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
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
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
For the magnetized complex plasma,dependences of modified Yukawa potential on the gov-erning parameters,viz.,mass ratio md/mi,number ratio nd/ne0,charge magnitude Q/e,and temperature ratio Te/Ti are investigated.It is...For the magnetized complex plasma,dependences of modified Yukawa potential on the gov-erning parameters,viz.,mass ratio md/mi,number ratio nd/ne0,charge magnitude Q/e,and temperature ratio Te/Ti are investigated.It is found that md/mi,nd/ne0 and Q/e contribute to the coupling strength of the system,and Te/Ti contributes to the shielding cloud surrounding the charged dust particles.Further analysis shows that the modified Yukawa potential depends on Te/Ti.The consequent structure changes of the system are discussed based on the Langevin dynamics simulation.It is found that the variation of Ham-iltonian contributes to the equilibrium structure of the system.展开更多
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
Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene...Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene]-2-hydroxyacetohydrazide,H_(2)L_(2)=(E)-N'-(5-bromo-2-hydroxy-3-methoxybenzylidene)nicotinohydrazide,Hdbm=dibenzoylmethane,have been constructed by adopting the solvothermal method.Structural characterization unveils that both complexes 1 and 2 are constituted by two Gd^(3+)ions,two dbm-ions,two CH_(3)OH molecules,and two polydentate Schiff-base ligands(HL_(1)^(2-)or L_(2)^(2-)).In addition,complex 1 contains four free methanol molecules,whereas complex 2 harbors two free methanol molecules.By investigating the interactions between complexes 1 and 2 and four types of bacteria(Bacillus subtilis,Escherichia coli,Staphylococcus aureus,Candida albicans),it was found that both complexes 1 and 2 exhibited potent antibacte-rial activities.The interaction mechanisms between the ligands H_(3)L_(1),H_(2)L_(2),complexes 1 and 2,and calf thymus DNA(CT-DNA)were studied using ultraviolet-visible spectroscopy,fluorescence titration,and cyclic voltammetry.The results demonstrated that both complexes 1 and 2 can intercalate into CT-DNA molecules,thereby inhibiting bacterial proliferation to achieve the antibacterial effects.CCDC:2401116,1;2401117,2.展开更多
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
Four types of Mg-5Zn porous scaffolds with different pore geometries,including body-centered cubic(bcc),the rhombic dodecahedron(RD),gyroid(G),and primitive(P)types,were designed and fabricated using selective laser m...Four types of Mg-5Zn porous scaffolds with different pore geometries,including body-centered cubic(bcc),the rhombic dodecahedron(RD),gyroid(G),and primitive(P)types,were designed and fabricated using selective laser melting.Their forming quality,compression mechanical properties,and degradation behavior were investigated.Results indicate that the fabricated scaffolds exhibit good dimensional accuracy,and the surface chemical polishing treatment significantly improves the forming quality and reduces porosity error in porous scaffolds.Compared to the ones with rod structures(bcc,RD),the scaffolds with surface structures(G,P)have less powder particle adhesion.The G porous scaffold exhibits the best forming quality for the same design porosity.The predominant failure mode of scaffolds during compression is a 45°shear fracture.At a porosity of 75%,the compression property of all scaffolds meets the compressive property requirements of cancellous bone,while bcc and G structures show relatively better compression property.After immersion in Hank's solution for 168 h,the B-2-75% pore structure scaffold exhibits severe localized corrosion,with fractures in partial pillar connections.In contrast,the G-3-75% pore structure scaffold mainly undergoes uniform corrosion,maintaining structural integrity,and its corrosion rate and loss of compressive properties are less than those of the B-2-75%structure.After comparison,the G-pore structure scaffold is preferred.展开更多
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
