This study tests the hysteresis hypothesis of unemployment in fifteen OECD countries by using panel unit root tests which allow for structural breaks. We apply annual unemployment rates covering 1985-2008 periods. We ...This study tests the hysteresis hypothesis of unemployment in fifteen OECD countries by using panel unit root tests which allow for structural breaks. We apply annual unemployment rates covering 1985-2008 periods. We test whether unemployment rates are stationary by using second generation tests which allow cross section dependency among series and panel unit root test based on structural break advanced by Carrion-i-Silvestre, Barrio-Castro and Lopez-Bazo (2005). We find series as a stationary process with structural breaks according to Carrion-i Silvestre et al. (2005) test, while we find series as unit root process with second generation panel unit root test. According to the Carrion-i Silvestre et al. (2005) test, we find the evidence of absence of hysteresis in analyzed countries. As a result, temporary shocks have temporary effects on unemployment instead of permanent effect. Structural factors can affect the natural rate of unemployment and, therefore, unemployment would be stationary around a process that is subject to structural breaks. So, there still exists a unique natural rate of unemployment to which the economy eventually will converge.展开更多
Using first-principle calculations, we investigate the mechanical, structural, and electronic properties and formation energy of 25 kinds of Ⅲ–V binary monolayers in detail. A relative radius of the binary compound ...Using first-principle calculations, we investigate the mechanical, structural, and electronic properties and formation energy of 25 kinds of Ⅲ–V binary monolayers in detail. A relative radius of the binary compound according to the atomic number in the periodic table is defined, and based on the definition, the 25 kinds of Ⅲ–V binary compounds are exactly located at a symmetric position in a symmetric matrix. The mechanical properties and band gaps are found to be very dependent on relative radius, while the effective mass of holes and electrons are found to be less dependent. A linear function between Young’s modulus and formation energy is fitted with a linear relation in this paper. The change regularity of physical properties of B–V(V = P, As, Sb, Bi) and Ⅲ–N(Ⅲ = Al, Ga, In, Tl) are found to be very different from those of other Ⅲ–V binary compounds.展开更多
2,3-Bis(hydroxymethyl)-2,3-dinitro-1,4-butanediol(C6H12N2O8) was synthesized by condensation,cyclization,oxidative dimerization and deketalization of nitromethane with a total yield of 42.4%.The structure of the t...2,3-Bis(hydroxymethyl)-2,3-dinitro-1,4-butanediol(C6H12N2O8) was synthesized by condensation,cyclization,oxidative dimerization and deketalization of nitromethane with a total yield of 42.4%.The structure of the title compound was characterized by 1H NMR,13C NMR,FT-IR,elementary analysis,and X-ray single-crystal diffraction analysis,which reveals that the title compound crystallizes in triclinic,space group P with a = 0.6324(2),b = 0.6454(3),c = 0.7062(3) nm,α= 111.550(4),β= 95.505(4),γ= 113.395(4)°,V = 0.23595(16) nm3,Z = 1,Mr = 240.18,Dc = 1.690 g·cm-3,μ = 0.159 mm-1,F(000) = 126,R = 0.0304 and wR = 0.0907.展开更多
Two new Cd(Ⅱ) coordination polymers, [Cd(PT)(1,4-BDC)0.5]n (1) and [Cd(PT) (1,3-BDC)0.5]n (2) (HPT = 3-(pyridin-2-yl)-1,2,4-triazole, 1,4-H2BDC = 1,4-benzenedicarboxylic acid, 1,3-H2BDC = 1,3-benzene...Two new Cd(Ⅱ) coordination polymers, [Cd(PT)(1,4-BDC)0.5]n (1) and [Cd(PT) (1,3-BDC)0.5]n (2) (HPT = 3-(pyridin-2-yl)-1,2,4-triazole, 1,4-H2BDC = 1,4-benzenedicarboxylic acid, 1,3-H2BDC = 1,3-benzenedicarboxylic acid), have been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction as well as elemental analysis and IR. Complexes 1 and 2 are both three-dimensional coordination polymers with two-dimensional sheet structures bridged by the deprotonated carboxylate ligands. In 1, 1,4-BDC2- bridges the layered network to generate a quadrangular framework, and 2 owns a sexangular framework, which was caused by the different steric hindrance between 1,4-BDC^2- and 1,3-BDC^2-. Their thermal stabilities and photoluminescent properties have been also investigated.展开更多
Three new dimethyltin complexes of N-(3-methoxysalicylidene)-α-amino acid,(CH3)2Sn(3-CH3O-2-OC6H3CH=NCHRCOO)(R = H,1;CH3,2;(CH3)2CH,3),have been synthe-sized by treating dimethyltin dichloride with the pota...Three new dimethyltin complexes of N-(3-methoxysalicylidene)-α-amino acid,(CH3)2Sn(3-CH3O-2-OC6H3CH=NCHRCOO)(R = H,1;CH3,2;(CH3)2CH,3),have been synthe-sized by treating dimethyltin dichloride with the potassium salt of the ligand and characterized by elemental analysis,IR and 1H NMR spectra.The crystal structure of [(CH3)2Sn(3-CH3O-2-OC6H3CH=NCH2COO)(CH3OH)]2 H2O(1a),formed from methanol solution of 1,has been deter-mined.The crystal belongs to the monoclinic system,space group C/2c with a = 20.636(3),b = 7.8854(9),c = 20.668(2) ,β= 113.265(2)°,V = 3089.7(6) 3,Z = 4,Dc = 1.707 g/cm3,= 1.675 mm-1,F(000) = 1592,R = 0.0301 and wR = 0.0841.In complex 1a,the tin atom is six-coordinate and possesses a distorted [SnC2NO3] octahedral geometry with the two methyl groups occupying the trans positions.The weak Sn O interactions and intermolecular hydrogen bonds connected the molecules into an infinite chain.展开更多
