Wenda Guo Haolong Lu +4 位作者 Zhenyue Zhang Ling Jiang Hanjun Wu Defeng Liu Ruan Chi 《International Journal of Mining Science and Technology》 SCIE EI CAS CSCD 2024年第10期1465-1474,共10页
To investigate the effect of chlorine roasting on the migration and removal of trace elements in quartz lattice,firstly,an efficient pretreatment process,grinding–HCl washing–flotation–HF and HCl leaching,was used ... To investigate the effect of chlorine roasting on the migration and removal of trace elements in quartz lattice,firstly,an efficient pretreatment process,grinding–HCl washing–flotation–HF and HCl leaching,was used to remove the gangue minerals in quartz ore to obtain purified quartz for the preparation of high-purity quartz and the investigation of lattice impurities migration.The results showed that the high-purity quartz with total impurities less than 50μg/g could be obtained from purified quartz after being treated with chlorine at 1200°C.The variation of crystal structure and the lattice impurities migration of quartz during chlorine roasting were studied through in-situ XRD,TGA,SEM-EDS,ICP-MS,FT-IR and XPS analysis.It revealed that the decomposable impurities H_(2)O,-OH,and residual collectors in the crystal of purified quartz could be effectively removed through chlorine roasting above 900°C,which also had an obvious effect on the removal of low-valence trace elements Li,Na and K in the crystal of quartz but didn't affect the multivalent trace elements Al and Ti.This study revealed the removal and migration mechanism of the trace elements in quartz crystal during chlorine roasting. 展开更多
关键词 QUARTZ Purification Chlorine roasting crystal structure Trace elements
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Effect of fermented polypeptide of Sacha Inchi(Plukenetia volubilis L.)on the structure of liquid crystal emulsion
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作者 Xiaochun Liu Tingting Luo +2 位作者 Jie Dai Laicheng Chen Qiuxing He 《日用化学工业(中英文)》 CAS 北大核心 2024年第12期1456-1464,共9页
In order to study the action mechanism of Sacha Inchi polypeptide in liquid crystal emulsion,oil-in-water liquid crystal emulsions with Sacha Inchi fermented polypeptide as the active component were prepared.The micro... In order to study the action mechanism of Sacha Inchi polypeptide in liquid crystal emulsion,oil-in-water liquid crystal emulsions with Sacha Inchi fermented polypeptide as the active component were prepared.The microstructures,particle sizes,stabilities,thermodynamic properties,and rheological properties of liquid crystal emulsions with different concentrations of the fermentation products were observed by Polarizing microscope,Particle size meter,Thermogravimetric differential thermal synchronous measurement system,and Rheometer,respectively.The results showed that the average particle size of fermented peptide liquid crystal emulsion was(25.7±2.8)μm,and the liquid crystal structure was complete and stable.The content of bound water and liquid crystal in the emulsion with 1%Sacha Inchi polypeptide were higher than those in the blank emulsion and the emulsions with 3%and 5%Sacha Inchi polypeptide.Rheological results indicated that the viscosity of liquid crystal emulsion with the change curve of shear rate registered the shear thinning phenomenon,which belongs to non-Newtonian fluid.The hysteresis area,energy storage modulus,and loss modulus of the 1%additive amount of liquid crystal emulsion were larger than those of the blank emulsion and the emulsions with 3%and 5%Sacha Inchi polypeptide,indicating greater thixotropy and stronger shear resistance.The hydrophilic amino acid residues of the peptide in the 1%additive amount of the emulsion were combined with the water phase,while the hydrophobic amino acid residues of the peptide entered the oil phase,which formed a viscoelastic film at the oil-water interface,so that the liquid crystal emulsion had a more stable gel network structure. 展开更多
关键词 Sacha Inchi polypeptide liquid crystal emulsion liquid crystal structure RHEOLOGY
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Effect of Fe_(2)O_(3)on the Structure,Physical Properties and Crystallization of CaO-Al_(2)O_(3)-SiO_(2)Glass
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作者 张峰 XIONG Dehua +7 位作者 谢俊 张继红 HAN Jianjun CHEN Dequan WEN Zhongquan FAN Zhenhua CHEN Lina SUN Tengfei 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第4期954-961,共8页
