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Preparation,Single-crystal Structure and Antibacterial Activity of N-((6-Bromine-2-methoxylquinoline-3-yl)benzyl)-3-morpho-line-N-(naphthalene-1-yl)propionamide 被引量:1
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作者 蔡志强 李姗蓉 孙铁民 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第5期796-800,共5页
The halogenated hydrocarbon amination reaction between the original raw mate-rial N-((6-bromine-2-methoxylquinoline-3-yl)benzyl)-3-chlorine-N-(naphthalene-1-yl)propionamide and morpholine produces the target mol... The halogenated hydrocarbon amination reaction between the original raw mate-rial N-((6-bromine-2-methoxylquinoline-3-yl)benzyl)-3-chlorine-N-(naphthalene-1-yl)propionamide and morpholine produces the target molecule N-((6-bromine-2-methoxylquinoline-3-yl)benzyl)-3-morpholine-N-(naphthalene-1-yl)propionamide (C34H32BrN3O3,Mr=610.54),and its structure was characterized by 1H NMR,IR,H RMS and X-ray single-crystal diffraction.This crystal is of triclinic system,space group P1 with a=9.315(2),b=10.3449(12),c=15.901(3),α=80.981(14),β=76.996(17),γ=74.917(13)°,V=1433.6(5)3,Z=2,Dc=1.414 g/cm3,F(000)= 632,μ(MoKα)=1.47 mm-1,the final R=0.0735 and wR=0.2457.In total,5585 independent reflections including 3727 observed ones with I 〉 2σ(I) were collected.The dihedral angle between naphthyl and substituted quinolyl and that between phenyl and substituted quinolyl are 61.2(1) and 108.2(1)°,respectively.Through C-H…O and C-H…N hydrogen bonds among molecules,the whole molecule is stacked into a three-dimensional structure.In addition,π-π stacking among adjacent naphthalene rings makes the molecule more stable,and the morpholine ring adopts a chair conformation.The target molecule exhibits good antibacterial activity. 展开更多
关键词 synthesis crystal structure QUINOLINE antibacterial activity
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Single-crystal Structure of ScAlMgO_4 被引量:1
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作者 周海涛 梁宇 +2 位作者 黄万霞 叶宁 邹宇琦 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2009年第8期947-950,共4页
Crystals of scandium magnesium aluminate, ScAlMgO4, were grown from the melt prepared from stoichiometric quantities of Sc2O3, Al2O3 and MgO. Single-crystal X-ray diffraction indicates that ScAlMgO4 crystallizes in th... Crystals of scandium magnesium aluminate, ScAlMgO4, were grown from the melt prepared from stoichiometric quantities of Sc2O3, Al2O3 and MgO. Single-crystal X-ray diffraction indicates that ScAlMgO4 crystallizes in the space group R3 m with a = b = 3.2506(9) A, c = 25.152(8)A, V= 230.16(11)A^3, Z= 3, F(000) = 234,μ = 2.424 cm^-1, the final R = 0.0381 and wR = 0.1061 for 1874 observed reflections with I 〉 2σ(I). In ScAlMgO4, all Sc atoms are coordinated octahedrally, whereas AI or Mg atoms are forming a tetrahedron, or in a triangular bipyramid if one distant O atom is included. The structure of ScAlMgO4 is characterized by { [AlMgO4]^3-}∞^2 layers parallel to the ab plane, and they are further connected into a 3-dimen-sional framework by Sc atoms via O(1) atoms between the layers. 展开更多
关键词 scandium magnesium aluminate Czochralski method crystal structure
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Syntheses and Single-crystal Structures of New Deficient Compounds in the R_6B_2C_2Q_(14)Family
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作者 刘彬文 曾卉一 +3 位作者 赵中燕 郑发鲲 郭国聪 黄锦顺 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第10期1537-1543,共7页
Four new deficient compounds in the R6B2C2QI4 family, LasCaSn2.75S4 1, Y6A10.67Ge2S14 2, Er5.33Si4S14 3 and Er4Ge4SI4 4, have been obtained via a precursor/flux method. Single-crystal analysis indicated that their cry... Four new deficient compounds in the R6B2C2QI4 family, LasCaSn2.75S4 1, Y6A10.67Ge2S14 2, Er5.33Si4S14 3 and Er4Ge4SI4 4, have been obtained via a precursor/flux method. Single-crystal analysis indicated that their crystal structures consist of three types of building blocks: RS7 (R = La/Ca for 1, R = Y for 2, R = Er for 3 and 4) mono-triangonal prism, CS6 (C = A1 for 1, C = Sn(2) for 2, C = Si(2) for 3, C = Ge(2) for 4) octahedron, and BS4 (B = Si for 1, B = Sn(1) for 2, B = Si(1) for 3, B = Ge(1) for 4) tetrahedron, as any other compounds belong to the R6B2C2Q14 family. 展开更多