Elemental analysis, Fourier transform infrared (FTIR), 1H-NMR, fluorescence spectroscopy, and surface tension methods have been used to characterize the molecular structure and the aggregation behaviors of two aspha...Elemental analysis, Fourier transform infrared (FTIR), 1H-NMR, fluorescence spectroscopy, and surface tension methods have been used to characterize the molecular structure and the aggregation behaviors of two asphaltenic fractions derived, respectively, from an Alge- rian petroleum well and a corresponding storage tank deposit. Elemental analysis, FTIR, ~H-NMR, and fluores- cence spectroscopy were used to investigate the chemical composition and structural parameters of asphaltenes, while the surface tension method was used to measure the critical micelle concentration (CMC) in organic solvents with different solubility parameters and polarities in order to characterize the asphaltenes' aggregation behaviors. Results show that the unstable asphaltenes fraction extracted from the storage tank deposit possesses a higher polarity (higher heteroatoms content) and a lower aro- maticity than stable asphaltenes from the petroleum well. The CMC results indicate that asphaltenes with high polarity and low aromaticity have a high solubility in polar solvents such as nitrobenzene, whereas asphaltenes with low polarity and high aromaticity are more soluble in solvents with weak polarity, like toluene. It is concludedthat the difference of structure of asphaltene samples and polarity of solvents can lead to difference of aggregation behaviors.展开更多
An energetic salt of bis(l,5-diamino-lH-tetrazolium)3,3"-bis(nitramino)-4, 4x-azo- furazan (C6H10N2206) was synthesized with the total yield of 61.7% by using 3,4-diaminofurazan (DAF) as the starting material...An energetic salt of bis(l,5-diamino-lH-tetrazolium)3,3"-bis(nitramino)-4, 4x-azo- furazan (C6H10N2206) was synthesized with the total yield of 61.7% by using 3,4-diaminofurazan (DAF) as the starting material. The structure of the title compound was confirmed by NMR, IR, elemental analysis and single-crystal X-ray diffraction. It crystallizes in orthorhombic, space group P21/c with a = 10.739(2), b = 6.4765(12), c = 14.138(3) A, fl= 108.787(3)°, V= 930.9(3) A3, Z = 1, Mr= 486.36, Dc = 1.735 g.cm3, μ= 0.15 mm-1, F(000) = 496, R = 0.042 and wR = 0.121. The thermal stability was analyzed by subsequently differential scanning calorimetry (DSC). And the enthalpy of formation and detonation was calculated theoretically, showing the first decomposition temperature was 142.1℃, the enthalpy of formation was 1614.23 kJ.mol1 and the detonation velocity and detonation pressure were 8.781 km.s-1 and 30.7 GPa, respectively.展开更多
We have prepared the 2-(quinolin-8-yloxy)-acetic acid and characterized it by infrared and Raman spectroscopies in the solid phase. The Density Functional Theory (DFT) method, together with the 6-31G^* and 6-311...We have prepared the 2-(quinolin-8-yloxy)-acetic acid and characterized it by infrared and Raman spectroscopies in the solid phase. The Density Functional Theory (DFT) method, together with the 6-31G^* and 6-311++ G^** basis sets, show that three stable molecules, for the anhydrous and monohydrated compounds were theoretically determined in the gas phase, and that probably the two more stable conformations are present in the solid phase of the monohydrated compound. The harmonic vibrational wavenumbers for the optimized geometries were calculated at B3LYP/6-31G^*and B3LYP/6-311++G^** levels. For a complete assignment of all the observed bands in the vibrational spectra the DFT calculations were combined with Pulay's scaled quantum mechanical force field (SQMFF) methodology in order to fit the theoretical Wavenumber values to the experimental ones. The characteristics of the electronic delocalization of all structures of both forms were performed by using natural bond orbital (NBO), while the corresponding topological properties of electronic charge density are analysed by employing Bader's atoms in molecules theory (AIM).展开更多
The title compound Ph3P=C(H)C(O)PhNO2 (L) has been prepared by the addition of triphenylphosphine in acetone as solvent to 2-bromo-1-(3,nitrophenyl)ethanone followed by the addition of alkaline solution of sod...The title compound Ph3P=C(H)C(O)PhNO2 (L) has been prepared by the addition of triphenylphosphine in acetone as solvent to 2-bromo-1-(3,nitrophenyl)ethanone followed by the addition of alkaline solution of sodium hydroxide. The yellow crystals of the title ylide were grown in methanol/chloroform solution by drop method without stirring at room temperature. The solid state structure of ylide has been established by X-ray crystallography analysis. In the molecule of the title compound, the geometry around the P atom is nearly tetrahedral and the O atom is in synperiplanar orientation to the P atom. The nitrophenyl ring is twisted with respect to the plane of the carbonyl group through an angle of 36.6(1)°. The crystal (C26H20NO3P, Mr = 425.40) belongs to the monoclinic system, space group P21/n with a = 10.889(3), b = 14.467(3), e = 13.872(4)A, β = 103.08(3)°, V = 2128.6(10) A3, Z= 4, T= 100(2) K, R = 0.059 and wR = 0.163 for 3984 observed reflections with I〉 2σ(I).展开更多