Two 2-oxo-3-phenylpropionic acid arylformylhydrazone dibenzyltin(IV)complexes{[C4H3O(O)C=N-N=C(PhCH2)COO](C6H5CH2)2Sn(CH3OH)}2(Ⅰ)and{[t-Bu-C6H4(O)C=N-N=C(PhCH2)COO](C6H5CH2)2Sn(CH3OH)}2(Ⅱ)have been synthesized and c...Two 2-oxo-3-phenylpropionic acid arylformylhydrazone dibenzyltin(IV)complexes{[C4H3O(O)C=N-N=C(PhCH2)COO](C6H5CH2)2Sn(CH3OH)}2(Ⅰ)and{[t-Bu-C6H4(O)C=N-N=C(PhCH2)COO](C6H5CH2)2Sn(CH3OH)}2(Ⅱ)have been synthesized and characterized by IR,1H,13C and 119Sn NMR spectra,HRMS,and elemental,thermal stability and single-crystal X-ray diffraction analyses.Complex I crystallizes in the triclinic system,space group P1 with a=9.0392(9),b=10.249(1),c=15.5762(15)?,α=98.605(1)°,β=103.765(1)°,γ=104.056(1)°,Z=2,V=1326.3(2)?3,Dc=1.511 Mg·m^–3,m(MoKa)=1.005 mm–1,F(000)=612,R=0.0206 and wR=0.0524.Complex Ⅱ belongs to triclinic system,space group P1,a=11.4643(3),b=11.8885(3),c=13.0362(4)?,α=73.800(1)°,β=71.679(1)°,γ=79.006(1)°,Z=2,V=1609.34(8)?3,Dc=1.381 Mg·m^–3,m(MoKa)=0.833 mm–1,F(000)=688,R=0.0244 and wR=0.0244.In vitro antitumor activities of both complexes were evaluated by MTT against three human cancer cell lines(NCI-H460,HepG2 and MCF7)and human cell lines(HL7702).Both complexes exhibit better antitumor activity.Furthermore,the interaction between both complexes and calf thymus DNA was studied with EB fluorescent probe.展开更多
To control the tri-modal microstructure and performance,a prediction model of tri-modal microstructure in the isothermal local loading forming of titanium alloy was developed.The staged isothermal local loading experi...To control the tri-modal microstructure and performance,a prediction model of tri-modal microstructure in the isothermal local loading forming of titanium alloy was developed.The staged isothermal local loading experiment on TA15alloy indicates that there exist four important microstructure evolution phenomena in the development of tri-modal microstructure,i.e.,the generation of lamellarα,content variation of equiaxedα,spatial orientation change of lamellarαand globularization of lamellarα.Considering the laws of these microstructure phenomena,the microstructure model was established to correlate the parameters of tri-modal microstructure and processing conditions.Then,the developed microstructure model was integrated with finite element(FE)model to predict the tri-modal microstructure in the isothermal local loading forming.Its reliability and accuracy were verified by the microstructure observation at different locations of sample.Good agreements between the predicted and experimental results suggest that the developed microstructure model and its combination with FE model are effective in the prediction of tri-modal microstructure in the isothermal local loading forming of TA15alloy.展开更多
Modified α and β bis(salicylaldoxime)copper(Ⅱ) have been obtained by recrystallization from ethyl acetate(CCDC Nos. 212157 & 212158). The X-ray analysis reveals that the two modificated forms have the same stru...Modified α and β bis(salicylaldoxime)copper(Ⅱ) have been obtained by recrystallization from ethyl acetate(CCDC Nos. 212157 & 212158). The X-ray analysis reveals that the two modificated forms have the same structure with different geometric parameters. The α form crystallizes in the P2(1)/c space group and the β form in the P1 space group. Both the crystal structures consist of centrosymmetric monomeric molecules of Cu(OC_6H_4CNOH)_2. The IR spectra are in agreement with the structural data.展开更多
Two novel copper complexes with methyl or trifluoro-substituted mono-β-diiminato ligands and one acetoxyl anion were synthesized and characterized by IR spectroscopy and elemental analysis for the first time. The str...Two novel copper complexes with methyl or trifluoro-substituted mono-β-diiminato ligands and one acetoxyl anion were synthesized and characterized by IR spectroscopy and elemental analysis for the first time. The structure of complex 2 bearing trifluoro substituents was further confirmed by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with a = 7.377（4）, b = 11.727（6）, c = 12.913（7） ？, α = 116.569（6）, β = 98.829（7）, γ = 96.520（6）°, V = 966.2（8） ？3, Z = 2, Mr = 479.86, Dc = 1.649 g/cm3, F（000） = 482, μ = 1.205 mm-1, the final R = 0.0370 and w R = 0.0903 for 3430 observed reflections with I 〉 2σ（I）. These mono-β-diiminato copper complexes can effectively catalyze methacrylate（MA） polymerization when activated by MMAO. The introduction of fluoro groups into the N-aryl ring of β-diiminato ligands can greatly increase the catalytic activity of copper complexes as well as the molecular weight of PMA.展开更多