关键词 RARE-EARTH NONCENTROSYMMETRIC crystal structure SULFIDE
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Syntheses and Single-crystal Structures of Ln_3Sn_(0.25)GeS_7 (Ln=La,Sm)
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作者 赵中燕 刘彬文 +4 位作者 曾卉一 姜小明 张明建 郑发鲲 郭国聪 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第8期1135-1139,共5页
Two new quaternary sulfides,La3Sn0.25GeS71 and Sm3 Sn0.25GeS72,have been synthesized by a facile solid-state reaction,and their crystal structures were determined by singlecrystal X-ray diffraction analysis.The two co... Two new quaternary sulfides,La3Sn0.25GeS71 and Sm3 Sn0.25GeS72,have been synthesized by a facile solid-state reaction,and their crystal structures were determined by singlecrystal X-ray diffraction analysis.The two compounds crystallize in the P6 3 space group,and the crystal data are as follows-La3Sn0.25GeS7:a=10.3335(7),c=5.8455(7),Z=2;Sm3Sn0.25GeS7:a=9.999(3),c=5.787(2),Z=2.Single-crystal analysis indicated that the two compounds consist of three types of building blocks:LnS 8 anti-tetragonal prism,SnS 6 octahedron,and GeS 4 tetrahedron. 展开更多
关键词 RARE-EARTH NON-CENTROSYMMETRIC crystal structure SULFIDE
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Synthesis, Single-crystal Structure and Fluorescence Property of a New Boron Compound Based on 2-(2'-hydroxyphenyl)-1H-benzimidazole
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作者 尹国杰 楚希杰 +3 位作者 张涛 毛海舫 王朝阳 阳勇福 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第12期1994-2002,1847,共10页
A new boron compound [C27H21BN4O3] based on 2-(2?-hydroxyphenyl)-1 Hbenzimidazole has been synthesized and characterized by single-crystal X-ray diffraction, and its crystal crystallizes in the monoclinic system, spac... A new boron compound [C27H21BN4O3] based on 2-(2?-hydroxyphenyl)-1 Hbenzimidazole has been synthesized and characterized by single-crystal X-ray diffraction, and its crystal crystallizes in the monoclinic system, space group P21/n with a = 9.6544(5), b = 14.1558(8), c = 16.4314(9) ?, β = 97.730°, Mr = 460.29, V = 2225.2(2) ?~3, Z = 4, Dc = 1.374 g/cm~3, μ = 0.74 mm-1, S = 1.051, F(000) = 960, the final R = 0.0643 and w R = 0.1569 for 2233 observed reflections(I > 2σ(I)). The title compound is a B(III) center mononuclear molecule in the asymmetric unit. The typical structural characteristic of the title compound is the methanol group adopting a μ2-bridging mode to link two different adjacent chelating modes though two types of hydrogen bonds to form a one-dimensional supramolecular structure. Additionally, aromatic π-π stacking interactions between adjacent benzimidazolyl groups lead to a three-dimensional network. Furthermore, the stability and fluorescence property revealed the potential applications in the organic photoelectric material. 展开更多
关键词 SYNTHESIS crystal structure STABILITY fluorescence property
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Syntheses and Single-crystal Structures of Er_3Ge_xGeS_7 (1/4≤x≤1/2)
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作者 曾卉一 郭胜平 +1 位作者 郑发鲲 郭国聪 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2009年第10期1205-1209,共5页
As part of our systematic research on the acentric rare earth chalcogenides, the ErAlGeS5/KBr, Er3AgGeS7/KBr and Er6Ge3S14/KBr systems were investigated and three compounds belonging to the R6B2C2Q14 (R = rare earth,... As part of our systematic research on the acentric rare earth chalcogenides, the ErAlGeS5/KBr, Er3AgGeS7/KBr and Er6Ge3S14/KBr systems were investigated and three compounds belonging to the R6B2C2Q14 (R = rare earth, B = 6-coordinated element, C = 4-coordinated element, Q = S and Se) family were identified. These compounds crystallize in the P63 space group, and the crystal data are as follows: Er3Ge1/4GeS7, a = 9.6480(14), c = 5.7920(12) A^°, Z = 2; Er3Ge0.382(8)GeS7, a = 9.6360(14), c = 5.8460(12) A^°, Z = 2; Er3Ge1/2GeS7, a = 9.6061(13), c = 5.8346(18)A^°, Z = 2. Single-crystal analysis indicated that the Er3GexGeS7 (x = 1/4, 0.382(8), 1/2) structures consist of three types of building blocks: ErS7, GeS4 and GeS6 units. Er3MxGeS7 are deficient compounds with the B sites occupied partly by Ge(Ⅳ) and/or Ge(Ⅱ). 展开更多
关键词 rare-earth ehaleogenides aeentrie crystal structure DEFICIENT