This paper summarizes the new developments in the study of barium rare-earth fluor-carbonate mineral structures .The second order superstructure of cebaite -(Ce ) was solved by using high power X-ray single crystal di...This paper summarizes the new developments in the study of barium rare-earth fluor-carbonate mineral structures .The second order superstructure of cebaite -(Ce ) was solved by using high power X-ray single crystal diffractometer . Five kinds of coordination forms were found . All atoms in the cell , including C and F , were properly located . In the process of study in a cordylite-(Ce ), a new mineral was discovered , whose chemical formula is (Ca0.5□0.5) BaCe2 (CO3)4F . It is isostructural with baiyuneboite - (Ce ), but different in composition (Na in baiyuneboite- (Ce ) is substituted by Ca disorderly ) . On the basis of the studies a proposal to re-define cordylite-(Ce )as a mineral group name is put forth by the authors . Finally a new type of twinning of huanghoite-(Ce ) was found on the systematical absence of diffraction data by means of a single crystal diffractometer .展开更多
A series of novel 2-(1-substituted-1,11-undecylidene)-5-arylimino-△^3-1,3,4-thiadiazolines (4) were synthesized and their structure was characterized by ^1H NMR, ^13C NMR and elemental analysis. Their solubility ...A series of novel 2-(1-substituted-1,11-undecylidene)-5-arylimino-△^3-1,3,4-thiadiazolines (4) were synthesized and their structure was characterized by ^1H NMR, ^13C NMR and elemental analysis. Their solubility in both polar and non-polar solvents is significantly improved owing to the introduction of ethyl or methylthio group at cyclododecyl ring as compared with parent compounds [1, 2-(1,11-undecylidene)-5-arylimino-△^3-1,3,4-thiadiazolines]. However, their fungicidal activity against Rhizoctonia solani is less than that of parent compounds. X-ray diffraction analysis of a representative compound (4d) showed that the conformation of 12-membered ring is still [3333], in which the ethyl group present at the side-exo position and the thiadiazoline ring at the comer carbon. The thiadiazoline plane is perpendicular to the cyclododecyl one.展开更多
The protein family of 14-3-3(s) has risen to a position of higher importance as an adaptor protein in cell biology. The seven highly conserved human 14-3-3 proteins coordinate diverse cellular processes including apop...The protein family of 14-3-3(s) has risen to a position of higher importance as an adaptor protein in cell biology. The seven highly conserved human 14-3-3 proteins coordinate diverse cellular processes including apoptosis, DNA damage response, protein trafficking, and others. In liver hepatocytes, 14-3-3β binds to Ser196-phosphorilated glucose-responsive carbohydrate response element-binding protein (ChREBP) to inhibit converting excess carbohydrate to fat by regulating the nuclear/cytosol trafficking of ChREBP. Here, we report X-ray crystal structures of homodimeric mammalian 14-3-3β in its apo, Malate-bound forms. The determined apo structure was captured with one monomer in the closed state, whereas the other one had an open conformation. Strikingly, 14-3-3β binds Malate dynamically with a double-closed state, which is distinct from all previously characterized 14-3-3(s) and target ligand-binding modes. Malate docks into a first-time observed cofactor pocket located at the concaved interface of 14-3-3β helices α2, α3, α4 through mainly electrostatic and hydrogen interactions. Such a Tricarboxylic Acid Cycle intermediate Malate bond model might offer a new approach to further analyze insulin-independent 14-3-3/ChREBP pathway of de novo fat synthesis in the liver.展开更多
The model based on Marxism economics such as capital structure ,capital deposit and capital cycles measure directly natural rate of the unemployment. The natural rate of unemployment is decided by the capital per work...The model based on Marxism economics such as capital structure ,capital deposit and capital cycles measure directly natural rate of the unemployment. The natural rate of unemployment is decided by the capital per worker, capital structure and average wage. According to the model the natural rate of the unemployment is empirical from 1991 to 2009.the result shows that the ascendant trend is very obvious. At last, according to the model, adjusting economic structure and regulating income distribution can reduce natural rate of unemployment.展开更多
The single crystal of bi(8-hydroxyquinoline) bihydrated cobalt (Ⅱ) complex, [ Co(Q)2 (H2O2 ] (Q = 8-hydroxyquinoline ion), has been synthesized by general method and structurally characterized by single crys...The single crystal of bi(8-hydroxyquinoline) bihydrated cobalt (Ⅱ) complex, [ Co(Q)2 (H2O2 ] (Q = 8-hydroxyquinoline ion), has been synthesized by general method and structurally characterized by single crystal X-ray diffraction. Crystal data: C18H16CoN2O4, monoclinic, C2/c, α = 1.336 2(4) nm, b = 0.941 2(3) nm, c = 1.354 3(4) nm, β= 109.672(4)°, Z = 4. In the complex, Co( Ⅱ ) ion is six-coordinated, forming a distorted octahedron. H-bonding and π-π stacking interaction play a significant role to form and stabilize the three-dimensional structure.展开更多