The calcium aluminosilicate-based glasses(CaO-Al_(2)O_(3)-SiO_(2),CAS)with different Fe_(2)O_(3)content(0.10wt%,0.50wt%,0.90wt%,and 1.30wt%)were prepared by traditional melt-quenching method.The glass network structur... The calcium aluminosilicate-based glasses(CaO-Al_(2)O_(3)-SiO_(2),CAS)with different Fe_(2)O_(3)content(0.10wt%,0.50wt%,0.90wt%,and 1.30wt%)were prepared by traditional melt-quenching method.The glass network structure,thermal and mechanical properties,and crystallization behavior changes were investigated by nuclear magnetic resonance spectrometer,Fourier-transform infrared spectro-photometer,X-ray diffractometer,differential scanning calorimetry and field emission scanning electron microscope measurements.The change of Q^(n)in glass structures reveals the glass network connectivity decreases due to the increasing content of Fe_(2)O_(3)addition,resulting in the increasing of non-bridging number in glass structure.The glass densities slightly rise from 2.644 to 2.681 g/cm^(3),while Vickers’s hardness increases at first,from 6.469 to 6.901 GPa,then slightly drops to 6.745 GPa,with Fe_(2)O_(3)content increase.There is almost no thermal expansion coefficient change from different Fe_(2)O_(3)content.The glass transmittance in visible range gradually decreases with higher Fe_(2)O_(3)content,resulting from the strong absorption of Fe^(2+)and Fe^(3+)ions.The calculated activation energy from thermal analysis results first decreases from 282.70 to 231.18 kJ/mol,and then increases to 244.02 kJ/mol,with the Fe_(2)O_(3)content increasing from 0.10wt%to 1.30wt%.Meanwhile,the maximum Avrami constant of 2.33 means the CAS glasses exhibit two-dimensional crystallization.All of the CAS glass-ceramics samples contain main crystal phase of anorthite,the microstructure appears lamellar and columnar crystals. 展开更多
关键词 calcium aluminosilicate glass network structure physical properties crystalLIZATION
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Cryo-EM combined with image deconvolution to determine ZIF-8 crystal structure
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作者 吴抗 杨柏松 +3 位作者 薛文华 孙大鹏 葛炳辉 王玉梅 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第7期44-49,共6页
Metal–organic frameworks(MOFs) are crystalline porous materials with tunable properties, exhibiting great potential in gas adsorption, separation and catalysis.[1,2]It is challenging to visualize MOFs with transmissi... Metal–organic frameworks(MOFs) are crystalline porous materials with tunable properties, exhibiting great potential in gas adsorption, separation and catalysis.[1,2]It is challenging to visualize MOFs with transmission electron microscopy(TEM) due to their inherent instability under electron beam irradiation. Here, we employ cryo-electron microscopy(cryoEM) to capture images of MOF ZIF-8, revealing inverted-space structural information at a resolution of up to about 1.7A and enhancing its critical electron dose to around 20 e^(-)/A^(2). In addition, it is confirmed by electron-beam irradiation experiments that the high voltage could effectively mitigate the radiolysis, and the structure of ZIF-8 is more stable along the [100] direction under electron beam irradiation. Meanwhile, since the high-resolution electron microscope images are modulated by contrast transfer function(CTF) and it is difficult to determine the positions corresponding to the atomic columns directly from the images. We employ image deconvolution to eliminate the impact of CTF and obtain the structural images of ZIF-8. As a result, the heavy atom Zn and the organic imidazole ring within the organic framework can be distinguished from structural images. 展开更多
关键词 cryo-electron microscopy(cryo-EM) ZIF-8 image deconvolution crystal structure determination
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Advances in Liquid Crystal Epoxy:Molecular Structures,Thermal Conductivity,and Promising Applications in Thermal Management
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作者 Wenying Zhou Yun Wang +6 位作者 Fanrong Kong Weiwei Peng Yandong Wang Mengxue Yuan Xiaopeng Han Xiangrong Liu Bo Li 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第4期315-343,共29页
Traditional heat conductive epoxy composites often fall short in meeting the escalating heat dissipation demands of large-power,high-frequency,and highvoltage insulating packaging applications,due to the challenge of ... Traditional heat conductive epoxy composites often fall short in meeting the escalating heat dissipation demands of large-power,high-frequency,and highvoltage insulating packaging applications,due to the challenge of achieving high thermal conductivity(k),desirable dielectric performance,and robust thermomechanical properties simultaneously.Liquid crystal epoxy(LCE)emerges as a unique epoxy,exhibiting inherently high k achieved through the self-assembly of mesogenic units into ordered structures.This characteristic enables liquid crystal epoxy to retain all the beneficial physical properties of pristine epoxy,while demonstrating a prominently enhanced k.As such,liquid crystal epoxy materials represent a promising solution for thermal management,with potential to tackle the critical issues and technical bottlenecks impeding the increasing miniaturization of microelectronic devices and electrical equipment.This article provides a comprehensive review on recent advances in liquid crystal epoxy,emphasizing the correlation between liquid crystal epoxy’s microscopic arrangement,organized mesoscopic domain,k,and relevant physical properties.The impacts of LC units and curing agents on the development of ordered structure are discussed,alongside the consequent effects on the k,dielectric,thermal,and other properties.External processing factors such as temperature and pressure and their influence on the formation and organization of structured domains are also evaluated.Finally,potential applications that could benefit from the emergence of liquid crystal epoxy are reviewed. 展开更多