Let M be a real hypersurface of a complex space form with almost contact metric structure (φ,ξ,η,g). In this paper, we prove that if the structure Jacobi operator Rξ=(·,ξ) ξ is φ▽ξξ-parallel and Rξ com...Let M be a real hypersurface of a complex space form with almost contact metric structure (φ,ξ,η,g). In this paper, we prove that if the structure Jacobi operator Rξ=(·,ξ) ξ is φ▽ξξ-parallel and Rξ commute with the shape operator, then M is a Hopf hypersurface. Further, if Rξ is φ▽ξξ-parallel and Rξ commute with the Ricci tensor, then M is also a Hopf hypersurface provided that TrRξ is constant.展开更多
The reported X-ray structure and magnetochemical properties of [Mn6O2 (OCPh)10, (CH3CN)4], effectively derived from [NBu4][Mn4O2(O2CPh)9 (H2O)] with equivalent of tren in CH3CN is shown.
A 1：1 reaction of triphenyltin chloride with potassium N-[（3,5-dibromo-2-hydroxylphenyl）methylene]valinate in benzene led to the formation of a novel mixed organotin dinuclear complex, （HL）SnPh3oPh2SnL [L=2-O-3,5...A 1：1 reaction of triphenyltin chloride with potassium N-[（3,5-dibromo-2-hydroxylphenyl）methylene]valinate in benzene led to the formation of a novel mixed organotin dinuclear complex, （HL）SnPh3oPh2SnL [L=2-O-3,5-Br2C6H3CH=NCH（i-Pr）COO], by means of a facile phenyl-tin bond cleavage process. In the complex, there are two distinct types of carboxylate moieties and a trans-O2SnC2N and a trans-O2SnC3 in distorted trigonal bipyramidal geometries were bridged by a carboxylate group. In vitro antitumor activity of the complex against three human tumour cell lines （HeLa, CoLo205 and MCF-7） was found to be much higher than cis-platin used in clinic.展开更多
A novel nickel（II）-complex Ni[L]Cl2-CH3CN（1） containing the tridentate ligand 2,6-bis[1-（2,4,6- trimethylphenylimino）ethyl]pyridine（L） has been synthesized. The crystal structure of complex 1 was determined by...A novel nickel（II）-complex Ni[L]Cl2-CH3CN（1） containing the tridentate ligand 2,6-bis[1-（2,4,6- trimethylphenylimino）ethyl]pyridine（L） has been synthesized. The crystal structure of complex 1 was determined by single crystal X-ray diffraction analysis. The catalytic activity of complex 1 for the polymerization of ethylene was studied under activation with methylaluminoxane（MAO）.展开更多
A mononuclear copper(II) complex CuL with a Schiff-base L (H2L = N,N(- cyclohexanebis(3-formyl-5-tert-butyl-salicylaldimine)) has been synthesized and characterized. X-ray diffraction analysis at room temperature indi...A mononuclear copper(II) complex CuL with a Schiff-base L (H2L = N,N(- cyclohexanebis(3-formyl-5-tert-butyl-salicylaldimine)) has been synthesized and characterized. X-ray diffraction analysis at room temperature indicates that the complex (Cu C30H36N2O4, Mr = 552.15) crystallizes in tetrahedral system, space group P41 with a = 13.4685(6), c = 31.326(2) ?, V = 5682.5(5) ?3, Z = 8, Dc = 1.291 g/cm3, F(000) = 4656, μ(MoK() = 0.805 mm-1. The final R and Rw factors are 0.0421 and 0.0815, respectively with 4435 observed reflections. The title complex is a neutral molecule in which the ligand is doubly deprotonated, forming a four-coordinated Cu(II) complex by nitrogen and oxygen donors of the ligand and the coordination geometry of Cu(II) could be considered as an approximately planar configuration. There are two independent molecules, having a transoid arrangement in this structure.展开更多
Traditionally, simplification has been used in scientific modeling practices. However, recent advancements in deep learning techniques have provided a means to represent complex models. As a result, deep neural networ...Traditionally, simplification has been used in scientific modeling practices. However, recent advancements in deep learning techniques have provided a means to represent complex models. As a result, deep neural networks should be able to approximate the complex models, with a high degree of generalization. To achieve generalization, it is necessary to have a diverse range of examples in the training of the neural network, for example in data-driven FWI, training data should cover the expected subsurface models. To meet this requirement, we porposed