Two-dimensional bulge/disk light decomposition with GIM2D in both the r- and g-bands has been applied to a sample of 129 early-type galaxies brighter than 13.5 magnitude in the r-band, selected from the Sloan Digital ...Two-dimensional bulge/disk light decomposition with GIM2D in both the r- and g-bands has been applied to a sample of 129 early-type galaxies brighter than 13.5 magnitude in the r-band, selected from the Sloan Digital Sky Survey Data Release 2. Intensity-weighted Fourier coefficient (α4/α) was also derived for each sample galaxy. Our analysis shows that there are correlations between bulge-to-total light ratio (B/T) with bulge Sersic index nB and between bulge and disk scale sizes. Isophotal shape parameter (α4/α) is not correlated with BIT and riB. Both bulge and disk components satisfy a color-magnitude relation. The space Fundamental Plane analysis shows that galaxies with larger B/T tend to lie tighter and closer to the line of k1 + k2 = 8 (the so-called "zone of avoidance") than the galaxies with smaller B/T. It indicates that existence of the disk component may lead to scatter of the distribution on the Fundamental Plane. Our analysis also shows that k1 + k2 correlates with (g-r) color and B/T, but does not correlate with (α4/α) for early-type galaxies. The fitted parameters and other retrieved parameters used in this paper for all sample galaxies are available online.展开更多
Talin-1 head(hereinafter referred to as TH)is the head structure of talin protein,which contains a four-point-one-protein/ezrin/radixin/moesin(FERM)domain.Its F1 domain contains an unstructured loop of 30 amino acids(...Talin-1 head(hereinafter referred to as TH)is the head structure of talin protein,which contains a four-point-one-protein/ezrin/radixin/moesin(FERM)domain.Its F1 domain contains an unstructured loop of 30 amino acids(139-168),which does not interact with other domains.Because TH doesn’t get the crystal structure and whether the unstructured loop has obvious influence on the TH secondary structure,therefore,the truncated talin-1 headΔ139-168(hereinafter referred to as THΔ)was constructed and its structure and the impact of stability after truncation were analyzed.Molecular biology and structural biology methods were used to construct prokaryotic expression vectors of TH and THΔ,explore and optimize the expression conditions of recombinants,and they were purified by affinity chromatography and FPLC gel filtration chromatography.Finally,a large number of stable,high-purity protein samples were prepared successfully.The physicochemical properties and structural stability of the proteins were investigated by dynamic light scattering and circular dichroism.The results showed that the THΔsecondary structure of the truncated body did not change significantly,the structural stability was enhanced and the resistance to guanidine hydrochloride and high temperature was stronger.展开更多
Based on the latest demographic and labor data, this paper reveals the changes in China's labor supply and demonstrates that China's key employment issues are no longer quantitative contradictions but increasingly h...Based on the latest demographic and labor data, this paper reveals the changes in China's labor supply and demonstrates that China's key employment issues are no longer quantitative contradictions but increasingly have become structural issues related to labor market mismatch. Due to real and potential economic growth rates being consistent, cyclical unemployment is, at least for now, not striking. If traditional policy measures continue to be followed in disregard of frictional and structural attributes of the labor market to increase total employment, not only will China's employment issues persist but new labor market problems may arise as well China should focus on addressing structural unemployment contradictions.展开更多
[Objective] This study aimed to predict the structure of protein OmpH from Pasteurella multocida C47-8 (PmC47-8) strain of yak. [Method] Online BLAST, signal peptide prediction, secondary structure prediction and pr...[Objective] This study aimed to predict the structure of protein OmpH from Pasteurella multocida C47-8 (PmC47-8) strain of yak. [Method] Online BLAST, signal peptide prediction, secondary structure prediction and protein characteristics of sequencing result of gene OmpH from PmC47-8 strain were analyzed. [Result] The similarities of gene OmpH from PmC47-8 with the published 81 OmpH genes were between 84% and 99%; a signal peptide was found with the cleavage sites between 20 and 21 in the polypeptide; secondary structure prediction showed that folding structure accounted for 49.8% and loop structure for 50.2%; it predicted that there were 7 O-glycosylation sites in OmpH protein with the amino acid residual sites of 2, 45, 48, 330, 716, 721, 723, respectively, and 2 N-glycosylation sites with the amino acid residual sites of 15 and 35. [Conclusion] This study lays the foundation for the study on the immunity of OmpH gene from yak.展开更多
An oblique detonation wave for a Mach 7 inlet flow over a long enough wedge of 30 turning angle is simulated numerically using Euler equation and one-step rection model.The fifth-order WENO scheme is adopted to captur...An oblique detonation wave for a Mach 7 inlet flow over a long enough wedge of 30 turning angle is simulated numerically using Euler equation and one-step rection model.The fifth-order WENO scheme is adopted to capture the shock wave.The numerical results show that with the compression of the wedge wall the detonation wave front structure is divided into three sections:the ZND model-like strcuture,single-sided triple point structure and dual-headed triple point strucuture.The first structure is the smooth straight,and the second has the characteristic of the triple points propagating dowanstream only with the same velocity,while the dual-headed triple point structure is very complicated.The detonation waves facing upstream and downstream propagate with different velocities,in which the periodic collisions of the triple points cause the oscillation of the detonation wave front.This oscillation process has temporal and spatial periodicity.In addition,the triple point trace are recorded to obtain different cell structures in three sections.展开更多