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Synthesis, Single-crystal Structure, and Optical and Magnetic Properties of CaEr_2S_4
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作者 ZENG Hui-Yi Mattausch Hansjtirgen +3 位作者 ZHENG Fa-Kun DONG Zhen-Chao GUO Guo-Cong HUANG Jin-Shun 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2007年第8期973-979,共7页
Brown needle-like crystals of CaEr2S4 were isolated as the major product from a reaction of elements and binary sulfides by a two-step flux technique. CaEr2S4 crystallizes in the orthorhombic space group Pnma with a=1... Brown needle-like crystals of CaEr2S4 were isolated as the major product from a reaction of elements and binary sulfides by a two-step flux technique. CaEr2S4 crystallizes in the orthorhombic space group Pnma with a=12.845(4), b=3.862(4), c=13.001(2)(A), V=645.0(7)(A)3,Z=4, F(000)=880,μ(MoKα)=27.794 mm^-1, the final R=0.0528 and wR=0.0562 for 1070observed reflections with I 〉 3σ(I). The CaEr2S4 structure forms a three-dimensional framework that consists of interconnected tetra-octahedral Er4S18 fragments. Ca^2+cations, in a monocapped trigonal prism geometry, are stuffed in two parallel rows into the one-dimensional channels along the b direction. CaEr2S4 is an infrared-transparent semiconductor with a band gap of 1.81 eV. Magnetic susceptibility measurements over 6~300 K indicate a Curie-Weiss paramagnetic behavior for the phase, with an effective magnetic moment of 9.64(1) μB per Er^3+ ion. 展开更多
关键词 rare-earth chalcogenides flux crystal growth crystal structure optical and magnetic properties
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Synthesis and Single-crystal Structure of a Silver(Ⅰ) Carboxyarylphosphonate: [Ag(H_2BCP)(4,4'-bipy)]·2H_2O
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作者 雷然 张汉辉 +5 位作者 胡进 柴小川 张帅 李创新 陈义平 孙艳琼 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第4期655-659,共5页
The title compound, a novel Ag(Ⅰ) carboxyarylphosphonate [Ag(H2BCP)(4,4'- bipy)]·2H2O (H3BCP = p-H2O3PCH2C6H4COOH, 4,4'-bipy = 4,4'-bipyridine), was synthesized by a hydrothermal reaction and characte... The title compound, a novel Ag(Ⅰ) carboxyarylphosphonate [Ag(H2BCP)(4,4'- bipy)]·2H2O (H3BCP = p-H2O3PCH2C6H4COOH, 4,4'-bipy = 4,4'-bipyridine), was synthesized by a hydrothermal reaction and characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. It belongs to monoclinic system, space group P21/c with a = 5.7038(11), b = 22.397(4), c = 5.602(4) , β = 106.26(3)°, V = 1913.4(7) 3, Z = 4, C18H20N2O7PAg, Mr = 515.20, Dc = 1.788 g/cm3, μ = 1.182 mm–1, F(000) = 1040, the final R = 0.0404 and wR = 0.1216 for 4178 observed reflections with I 2σ(Ⅰ). In the structure, the Ag(Ⅰ) cations are bridged by 4,4'-bipy to give rise to 1D chains running along the b axis. These chains are linked further by the interactions of O (from BCP ligands) and Ag atoms to yield 2D layers. Hydrogen bonding interactions and weak π-π stacking interactions between 4,4'-bipy rings assemble such adjacent layers to generate a 3D supramolecular architecture. 展开更多
关键词 metal carboxyarylphosphonate Ag(Ⅰ) complex crystal structure
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Synthesis and Single-crystal Structure of a One-dimensional Zinc(Ⅱ) Phosphonate: [Zn_3(PhPO_3)_2(PhPO_3H)_2(Phen)_2]_n
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作者 曹彦宁 张汉辉 +5 位作者 黄长沧 张凤利 陈义平 张帅 张春刚 胡进 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2009年第1期37-40,共4页
A new Zn(II) phosphonate complex, [Zn3(PhPO3)2(PhPO3H)2(Phen)2]n (Phen = 1,10-phenanthroline), has been synthesized and structurally determined by X-ray single-crystal diffraction. The complex crystallizes i... A new Zn(II) phosphonate complex, [Zn3(PhPO3)2(PhPO3H)2(Phen)2]n (Phen = 1,10-phenanthroline), has been synthesized and structurally determined by X-ray single-crystal diffraction. The complex crystallizes in the monoclinic system, space group C2/c with a = 14.997(3), b = 18.108(4), c = 17.237(3) A, β = 96.61(3)°, V = 4649.9(16) A3, Z = 4, C48H38N4O12P4Zn3, Mr = 1182.87, Dc = 1.690 g/cm3^,μ = 1.743 mm^-1, F(000) = 2400, the final R = 0.0363 and wR = 0.0963. In the structure, the connectivity between two 5-coordinated Zn(II) atoms and four phosphonates as well as two Phen ligands form a Zn2(PhPO3H)2(PhPO3)2(Phen)2 unit, and such a neighboring unit is bridged by 4-coordinated Zn(II) to give rise to a 1D chain along the c axis. The π-π stacking interactions between Phen rings assemble adjacent chains packed together to form a 3D supermolecular architecture. 展开更多