a method to create geologically meaningful velocity models with complex structures and severe topography. However, it is important to note that generalization comes with its own set of challenges.Because of significant variation in topography of the generated velocity models, we need to include this information as an additional input data in training of the network. Therefore, we have transformed the seismic data to a fixed datum to incorporate geometric information. Additionally, we have enhanced the network's performance by introducing a term in the network loss function. Multiple metrics have been employed to evaluate the performance of the network. The results indicate that by providing the necessary information to the network and employing computational techniques to refine the model's accuracy, deep neural networks are capable of accurately estimating velocity models in complex environments characterized by extreme topography.展开更多
Electrochemical micromachining （EMM） technology for fabricating micro structures is presented in this article. By applying ultra short pulses, dissolution of a workpiece can be restricted to the region very close to...Electrochemical micromachining （EMM） technology for fabricating micro structures is presented in this article. By applying ultra short pulses, dissolution of a workpiece can be restricted to the region very close to the electrode. First, an EMM system for meeting the requirements of the EMM process is established. Second, sets of experiments is carried out to investigate the influence of some of the predominant electrochemical process parameters such as electrical parameters, feed rate, electrode geometry features and electrolyte composition on machining quality, especially the influences of pulse on time on shape precision and working end shape of electrode on machined surface quality. Finally, after the preliminary experiments, a complex microstructure with good shape precision and surface quality is successfully obtained.展开更多
文摘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.
文摘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.
文摘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.
基金Supported by National Natural Science Foundation of China(12275354,11805272)the College Students'Innovative Entrepreneurial Training Plan Program of Civil Aviation University of China(202210059080)。
文摘For the magnetized complex plasma,dependences of modified Yukawa potential on the gov-erning parameters,viz.,mass ratio md/mi,number ratio nd/ne0,charge magnitude Q/e,and temperature ratio Te/Ti are investigated.It is found that md/mi,nd/ne0 and Q/e contribute to the coupling strength of the system,and Te/Ti contributes to the shielding cloud surrounding the charged dust particles.Further analysis shows that the modified Yukawa potential depends on Te/Ti.The consequent structure changes of the system are discussed based on the Langevin dynamics simulation.It is found that the variation of Ham-iltonian contributes to the equilibrium structure of the system.
文摘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.
文摘Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene]-2-hydroxyacetohydrazide,H_(2)L_(2)=(E)-N'-(5-bromo-2-hydroxy-3-methoxybenzylidene)nicotinohydrazide,Hdbm=dibenzoylmethane,have been constructed by adopting the solvothermal method.Structural characterization unveils that both complexes 1 and 2 are constituted by two Gd^(3+)ions,two dbm-ions,two CH_(3)OH molecules,and two polydentate Schiff-base ligands(HL_(1)^(2-)or L_(2)^(2-)).In addition,complex 1 contains four free methanol molecules,whereas complex 2 harbors two free methanol molecules.By investigating the interactions between complexes 1 and 2 and four types of bacteria(Bacillus subtilis,Escherichia coli,Staphylococcus aureus,Candida albicans),it was found that both complexes 1 and 2 exhibited potent antibacte-rial activities.The interaction mechanisms between the ligands H_(3)L_(1),H_(2)L_(2),complexes 1 and 2,and calf thymus DNA(CT-DNA)were studied using ultraviolet-visible spectroscopy,fluorescence titration,and cyclic voltammetry.The results demonstrated that both complexes 1 and 2 can intercalate into CT-DNA molecules,thereby inhibiting bacterial proliferation to achieve the antibacterial effects.CCDC:2401116,1;2401117,2.