The continental margin of Northeast China and its adjacent areas is composed of two tectonic belts. The inner belt is a collage made up of fragments resulting from breakup of an old land with the north part related to...The continental margin of Northeast China and its adjacent areas is composed of two tectonic belts. The inner belt is a collage made up of fragments resulting from breakup of an old land with the north part related to the evolution of the Palaeo-Asian Ocean and the south part to the evolution of the Palaeo - Pacific Ocean. The outer belt is a Mesozoic terrane, which is a melange made up of fragments of the Late Palaeozoic to Early Mesozoic oceanic crust and the Late M esozoic trench accumulations.There existed another ocean-the Palaeo - Pacific Ocean during the period from the closing of the Palaeo-Asian Ocean to the opening of the modern Pacific Ocean or from the Devonian to Jurassic, and the ocean-floor spreading of the Palaeo - Pacific Ocean led to the formation of the above-mentioned tectonic belts. The development of the strike-slip fault system after the Late Jurassic and the formation of an epicontinental volcano -plutonic rock belt in the Late Cretaceous to Early Tertiary are attributed to the interaction between the modern Pacific plate and the Eurasian plate.展开更多
文摘This study tests the hysteresis hypothesis of unemployment in fifteen OECD countries by using panel unit root tests which allow for structural breaks. We apply annual unemployment rates covering 1985-2008 periods. We test whether unemployment rates are stationary by using second generation tests which allow cross section dependency among series and panel unit root test based on structural break advanced by Carrion-i-Silvestre, Barrio-Castro and Lopez-Bazo (2005). We find series as a stationary process with structural breaks according to Carrion-i Silvestre et al. (2005) test, while we find series as unit root process with second generation panel unit root test. According to the Carrion-i Silvestre et al. (2005) test, we find the evidence of absence of hysteresis in analyzed countries. As a result, temporary shocks have temporary effects on unemployment instead of permanent effect. Structural factors can affect the natural rate of unemployment and, therefore, unemployment would be stationary around a process that is subject to structural breaks. So, there still exists a unique natural rate of unemployment to which the economy eventually will converge.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.61564002 and 11664005)the Guizhou Normal University Innovation and Entrepreneurship Education Research Center Foundation(Grant No.0418010)the Joint Foundation of Guizhou Normal University(Grant No.7341)
文摘Using first-principle calculations, we investigate the mechanical, structural, and electronic properties and formation energy of 25 kinds of Ⅲ–V binary monolayers in detail. A relative radius of the binary compound according to the atomic number in the periodic table is defined, and based on the definition, the 25 kinds of Ⅲ–V binary compounds are exactly located at a symmetric position in a symmetric matrix. The mechanical properties and band gaps are found to be very dependent on relative radius, while the effective mass of holes and electrons are found to be less dependent. A linear function between Young’s modulus and formation energy is fitted with a linear relation in this paper. The change regularity of physical properties of B–V(V = P, As, Sb, Bi) and Ⅲ–N(Ⅲ = Al, Ga, In, Tl) are found to be very different from those of other Ⅲ–V binary compounds.
基金Supported by the National "973" project (No. 613740102)
文摘2,3-Bis(hydroxymethyl)-2,3-dinitro-1,4-butanediol(C6H12N2O8) was synthesized by condensation,cyclization,oxidative dimerization and deketalization of nitromethane with a total yield of 42.4%.The structure of the title compound was characterized by 1H NMR,13C NMR,FT-IR,elementary analysis,and X-ray single-crystal diffraction analysis,which reveals that the title compound crystallizes in triclinic,space group P with a = 0.6324(2),b = 0.6454(3),c = 0.7062(3) nm,α= 111.550(4),β= 95.505(4),γ= 113.395(4)°,V = 0.23595(16) nm3,Z = 1,Mr = 240.18,Dc = 1.690 g·cm-3,μ = 0.159 mm-1,F(000) = 126,R = 0.0304 and wR = 0.0907.
基金supported by the National Natural Science Foundation of China(21501012 and 51203012)
文摘Two new Cd(Ⅱ) coordination polymers, [Cd(PT)(1,4-BDC)0.5]n (1) and [Cd(PT) (1,3-BDC)0.5]n (2) (HPT = 3-(pyridin-2-yl)-1,2,4-triazole, 1,4-H2BDC = 1,4-benzenedicarboxylic acid, 1,3-H2BDC = 1,3-benzenedicarboxylic acid), have been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction as well as elemental analysis and IR. Complexes 1 and 2 are both three-dimensional coordination polymers with two-dimensional sheet structures bridged by the deprotonated carboxylate ligands. In 1, 1,4-BDC2- bridges the layered network to generate a quadrangular framework, and 2 owns a sexangular framework, which was caused by the different steric hindrance between 1,4-BDC^2- and 1,3-BDC^2-. Their thermal stabilities and photoluminescent properties have been also investigated.