关键词 metal phosphonate phenylphosphonic acid Zn(Ⅱ) complex inorganic-organic hybrid compounds crystal structure
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Syntheses of Two Chiral Clusters [η~5-C_5H_4C(NR)CH_3]- RuNiM(CO)_5(μ_3-S) (R =NH-C_6H_3-2,4-(NO_2)_2,M=Mo,3;M=W,4) and the Single-crystal Structure of Cluster 3
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作者 边治国 陈玉岗 +1 位作者 殷元骐 李庆山 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2003年第3期301-304,共4页
The new chiral clusters [h5-C5H4C(NR)CH3]RuNiM(CO)5(m3-S) (R = NH-C6H3-2,4- (NO2)2, M = Mo, 3; M = W, 4) were synthesized and the structure of cluster 3 was determined by single-crystal X-ray analysis. Crystal data: C... The new chiral clusters [h5-C5H4C(NR)CH3]RuNiM(CO)5(m3-S) (R = NH-C6H3-2,4- (NO2)2, M = Mo, 3; M = W, 4) were synthesized and the structure of cluster 3 was determined by single-crystal X-ray analysis. Crystal data: C23H16O9N4MoNiRuS, Mr = 780.18, orthorhombic, space group Pbca with the following crystallographic parameters: a = 13.207(4), b = 16.036(5), c = 25.513(8) , Z = 8, V = 5403(3) 3, Dc = 1.918 g/cm3, m = 1.834 mm-1 and F(000) = 3072. The final R = 0.0512 and wR = 0.1132 for 2525 reflections with I > 2.00s(I). 展开更多
关键词 synthesis CHIRAL CLUSTER crystal structure
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Synthesis,Single-crystal Structure,and Computational Studies of a Yavapaiite Structure Compound:Pb(Sb0.5Fe0.5)(PO4)2
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作者 张炜龙 陈达贵 +3 位作者 李小燕 郭振刚 林晨升 余运龙 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第1期75-82,共8页
The single crystals and powder of a Yavapaiite Structure phosphate,namely,PbSb0.5Fe0.5(PO4)2,were synthesized by solid state method and characterized by X-ray single-crystal diffraction and powder diffraction.The ti... The single crystals and powder of a Yavapaiite Structure phosphate,namely,PbSb0.5Fe0.5(PO4)2,were synthesized by solid state method and characterized by X-ray single-crystal diffraction and powder diffraction.The title compound crystallizes in the monoclinic system,space group C2/c(No.15) with a = 16.716(4),b = 5.186(7),c = 8.130(2)A,β = 114.93(6)°,Z = 4,R(I 〉 2s(I)) = 0.0430,R indices(all data) = 0.0460,and T = 293(2) K.The title compound belongs to the Yavapaiite Structure A^(Ⅱ)M^(Ⅳ)(PO4)2 compounds,and the Sb1 atom and Fe1 atoms occupy the same site(M) and their occupancy factors are refined to be 0.5 and 0.5 having a sum occupancy factor of 1.0.Its structure consists of [M(PO)4]n^2n- layers running parallel to the(b,c) plane built up of cornerconnected MO6 octahedra and PO4 tetrahedra.Additionally,the calculations of energy band structure,and density of states have been performed with the density functional theory method.The studies of computational calculation and UV experimental results show that the new compound is an indirect band-gap insulator. 展开更多
关键词 phosphates solid-state syntheses single crystal yavapaiite structure computational calculation
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Phase Transformation on Chemically Corroded Surface of a Single-Crystal Superalloy During In-Situ Tension at Elevated Temperatures
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作者 Wang Rui Li Jiarong +2 位作者 Yue Xiaodai Zhao Jinqian Yang Wanpeng 《稀有金属材料与工程》 北大核心 2026年第3期595-601,共7页
In-situ tensile tests were conducted on a chemically corroded third-generation single-crystal superalloy DD9 at 980 and 1100℃.The phase transformation in the surface areas during the tensile process was analyzed usin... In-situ tensile tests were conducted on a chemically corroded third-generation single-crystal superalloy DD9 at 980 and 1100℃.The phase transformation in the surface areas during the tensile process was analyzed using field emission scanning electron microscope,energy dispersive X-ray spectroscope,electron probe X-ray microanalysis,and transmission electron microscope.The phase transformation mechanism on the surface and the influence