文摘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.
基金Science and Technology Planning Project of Inner Mongolia Science and Technology Department(2022YFSH0021)Key Research and Development Program of Shaanxi Province(2024SF2-GJHX-14,2021SF-296)。
文摘Four types of Mg-5Zn porous scaffolds with different pore geometries,including body-centered cubic(bcc),the rhombic dodecahedron(RD),gyroid(G),and primitive(P)types,were designed and fabricated using selective laser melting.Their forming quality,compression mechanical properties,and degradation behavior were investigated.Results indicate that the fabricated scaffolds exhibit good dimensional accuracy,and the surface chemical polishing treatment significantly improves the forming quality and reduces porosity error in porous scaffolds.Compared to the ones with rod structures(bcc,RD),the scaffolds with surface structures(G,P)have less powder particle adhesion.The G porous scaffold exhibits the best forming quality for the same design porosity.The predominant failure mode of scaffolds during compression is a 45°shear fracture.At a porosity of 75%,the compression property of all scaffolds meets the compressive property requirements of cancellous bone,while bcc and G structures show relatively better compression property.After immersion in Hank's solution for 168 h,the B-2-75% pore structure scaffold exhibits severe localized corrosion,with fractures in partial pillar connections.In contrast,the G-3-75% pore structure scaffold mainly undergoes uniform corrosion,maintaining structural integrity,and its corrosion rate and loss of compressive properties are less than those of the B-2-75%structure.After comparison,the G-pore structure scaffold is preferred.
基金supported by the National Key R&D Program of China(No.2021YFB1715000)the National Natural Science Foundation of China(No.52375073)。
文摘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.
基金Supported by Hunan Provincial College Student Research Study and Innovative Experiment Project(No.cx1813)Natural Science Foundation of Hunan Province(No.2017JJ3003)+1 种基金Hengyang Normal University Discipline Group Construction Project(No.18XKQ01)Foundation of Key Laboratory of Functional Metal-organic Compounds of Hunan Province(No.MO18K01)
文摘Two 2-oxo-3-phenylpropionic acid arylformylhydrazone dibenzyltin(IV)complexes{[C4H3O(O)C=N-N=C(PhCH2)COO](C6H5CH2)2Sn(CH3OH)}2(Ⅰ)and{[t-Bu-C6H4(O)C=N-N=C(PhCH2)COO](C6H5CH2)2Sn(CH3OH)}2(Ⅱ)have been synthesized and characterized by IR,1H,13C and 119Sn NMR spectra,HRMS,and elemental,thermal stability and single-crystal X-ray diffraction analyses.Complex I crystallizes in the triclinic system,space group P1 with a=9.0392(9),b=10.249(1),c=15.5762(15)?,α=98.605(1)°,β=103.765(1)°,γ=104.056(1)°,Z=2,V=1326.3(2)?3,Dc=1.511 Mg·m^–3,m(MoKa)=1.005 mm–1,F(000)=612,R=0.0206 and wR=0.0524.Complex Ⅱ belongs to triclinic system,space group P1,a=11.4643(3),b=11.8885(3),c=13.0362(4)?,α=73.800(1)°,β=71.679(1)°,γ=79.006(1)°,Z=2,V=1609.34(8)?3,Dc=1.381 Mg·m^–3,m(MoKa)=0.833 mm–1,F(000)=688,R=0.0244 and wR=0.0244.In vitro antitumor activities of both complexes were evaluated by MTT against three human cancer cell lines(NCI-H460,HepG2 and MCF7)and human cell lines(HL7702).Both complexes exhibit better antitumor activity.Furthermore,the interaction between both complexes and calf thymus DNA was studied with EB fluorescent probe.