基金supported by the Natural Science Foundation of Shandong Province (ZR2010BL012)thescientific research projects of Binzhou University (BZXYG0901,BZXYQNLG200912,BZXYFB20100403)
文摘Three new dimethyltin complexes of N-(3-methoxysalicylidene)-α-amino acid,(CH3)2Sn(3-CH3O-2-OC6H3CH=NCHRCOO)(R = H,1;CH3,2;(CH3)2CH,3),have been synthe-sized by treating dimethyltin dichloride with the potassium salt of the ligand and characterized by elemental analysis,IR and 1H NMR spectra.The crystal structure of [(CH3)2Sn(3-CH3O-2-OC6H3CH=NCH2COO)(CH3OH)]2 H2O(1a),formed from methanol solution of 1,has been deter-mined.The crystal belongs to the monoclinic system,space group C/2c with a = 20.636(3),b = 7.8854(9),c = 20.668(2) ,β= 113.265(2)°,V = 3089.7(6) 3,Z = 4,Dc = 1.707 g/cm3,= 1.675 mm-1,F(000) = 1592,R = 0.0301 and wR = 0.0841.In complex 1a,the tin atom is six-coordinate and possesses a distorted [SnC2NO3] octahedral geometry with the two methyl groups occupying the trans positions.The weak Sn O interactions and intermolecular hydrogen bonds connected the molecules into an infinite chain.
文摘Elemental analysis, Fourier transform infrared (FTIR), 1H-NMR, fluorescence spectroscopy, and surface tension methods have been used to characterize the molecular structure and the aggregation behaviors of two asphaltenic fractions derived, respectively, from an Alge- rian petroleum well and a corresponding storage tank deposit. Elemental analysis, FTIR, ~H-NMR, and fluores- cence spectroscopy were used to investigate the chemical composition and structural parameters of asphaltenes, while the surface tension method was used to measure the critical micelle concentration (CMC) in organic solvents with different solubility parameters and polarities in order to characterize the asphaltenes' aggregation behaviors. Results show that the unstable asphaltenes fraction extracted from the storage tank deposit possesses a higher polarity (higher heteroatoms content) and a lower aro- maticity than stable asphaltenes from the petroleum well. The CMC results indicate that asphaltenes with high polarity and low aromaticity have a high solubility in polar solvents such as nitrobenzene, whereas asphaltenes with low polarity and high aromaticity are more soluble in solvents with weak polarity, like toluene. It is concludedthat the difference of structure of asphaltene samples and polarity of solvents can lead to difference of aggregation behaviors.
文摘An energetic salt of bis(l,5-diamino-lH-tetrazolium)3,3"-bis(nitramino)-4, 4x-azo- furazan (C6H10N2206) was synthesized with the total yield of 61.7% by using 3,4-diaminofurazan (DAF) as the starting material. The structure of the title compound was confirmed by NMR, IR, elemental analysis and single-crystal X-ray diffraction. It crystallizes in orthorhombic, space group P21/c with a = 10.739(2), b = 6.4765(12), c = 14.138(3) A, fl= 108.787(3)°, V= 930.9(3) A3, Z = 1, Mr= 486.36, Dc = 1.735 g.cm3, μ= 0.15 mm-1, F(000) = 496, R = 0.042 and wR = 0.121. The thermal stability was analyzed by subsequently differential scanning calorimetry (DSC). And the enthalpy of formation and detonation was calculated theoretically, showing the first decomposition temperature was 142.1℃, the enthalpy of formation was 1614.23 kJ.mol1 and the detonation velocity and detonation pressure were 8.781 km.s-1 and 30.7 GPa, respectively.
文摘We have prepared the 2-(quinolin-8-yloxy)-acetic acid and characterized it by infrared and Raman spectroscopies in the solid phase. The Density Functional Theory (DFT) method, together with the 6-31G^* and 6-311++ G^** basis sets, show that three stable molecules, for the anhydrous and monohydrated compounds were theoretically determined in the gas phase, and that probably the two more stable conformations are present in the solid phase of the monohydrated compound. The harmonic vibrational wavenumbers for the optimized geometries were calculated at B3LYP/6-31G^*and B3LYP/6-311++G^** levels. For a complete assignment of all the observed bands in the vibrational spectra the DFT calculations were combined with Pulay's scaled quantum mechanical force field (SQMFF) methodology in order to fit the theoretical Wavenumber values to the experimental ones. The characteristics of the electronic delocalization of all structures of both forms were performed by using natural bond orbital (NBO), while the corresponding topological properties of electronic charge density are analysed by employing Bader's atoms in molecules theory (AIM).
文摘The title compound Ph3P=C(H)C(O)PhNO2 (L) has been prepared by the addition of triphenylphosphine in acetone as solvent to 2-bromo-1-(3,nitrophenyl)ethanone followed by the addition of alkaline solution of sodium hydroxide. The yellow crystals of the title ylide were grown in methanol/chloroform solution by drop method without stirring at room temperature. The solid state structure of ylide has been established by X-ray crystallography analysis. In the molecule of the title compound, the geometry around the P atom is nearly tetrahedral and the O atom is in synperiplanar orientation to the P atom. The nitrophenyl ring is twisted with respect to the plane of the carbonyl group through an angle of 36.6(1)°. The crystal (C26H20NO3P, Mr = 425.40) belongs to the monoclinic system, space group P21/n with a = 10.889(3), b = 14.467(3), e = 13.872(4)A, β = 103.08(3)°, V = 2128.6(10) A3, Z= 4, T= 100(2) K, R = 0.059 and wR = 0.163 for 3984 observed reflections with I〉 2σ(I).