mechanism were studied through observation and dynamic calculation.During tensile tests at elevated temperatures,chemical corrosion promotes the precipitation of topologically close-packed(tcp)μphase andσphase on the alloy surface.Both the precipitation amount and size of these two phases on the surface at 1100℃are greater than those at 980℃.The precipitation of tcp phase on the alloy surface results in the formation of an influence layer on the surface area,and the distribution characteristics of alloying elements are significantly different from those of the substrate.The depth of the influence layer at 1100℃is greater than that at 980℃.The precipitation of tcp phase prompts the phase transition fromγphase toγ′phase around the tcp phase. 展开更多
关键词 single-crystal superalloy in-situ tension tcp phase phase transformation alloying element
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Crystal structure,thermal analysis,and luminescence properties of six heterocyclic lanthanide complexes
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作者 SONG Zihe ZHAO Jinjin +1 位作者 REN Ning ZHANG Jianjun 《无机化学学报》 北大核心 2026年第1期181-192,共12页
Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'... Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'-bipyridine]were successfully synthesized by the volatilization of the solution at room temperature.The crystal structures of six complexes were determined by single-crystal X-ray diffraction technology.The results showed that the complexes all have a binuclear structure,and the structures contain free ethanol molecules.Moreover,the coordination number of the central metal of each structural unit is eight.Adjacent structural units interact with each other through hydrogen bonds and further expand to form 1D chain-like and 2D planar structures.After conducting a systematic study on the luminescence properties of complexes 1-4,their emission and excitation spectra were obtained.Experimental results indicated that the fluorescence lifetimes of complexes 2 and 3 were 0.807 and 0.845 ms,respectively.The emission spectral data of complexes 1-4 were imported into the CIE chromaticity coordinate system,and their corre sponding luminescent regions cover the yellow light,red light,green light,and orange-red light bands,respectively.Within the temperature range of 299.15-1300 K,the thermal decomposition processes of the six complexes were comprehensively analyzed by using TG-DSC/FTIR/MS technology.The hypothesis of the gradual loss of ligand groups during the decomposition process was verified by detecting the escaped gas,3D infrared spectroscopy,and ion fragment information detected by mass spectrometry.The specific decomposition path is as follows:firstly,free ethanol molecules and neutral ligands are removed,and finally,acidic ligands are released;the final product is the corresponding metal oxide.CCDC:2430420,1;2430422,2;2430419,3;2430424,4;2430421,5;2430423,6. 展开更多
关键词 lanthanide complexes fluorescence property crystal structure thermal analysis
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Discovery of a Novel Ginseng Polysaccharide:Structure Characterization,in vitro Fermentability and Anti-oxidative Mechanism of Fermented Product via the Nrf2/HO-1 Pathway on Aβ-induced-PC 12 Cells
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作者 DONG Binbin HOU Zong +3 位作者 ZHENG Zhong XING Junpeng LIU Zhiqiang LIU Shu 《高等学校化学学报》 北大核心 2026年第1期173-189,共17页
In this study,a novel polysaccharide GPA-G 2-H was derived from ginseng.Furthermore,the coherent study of its structural characteristics,fermented characteristics in vitro,as well as antioxidant mechanism of fermented... In this study,a novel polysaccharide GPA-G 2-H was derived from ginseng.Furthermore,the coherent study of its structural characteristics,fermented characteristics in vitro,as well as antioxidant mechanism of fermented product FGPA-G 2-H on Aβ25-35-induced PC 12 cells were explored.The structure of GPA-G 2-H was determined by means of zeta potential analysis,FTIR,HPLC,XRD,GC-MS and NMR.The backbone of GPA-G 2-H was mainly composed of→4)-α-D-Glcp-(1→with branches substituted at O-3.Notably,GPA-G 2-H was degraded by intestinal microbiota in vitro with total sugar content and pH value decreasing,and short-chain fatty acids(SCFAs)increasing.Moreover,GPA-G 2-H significantly promoted the proliferation of Lactobacillus,Muribaculaceae and Weissella,thereby making positive alterations in intestinal microbiota composition.Additionally,FGPA-G 2-H activated the Nrf 2/HO-1 signaling pathway,enhanced HO-1,NQO 1,SOD and GSH-Px,while inhabited Keap 1,MDA and LDH,which alleviated Aβ-induced oxidative stress in PC 12 cells.These provide a solid theoretical basis for the further development of ginseng polysaccharides as functional food and antioxidant drugs. 展开更多