基金Projects(51605388,51575449)supported by the National Natural Science Foundation of ChinaProject(B08040)supported by the "111" Project,China+1 种基金Project(131-QP-2015)supported by the Research Fund of the State Key Laboratory of Solidification Processing(NWPU),ChinaProject supported by the Open Research Fund of State Key Laboratory of Materials Processing and Die&Mould Technology,Huazhong University of Science and Technology,China
文摘To control the tri-modal microstructure and performance,a prediction model of tri-modal microstructure in the isothermal local loading forming of titanium alloy was developed.The staged isothermal local loading experiment on TA15alloy indicates that there exist four important microstructure evolution phenomena in the development of tri-modal microstructure,i.e.,the generation of lamellarα,content variation of equiaxedα,spatial orientation change of lamellarαand globularization of lamellarα.Considering the laws of these microstructure phenomena,the microstructure model was established to correlate the parameters of tri-modal microstructure and processing conditions.Then,the developed microstructure model was integrated with finite element(FE)model to predict the tri-modal microstructure in the isothermal local loading forming.Its reliability and accuracy were verified by the microstructure observation at different locations of sample.Good agreements between the predicted and experimental results suggest that the developed microstructure model and its combination with FE model are effective in the prediction of tri-modal microstructure in the isothermal local loading forming of TA15alloy.
文摘Modified α and β bis(salicylaldoxime)copper(Ⅱ) have been obtained by recrystallization from ethyl acetate(CCDC Nos. 212157 & 212158). The X-ray analysis reveals that the two modificated forms have the same structure with different geometric parameters. The α form crystallizes in the P2(1)/c space group and the β form in the P1 space group. Both the crystal structures consist of centrosymmetric monomeric molecules of Cu(OC_6H_4CNOH)_2. The IR spectra are in agreement with the structural data.
基金Supported by the National Natural Science Foundation of China(21172269)the Applied Fundamental Research Project of Wuhan City(2015011701011598)
文摘Two novel copper complexes with methyl or trifluoro-substituted mono-β-diiminato ligands and one acetoxyl anion were synthesized and characterized by IR spectroscopy and elemental analysis for the first time. The structure of complex 2 bearing trifluoro substituents was further confirmed by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with a = 7.377（4）, b = 11.727（6）, c = 12.913（7） ？, α = 116.569（6）, β = 98.829（7）, γ = 96.520（6）°, V = 966.2（8） ？3, Z = 2, Mr = 479.86, Dc = 1.649 g/cm3, F（000） = 482, μ = 1.205 mm-1, the final R = 0.0370 and w R = 0.0903 for 3430 observed reflections with I 〉 2σ（I）. These mono-β-diiminato copper complexes can effectively catalyze methacrylate（MA） polymerization when activated by MMAO. The introduction of fluoro groups into the N-aryl ring of β-diiminato ligands can greatly increase the catalytic activity of copper complexes as well as the molecular weight of PMA.
文摘Let M be a real hypersurface of a complex space form with almost contact metric structure (φ,ξ,η,g). In this paper, we prove that if the structure Jacobi operator Rξ=(·,ξ) ξ is φ▽ξξ-parallel and Rξ commute with the shape operator, then M is a Hopf hypersurface. Further, if Rξ is φ▽ξξ-parallel and Rξ commute with the Ricci tensor, then M is also a Hopf hypersurface provided that TrRξ is constant.
文摘The reported X-ray structure and magnetochemical properties of [Mn6O2 (OCPh)10, (CH3CN)4], effectively derived from [NBu4][Mn4O2(O2CPh)9 (H2O)] with equivalent of tren in CH3CN is shown.