文摘This paper summarizes the new developments in the study of barium rare-earth fluor-carbonate mineral structures .The second order superstructure of cebaite -(Ce ) was solved by using high power X-ray single crystal diffractometer . Five kinds of coordination forms were found . All atoms in the cell , including C and F , were properly located . In the process of study in a cordylite-(Ce ), a new mineral was discovered , whose chemical formula is (Ca0.5□0.5) BaCe2 (CO3)4F . It is isostructural with baiyuneboite - (Ce ), but different in composition (Na in baiyuneboite- (Ce ) is substituted by Ca disorderly ) . On the basis of the studies a proposal to re-define cordylite-(Ce )as a mineral group name is put forth by the authors . Finally a new type of twinning of huanghoite-(Ce ) was found on the systematical absence of diffraction data by means of a single crystal diffractometer .
基金supports from the National Basic Research Program of China(No. 2003CB 114407)
文摘A series of novel 2-(1-substituted-1,11-undecylidene)-5-arylimino-△^3-1,3,4-thiadiazolines (4) were synthesized and their structure was characterized by ^1H NMR, ^13C NMR and elemental analysis. Their solubility in both polar and non-polar solvents is significantly improved owing to the introduction of ethyl or methylthio group at cyclododecyl ring as compared with parent compounds [1, 2-(1,11-undecylidene)-5-arylimino-△^3-1,3,4-thiadiazolines]. However, their fungicidal activity against Rhizoctonia solani is less than that of parent compounds. X-ray diffraction analysis of a representative compound (4d) showed that the conformation of 12-membered ring is still [3333], in which the ethyl group present at the side-exo position and the thiadiazoline ring at the comer carbon. The thiadiazoline plane is perpendicular to the cyclododecyl one.
文摘The protein family of 14-3-3(s) has risen to a position of higher importance as an adaptor protein in cell biology. The seven highly conserved human 14-3-3 proteins coordinate diverse cellular processes including apoptosis, DNA damage response, protein trafficking, and others. In liver hepatocytes, 14-3-3β binds to Ser196-phosphorilated glucose-responsive carbohydrate response element-binding protein (ChREBP) to inhibit converting excess carbohydrate to fat by regulating the nuclear/cytosol trafficking of ChREBP. Here, we report X-ray crystal structures of homodimeric mammalian 14-3-3β in its apo, Malate-bound forms. The determined apo structure was captured with one monomer in the closed state, whereas the other one had an open conformation. Strikingly, 14-3-3β binds Malate dynamically with a double-closed state, which is distinct from all previously characterized 14-3-3(s) and target ligand-binding modes. Malate docks into a first-time observed cofactor pocket located at the concaved interface of 14-3-3β helices α2, α3, α4 through mainly electrostatic and hydrogen interactions. Such a Tricarboxylic Acid Cycle intermediate Malate bond model might offer a new approach to further analyze insulin-independent 14-3-3/ChREBP pathway of de novo fat synthesis in the liver.
文摘The model based on Marxism economics such as capital structure ,capital deposit and capital cycles measure directly natural rate of the unemployment. The natural rate of unemployment is decided by the capital per worker, capital structure and average wage. According to the model the natural rate of the unemployment is empirical from 1991 to 2009.the result shows that the ascendant trend is very obvious. At last, according to the model, adjusting economic structure and regulating income distribution can reduce natural rate of unemployment.
基金Sponsored bythe National Natural Science Foundation of China (20331010 , 20201007 and 90406002) Specialized Research Fund for theDoctoral Programof Higher Education (20030007014)
文摘The single crystal of bi(8-hydroxyquinoline) bihydrated cobalt (Ⅱ) complex, [ Co(Q)2 (H2O2 ] (Q = 8-hydroxyquinoline ion), has been synthesized by general method and structurally characterized by single crystal X-ray diffraction. Crystal data: C18H16CoN2O4, monoclinic, C2/c, α = 1.336 2(4) nm, b = 0.941 2(3) nm, c = 1.354 3(4) nm, β= 109.672(4)°, Z = 4. In the complex, Co( Ⅱ ) ion is six-coordinated, forming a distorted octahedron. H-bonding and π-π stacking interaction play a significant role to form and stabilize the three-dimensional structure.
基金the National Natural Science Foundation of China
文摘Two-dimensional bulge/disk light decomposition with GIM2D in both the r- and g-bands has been applied to a sample of 129 early-type galaxies brighter than 13.5 magnitude in the r-band, selected from the Sloan Digital Sky Survey Data Release 2. Intensity-weighted Fourier coefficient (α4/α) was also derived for each sample galaxy. Our analysis shows that there are correlations between bulge-to-total light ratio (B/T) with bulge Sersic index nB and between bulge and disk scale sizes. Isophotal shape parameter (α4/α) is not correlated with BIT and riB. Both bulge and disk components satisfy a color-magnitude relation. The space Fundamental Plane analysis shows that galaxies with larger B/T tend to lie tighter and closer to the line of k1 + k2 = 8 (the so-called "zone of avoidance") than the galaxies with smaller B/T. It indicates that existence of the disk component may lead to scatter of the distribution on the Fundamental Plane. Our analysis also shows that k1 + k2 correlates with (g-r) color and B/T, but does not correlate with (α4/α) for early-type galaxies. The fitted parameters and other retrieved parameters used in this paper for all sample galaxies are available online.