关键词 Ginseng polysaccharide structural characterization Intestinal microbiota FERMENTABILITY Oxidative stress
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Monolithic Integration of Redox-Stable Sn-Pb Halide Perovskite Single-Crystalline Films for Durable Near-Infrared Photodetection
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作者 Rajendra Kumar Gunasekaran Jihoon Nam +9 位作者 Myeong-geun Choi Won Chang Choi Sunwoo Kim Doyun Im Yeonghun Yun Yun Hwa Hong Sang Hyeok Ryou Hyungwoo Lee Kwang Heo Sangwook Lee 《Nano-Micro Letters》 2026年第5期1-14,共14页
Tin-lead(Sn-Pb)halide perovskite single crystals combine narrow bandgaps,long carrier diffusion lengths,and low trap densities,positioning them as ideal candidates for near-infrared(NIR)optoelectronics.However,convent... Tin-lead(Sn-Pb)halide perovskite single crystals combine narrow bandgaps,long carrier diffusion lengths,and low trap densities,positioning them as ideal candidates for near-infrared(NIR)optoelectronics.However,conventional growth strategies rely on bulk crystallization at elevated temperatures,leading to uncontrolled nucleation,Sn^(2+)oxidation,and poor compatibility with planar integration.Here,we develop a coordination-engineered crystallization strategy that enables direct,lowtemperature growth of micrometer-thick Sn-Pb single-crystal thin films on device-compatible substrates.By modulating metal-solvent coordination strength using a low-donor number cosolvent system,we delineate a narrow processing window that stabilizes precursor speciation,lowers the nucleation barrier,and guides directional crystal growth under mild thermal conditions(<40℃).The resulting crystal films exhibit smooth morphology,high crystallinity,compositional uniformity,and ultralow trap densities(~3.98×10^(12)cm^(-3)).When integrated into NIR photodetectors,these films deliver high responsivity(0.51 A W^(-1)at 900 nm),specific detectivity up to 3.6×10^(12)Jones,fast response(~188μs),and>25,000 cycles of ambient operational stability.This approach establishes a scalable platform for redox-stable,low-temperature growth of Sn-Pb perovskite crystal films and expands the processing-structure-function landscape for next-generation infrared optoelectronics. 展开更多
关键词 Tin-lead perovskite Near-infrared photodetectors single-crystal thin films Coordination chemistry Low-temperature crystallization
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A novel Angle-Constrained Optimization method of Conformal Lattice Structures
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作者 Jun Yan Weibin Xu +2 位作者 Fuhao Wang Sixu Huo Kun Yan 《Computer Modeling in Engineering & Sciences》 2026年第2期269-295,共27页
Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimizat... Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimization method grounded in the global adjustment of nodal coordinates.First,a build direction is selected to minimize the number of violating struts.Then,an angular-constraint matrix is assembled from strut direction vectors,and analytical sensitivities with respect to nodal coordinates are derived to enable efficient constrained optimization under nonlinear angular inequality constraints.Numerical studies on two complex curved-surface lattices demonstrate that all overhang violations are eliminated while only minor changes are induced in global stiffness and strength.In particular,the maximum displacement of an ergonomic insole varies by only 2.87%after optimization.The results confirm the method’s versatility and engineering robustness,providing a practical approach for additive manufacturing-oriented lattice structure design. 展开更多
关键词 Conformal lattice structures additive manufacturing structural optimization complex structures