关键词 intrinsically thermal conductive epoxy liquid crystal unit ordered structure phonon transport thermal conductivity
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Improvement of crystal structure and electrical performance of NASICON-type NaTi_(2)(PO_(4))_(3) solid electrolyte by doping Cr^(3+) ions
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作者 Cheng-jian WEN Zhi-wei LUO +3 位作者 Xin-yu LIU Ju-xia TONG Pan HE An-xian LU 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2024年第12期4020-4031,共12页
A series of Cr^(3+)-substituted Na_(1+x)Ti_(2−x)Cr_(x)P_(3)O_(12)(x=0.1,0.2,0.3,0.4,0.5,molar fraction)solid electrolytes were prepared by the solid-phase reaction method.The effects of Cr^(3+)ions on the phase compos... A series of Cr^(3+)-substituted Na_(1+x)Ti_(2−x)Cr_(x)P_(3)O_(12)(x=0.1,0.2,0.3,0.4,0.5,molar fraction)solid electrolytes were prepared by the solid-phase reaction method.The effects of Cr^(3+)ions on the phase composition,microstructure,and electrochemical ion conductivity of Na-based conductors were studied using X-ray powder diffraction,field emission scanning electron microscopy,and AC impedance measurement.The results show that the main crystal phase of NaTi_(2)(PO_(4))_(3) is formed in the solid electrolytes.The substitution of Ti4+sites by 15 at.%Cr^(3+)ions contributes to the enhancement of electrical conductivity,which is attributed to the combined effect of suppressing the formation of impurity phases,broadening ion channels,and improving the bonding degree of grains.Na_(1.3)Ti_(1.7)Cr_(0.3)P_(3)O_(12) electrolyte can obtain the best ionic conductivity of 6.13×10^(−6)S/cm at room temperature,which is 8 times that of the undoped NaTi_(2)(PO_(4))_(3) electrolyte. 展开更多
关键词 NaTi_(2)(PO_(4))_(3) solid electrolyte crystal structure ionic conductivity Cr-doping
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Electrical structure identification of deep shale gas reservoir in complex structural area using wide field electromagnetic method
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作者 Gu Zhi-Wen Li Yue-Gang +6 位作者 Yu Chang-Heng Zou Zhong-Ping Hu Ai-Guo Yin Xue-Bo Wang Qinag Ye Heng Tan Zhang-Kun 《Applied Geophysics》 SCIE CSCD 2024年第3期564-578,619,620,共17页
To fully exploit the technical advantages of the large-depth and high-precision artificial source electromagnetic method in the complex structure area of southern Sichuan and compensate for the shortcomings of the con... To fully exploit the technical advantages of the large-depth and high-precision artificial source electromagnetic method in the complex structure area of southern Sichuan and compensate for the shortcomings of the conventional electromagnetic method in exploration depth,precision,and accuracy,the large-depth and high-precision wide field electromagnetic method is applied to the complex structure test area of the Luochang syncline and Yuhe nose anticline in the southern Sichuan.The advantages of the wide field electromagnetic method in detecting deep,low-resistivity thin layers are demonstrated.First,on the basis of the analysis of physical property data,a geological–geoelectric model is established in the test area,and the wide field electromagnetic method is numerically simulated to analyze and evaluate the response characteristics of deep thin shale gas layers on wide field electromagnetic curves.Second,a wide field electromagnetic test is conducted in the complex structure area of southern Sichuan.After data processing and inversion imaging,apparent resistivity logging data are used for calibration to develop an apparent resistivity interpretation model suitable for the test area.On the basis of the results,the characteristics of the electrical structure change in the shallow longitudinal formation of 6 km are implemented,and the transverse electrical distribution characteristics of the deep shale gas layer are delineated.In the prediction area near the well,the subsequent data verification shows that the apparent resistivity obtained using the inversion of the wide field electromagnetic method is consistent with the trend of apparent resistivity revealed by logging,which proves that this method can effectively identify the weak response characteristics of deep shale gas formations in complex structural areas.This experiment,it is shown shows that the wide field electromagnetic method with a large depth and high precision can effectively characterize the electrical characteristics of deep,low-resistivity thin layers in complex structural areas,and a new set of low-cost evaluation technologies for shale gas target layers based on the wide field electromagnetic method is explored. 展开更多
关键词 complex tectonic area in southern Sichuan wide field electromagnetic method deep exploration shale gas reservoir electrical structure
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