基金Supported by the Scientific Research Personnel of Northeast Agricultural University(518001)。
文摘Talin-1 head(hereinafter referred to as TH)is the head structure of talin protein,which contains a four-point-one-protein/ezrin/radixin/moesin(FERM)domain.Its F1 domain contains an unstructured loop of 30 amino acids(139-168),which does not interact with other domains.Because TH doesn’t get the crystal structure and whether the unstructured loop has obvious influence on the TH secondary structure,therefore,the truncated talin-1 headΔ139-168(hereinafter referred to as THΔ)was constructed and its structure and the impact of stability after truncation were analyzed.Molecular biology and structural biology methods were used to construct prokaryotic expression vectors of TH and THΔ,explore and optimize the expression conditions of recombinants,and they were purified by affinity chromatography and FPLC gel filtration chromatography.Finally,a large number of stable,high-purity protein samples were prepared successfully.The physicochemical properties and structural stability of the proteins were investigated by dynamic light scattering and circular dichroism.The results showed that the THΔsecondary structure of the truncated body did not change significantly,the structural stability was enhanced and the resistance to guanidine hydrochloride and high temperature was stronger.
文摘Based on the latest demographic and labor data, this paper reveals the changes in China's labor supply and demonstrates that China's key employment issues are no longer quantitative contradictions but increasingly have become structural issues related to labor market mismatch. Due to real and potential economic growth rates being consistent, cyclical unemployment is, at least for now, not striking. If traditional policy measures continue to be followed in disregard of frictional and structural attributes of the labor market to increase total employment, not only will China's employment issues persist but new labor market problems may arise as well China should focus on addressing structural unemployment contradictions.
基金Supported by the Project for High-level Talents of Qinghai University (2008-QGC-7)~~
文摘[Objective] This study aimed to predict the structure of protein OmpH from Pasteurella multocida C47-8 (PmC47-8) strain of yak. [Method] Online BLAST, signal peptide prediction, secondary structure prediction and protein characteristics of sequencing result of gene OmpH from PmC47-8 strain were analyzed. [Result] The similarities of gene OmpH from PmC47-8 with the published 81 OmpH genes were between 84% and 99%; a signal peptide was found with the cleavage sites between 20 and 21 in the polypeptide; secondary structure prediction showed that folding structure accounted for 49.8% and loop structure for 50.2%; it predicted that there were 7 O-glycosylation sites in OmpH protein with the amino acid residual sites of 2, 45, 48, 330, 716, 721, 723, respectively, and 2 N-glycosylation sites with the amino acid residual sites of 15 and 35. [Conclusion] This study lays the foundation for the study on the immunity of OmpH gene from yak.
基金supported by the National Natural Science Foundation of China (10872096)the Open Fund of State Key Laboratory of Explosion Science and Technology,Beijing Institute of Technology (KFJJ09-13)
文摘An oblique detonation wave for a Mach 7 inlet flow over a long enough wedge of 30 turning angle is simulated numerically using Euler equation and one-step rection model.The fifth-order WENO scheme is adopted to capture the shock wave.The numerical results show that with the compression of the wedge wall the detonation wave front structure is divided into three sections:the ZND model-like strcuture,single-sided triple point structure and dual-headed triple point strucuture.The first structure is the smooth straight,and the second has the characteristic of the triple points propagating dowanstream only with the same velocity,while the dual-headed triple point structure is very complicated.The detonation waves facing upstream and downstream propagate with different velocities,in which the periodic collisions of the triple points cause the oscillation of the detonation wave front.This oscillation process has temporal and spatial periodicity.In addition,the triple point trace are recorded to obtain different cell structures in three sections.
基金A Project supported by the National Natural Science Foundation of China (Nos.9487001,49173131)
文摘The continental margin of Northeast China and its adjacent areas is composed of two tectonic belts. The inner belt is a collage made up of fragments resulting from breakup of an old land with the north part related to the evolution of the Palaeo-Asian Ocean and the south part to the evolution of the Palaeo - Pacific Ocean. The outer belt is a Mesozoic terrane, which is a melange made up of fragments of the Late Palaeozoic to Early Mesozoic oceanic crust and the Late M esozoic trench accumulations.There existed another ocean-the Palaeo - Pacific Ocean during the period from the closing of the Palaeo-Asian Ocean to the opening of the modern Pacific Ocean or from the Devonian to Jurassic, and the ocean-floor spreading of the Palaeo - Pacific Ocean led to the formation of the above-mentioned tectonic belts. The development of the strike-slip fault system after the Late Jurassic and the formation of an epicontinental volcano -plutonic rock belt in the Late Cretaceous to Early Tertiary are attributed to the interaction between the modern Pacific plate and the Eurasian plate.