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Multi-objective topology optimization for cutout design in deployable composite thin-walled structures
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作者 Hao JIN Ning AN +3 位作者 Qilong JIA Chun SHAO Xiaofei MA Jinxiong ZHOU 《Chinese Journal of Aeronautics》 2026年第1期674-694,共21页
Deployable Composite Thin-Walled Structures(DCTWS)are widely used in space applications due to their ability to compactly fold and self-deploy in orbit,enabled by cutouts.Cutout design is crucial for balancing structu... Deployable Composite Thin-Walled Structures(DCTWS)are widely used in space applications due to their ability to compactly fold and self-deploy in orbit,enabled by cutouts.Cutout design is crucial for balancing structural rigidity and flexibility,ensuring material integrity during large deformations,and providing adequate load-bearing capacity and stability once deployed.Most research has focused on optimizing cutout size and shape,while topology optimization offers a broader design space.However,the anisotropic properties of woven composite laminates,complex failure criteria,and multi-performance optimization needs have limited the exploration of topology optimization in this field.This work derives the sensitivities of bending stiffness,critical buckling load,and the failure index of woven composite materials with respect to element density,and formulates both single-objective and multi-objective topology optimization models using a linear weighted aggregation approach.The developed method was integrated with the commercial finite element software ABAQUS via a Python script,allowing efficient application to cutout design in various DCTWS configurations to maximize bending stiffness and critical buckling load under material failure constraints.Optimization of a classical tubular hinge resulted in improvements of 107.7%in bending stiffness and 420.5%in critical buckling load compared to level-set topology optimization results reported in the literature,validating the effectiveness of the approach.To facilitate future research and encourage the broader adoption of topology optimization techniques in DCTWS design,the source code for this work is made publicly available via a Git Hub link:https://github.com/jinhao-ok1/Topo-for-DCTWS.git. 展开更多
关键词 Composite laminates Deployable structures Multi-objective optimization Thin-walled structures Topology optimization
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Energy absorption behavior of mild steel tube-core sandwich structures for rockfall protection
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作者 HUANG Fuyou ZHANG Luqing +3 位作者 ZHOU Jian HAN Zhenhua WANG Song SUN Qihao 《Journal of Mountain Science》 2026年第1期171-187,共17页
Sandwich structures are widely favored for their lightweight,high strength and superior impact mitigation capabilities in blast mitigation and transportation safety applications.Their application in large-scale,high-e... Sandwich structures are widely favored for their lightweight,high strength and superior impact mitigation capabilities in blast mitigation and transportation safety applications.Their application in large-scale,high-energy rockfall protection remains limited due to their relatively low volumetric energy absorption efficiency and the complex fabrication processes of key energy-absorbing components.To address these limitations,this study proposes a novel sandwich structure incorporating mild steel tubes as core energy absorbers to efficiently mitigate highenergy rockfall impacts.A finite element model was developed in LS-DYNA to systematically investigate the deformation and energy absorption behaviors.Comprehensive parametric analyses were conducted to quantify the effects of key design variables,including tube wall thickness,tube spacing(number of tubes),and infill materials.The results demonstrate that increasing tube wall thickness significantly enhances ultimate energy absorption,with 12-mm-thick tubes absorbing 2.2 times more energy than 6-mm-thick tubes.Lateral constraints induced by adjacent tubes improve specific energy absorption per unit displacement by approximately 30%-45%.Furthermore,incorporating infill materials considerably enhances energy absorption,with aluminum foam infills achieving an 81%increase compared to empty tubes.Nevertheless,higher energy absorption capacity typically leads to greater peak impact forces,increasing the number of tubes offers a better balance between energy absorption and impact force,optimizing the structural performance.These findings provide valuable theoretical insights and practical guidelines for designing sandwich structures in civil and infrastructure engineering applications for effective rockfall protection. 展开更多