基金supported by the Natural Science Foundation of Shandong Province(No.Z2002F01)and Qufu Normal Universiy
文摘A 1：1 reaction of triphenyltin chloride with potassium N-[（3,5-dibromo-2-hydroxylphenyl）methylene]valinate in benzene led to the formation of a novel mixed organotin dinuclear complex, （HL）SnPh3oPh2SnL [L=2-O-3,5-Br2C6H3CH=NCH（i-Pr）COO], by means of a facile phenyl-tin bond cleavage process. In the complex, there are two distinct types of carboxylate moieties and a trans-O2SnC2N and a trans-O2SnC3 in distorted trigonal bipyramidal geometries were bridged by a carboxylate group. In vitro antitumor activity of the complex against three human tumour cell lines （HeLa, CoLo205 and MCF-7） was found to be much higher than cis-platin used in clinic.
基金National Natural Science Foundation of China(Nos.20771030 and 20671025)Development Program for Outstanding Young Teachers in Harbin Institute of Technology(No.HITQNJS.2006.029)+1 种基金Science Innovation Special Founda-tion of Harbin City in China(No.2006RFQXG037)Young Foundation of Heilongjiang Province, China(No.QC06C029)
文摘A novel nickel（II）-complex Ni[L]Cl2-CH3CN（1） containing the tridentate ligand 2,6-bis[1-（2,4,6- trimethylphenylimino）ethyl]pyridine（L） has been synthesized. The crystal structure of complex 1 was determined by single crystal X-ray diffraction analysis. The catalytic activity of complex 1 for the polymerization of ethylene was studied under activation with methylaluminoxane（MAO）.
基金the National Natural Science Foundation of China (No. 29871018) and the foundation of Open Laboratory for Chiral Technology of H
文摘A mononuclear copper(II) complex CuL with a Schiff-base L (H2L = N,N(- cyclohexanebis(3-formyl-5-tert-butyl-salicylaldimine)) has been synthesized and characterized. X-ray diffraction analysis at room temperature indicates that the complex (Cu C30H36N2O4, Mr = 552.15) crystallizes in tetrahedral system, space group P41 with a = 13.4685(6), c = 31.326(2) ?, V = 5682.5(5) ?3, Z = 8, Dc = 1.291 g/cm3, F(000) = 4656, μ(MoK() = 0.805 mm-1. The final R and Rw factors are 0.0421 and 0.0815, respectively with 4435 observed reflections. The title complex is a neutral molecule in which the ligand is doubly deprotonated, forming a four-coordinated Cu(II) complex by nitrogen and oxygen donors of the ligand and the coordination geometry of Cu(II) could be considered as an approximately planar configuration. There are two independent molecules, having a transoid arrangement in this structure.
文摘Traditionally, simplification has been used in scientific modeling practices. However, recent advancements in deep learning techniques have provided a means to represent complex models. As a result, deep neural networks should be able to approximate the complex models, with a high degree of generalization. To achieve generalization, it is necessary to have a diverse range of examples in the training of the neural network, for example in data-driven FWI, training data should cover the expected subsurface models. To meet this requirement, we porposed a method to create geologically meaningful velocity models with complex structures and severe topography. However, it is important to note that generalization comes with its own set of challenges.Because of significant variation in topography of the generated velocity models, we need to include this information as an additional input data in training of the network. Therefore, we have transformed the seismic data to a fixed datum to incorporate geometric information. Additionally, we have enhanced the network's performance by introducing a term in the network loss function. Multiple metrics have been employed to evaluate the performance of the network. The results indicate that by providing the necessary information to the network and employing computational techniques to refine the model's accuracy, deep neural networks are capable of accurately estimating velocity models in complex environments characterized by extreme topography.
基金National Natural Science Foundation of China (50635040)National High-tech Research and Development Program (2009AA04Z302)Jiangsu Provincial Natural Science Foundation (BK2008043)
文摘Electrochemical micromachining （EMM） technology for fabricating micro structures is presented in this article. By applying ultra short pulses, dissolution of a workpiece can be restricted to the region very close to the electrode. First, an EMM system for meeting the requirements of the EMM process is established. Second, sets of experiments is carried out to investigate the influence of some of the predominant electrochemical process parameters such as electrical parameters, feed rate, electrode geometry features and electrolyte composition on machining quality, especially the influences of pulse on time on shape precision and working end shape of electrode on machined surface quality. Finally, after the preliminary experiments, a complex microstructure with good shape precision and surface quality is successfully obtained.