关键词 Sandwich structure Mild steel tube Rockfall impact Energy absorption structural optimization
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Energy absorption characteristics of additively manufactured sea sponge-inspired lattice structures under low-velocity impact loading
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作者 J Jefferson Andrew Jabir Ubaid +4 位作者 Mohammed Ayaz Uddin Omar Waqas Saadi Kamran Ahmed Khan Rehan Umer Andreas Schiffer 《Defence Technology(防务技术)》 2026年第1期118-129,共12页
Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-ins... Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-inspired lattice structures feature a square-grid 2D lattice with double diagonal bracings and are additively manufactured via digital light processing(DLP).The collapse strength and energy absorption capacity of sea sponge lattice structures are evaluated under various impact conditions and are compared to those of their constituent square-grid and double diagonal lattices.This study demonstrates that sea sponge lattices can achieve an 11-fold increase in energy absorption compared to the square-grid lattice,due to the stabilizing effect of the double diagonal bracings prompting the structure to collapse layer-bylayer under impact.By adjusting the thickness ratio in the sea sponge lattice,up to 76.7%increment in energy absorption is attained.It is also shown that sea-sponge lattices outperform well-established energy-absorbing materials of equal weight,such as hexagonal honeycombs,confirming their significant potential for impact mitigation.Additionally,this research highlights the enhancements in energy absorption achieved by adding a small amount(0.015 phr)of Multi-Walled Carbon Nanotubes(MWCNTs)to the photocurable resin,thus unlocking new possibilities for the design of innovative lightweight structures with multifunctional attributes. 展开更多
关键词 Sea sponge-inspired lattice structures Additive manufacturing Energy absorption Low-velocity impact Lattice structure NANOCOMPOSITE
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Mechanism of enhancing NH_(3)-SCR performance of Mn-Ce/AC catalyst by the structure regulation of activated carbon with calcite in coal
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作者 NIU Jian LI Yuhang +4 位作者 BAI Baofeng WEN Chaolu LI Linbo ZHANG Huirong GUO Shaoqing 《燃料化学学报(中英文)》 北大核心 2026年第1期69-79,共11页
To elucidate the effect of calcite-regulated activated carbon(AC)structure on low-temperature denitrification performance of SCR catalysts,this work prepared a series of Mn-Ce/De-AC-xCaCO_(3)(x is the calcite content ... To elucidate the effect of calcite-regulated activated carbon(AC)structure on low-temperature denitrification performance of SCR catalysts,this work prepared a series of Mn-Ce/De-AC-xCaCO_(3)(x is the calcite content in coal)catalysts were prepared by the incipient wetness impregnation method,followed by acid washing to remove calcium-containing minerals.Comprehensive characterization and low-temperature denitrification tests revealed that calcite-induced structural modulation of coal-derived AC significantly enhances catalytic activity.Specifically,NO conversion increased from 88.3%of Mn-Ce/De-AC to 91.7%of Mn-Ce/De-AC-1CaCO_(3)(210℃).The improved SCR denitrification activity results from the enhancement of physicochemical properties including higher Mn^(4+)content and Ce^(4+)/Ce^(3+)ratio,an abundance of chemisorbed oxygen and acidic sites,which could strengthen the SCR reaction pathways(richer NH_(3)activated species and bidentate nitrate active species).Therefore,NO removal is enhanced. 展开更多
关键词 CALCITE activated carbon structure Mn-Ce/AC catalyst NH_(3)-SCR performance
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