The exploratory synthesis and structural characterization of twodimensional(2D)honeycomb structured Ru-based compounds are key focuses in inorganic materials research,due to the various exotic electronic states arisin...The exploratory synthesis and structural characterization of twodimensional(2D)honeycomb structured Ru-based compounds are key focuses in inorganic materials research,due to the various exotic electronic states arising from the interplay of electron correlations and spinorbit coupling.Among these compounds,α-RuCl_(3) and RuBr_(3) are considered as the most promising candidates for quantum spin liquid(QSL)materials[1–3].As a homolog,α-RuI3 has attracted significant interest,but it still remains relatively unexplored.Recently,it was synthesized by high-temperature and high-pressure solid-state reaction,but reported to be different crystal structures by independent groups.Ni et al.and Nawa et al.considerα-RuI3 to be R-3(3R)and P-31c(2H)space group,respectively[4,5].Both structures have typical 2D characteristics,in which the edge-sharing RuI6 octahedra form honeycomb layers stacked along the c-axis.The primary difference lies in that the honeycomb layers stack in ABCABC mode in the 3R phase,while in ABAB mode in the 2H phase(Fig.S1).Yang et al.discussed the stability of 3R and 2H polymorphs in terms of the total energies and dynamics,finding both structures are stable.However,the total energy of the 2H phase is slightly higher,2.58 meV than that of the 3R analog[6].When it comes to the conductivity behaviour,α-RuCl3 andα-RuBr_(3) are semiconductors as normally observed in QSL materials.In contrast,α-RuI_(3) exhibits metallic response.In 2D materials,the band structure may be drastically modified by altering the stacking order[7].Hence,determining the crystal structure ofα-RuI_(3) is urgently required,which is a key step in comprehensive and in-depth analysis of its physical properties.展开更多
The multiple oligopeptides have been regarded as promising alignment media due to their structural diverseness and tendency for self-assembly in solution.Herein,an assembled amphiphilic peptide alignment medium,i.e.,C...The multiple oligopeptides have been regarded as promising alignment media due to their structural diverseness and tendency for self-assembly in solution.Herein,an assembled amphiphilic peptide alignment medium,i.e.,C15eCONH-Phg-Phg-IIIKK-CONH2 with un-natural amino acids for the determination of anisotropic parameters of NMR is introduced.The amphiphilic peptide can be self-assembled at low concentrations in DMSO and is stable and highly homogeneous.The NMR spectrum collected with the addition of the medium had fewer background signals.The utility of the acquired RDC data is demon-strated to determine relative configuration of three natural products,Helminthosporic acid,Estrone,and a-Santonin.展开更多
The polysaccharides from Sepia esculenta ink are potential candidates for biomedical applications due to their functional properties.In our study,a heteropolysaccharide,SE-1,isolated from Sepia esculenta ink,had a mol...The polysaccharides from Sepia esculenta ink are potential candidates for biomedical applications due to their functional properties.In our study,a heteropolysaccharide,SE-1,isolated from Sepia esculenta ink,had a molecular weight of 13.1 kDa and a monosaccharide composition of Man:GlcN:GlcUA:GalN:Xyl:Fuc=1.00:1.38:0.65:2.89:0.76:1.99.Through partial acid hydrolysis,me-thylation and one-and two-dimensional nuclear magnetic resonance(1D and 2D NMR)spectroscopic analyses,it is indicated that the structure of SE-1 consists of→4)-α-D-GlcpNAc-(1→,→4)-α-L-Fucp-(1→,→3)-α-D-GalpNAc-(1→,→2,6)-α-D-Manp-(1→and→3)-β-D-GlcpUA-(1→as the main chain and single terminalβ-D-Xylp-(1→,which links to O-2 of(1→2,6)-α-Manp,as the side chain.A new aminosugar-abundant heteropolysaccharide was isolated from S.esculenta ink for the first time.展开更多
To accomplish their functions, proteins have to achieve different conformations accompanied by conformational transitions. However, the relationship between the preference of amino acids and the stability of the secon...To accomplish their functions, proteins have to achieve different conformations accompanied by conformational transitions. However, the relationship between the preference of amino acids and the stability of the secondary structure is still unclear. Here we perform molecular simulations on a series of helical structures. Our data show that the dissociation energy of the helical structure is related to the preference of amino acids, and the electrostatic repulsion of the residue i and i ＋ 3/4 with the same sign of charge destabilizes the alpha helix.展开更多
Depressive symptoms in adolescents are an increasing public health issue in Sweden and in most Western countries. Aim: To explore how individual, psychosocial, and structural determinants are associated with depressiv...Depressive symptoms in adolescents are an increasing public health issue in Sweden and in most Western countries. Aim: To explore how individual, psychosocial, and structural determinants are associated with depressive symptoms in Swedish adolescents. Methods: A web-based questionnaire was answered by 1193 13- to 16-year-old boys (n = 566) and girls (n = 627). Stepwise logistic regressions were employed to analyse the association between depressive symptoms and various determinants at the individual level (self-efficacy), the psychosocial level (parental, peer, and teacher support, school demands, sexual harassment, and bullying) and the structural level (family affluence, having less money than friends, and parental foreign background). Results: Determinants at the individual, psychosocial, and structural levels were independently associated with high levels of depressive symptoms in both boys and girls. The full model explained a high proportion of the variance in depressive symptoms in both genders;34.1% in boys and 36.8% in girls. The psychosocial level contributed the most to explaining the variance in depressive symptoms in boys. In girls, when harassment variables were separated from psychosocial variables, the harassment variables contributed as much to the full model as the rest of the psychosocial variables combined. Conclusions: Addressing psychosocial determinants provides the greatest benefits for preventing depressive symptoms in adolescents. Acknowledging the association between sexual harassment and depressive symptoms for girls and having less money than their friends for boys and girls are particularly important.展开更多
Metal–organic frameworks(MOFs) are crystalline porous materials with tunable properties, exhibiting great potential in gas adsorption, separation and catalysis.[1,2]It is challenging to visualize MOFs with transmissi...Metal–organic frameworks(MOFs) are crystalline porous materials with tunable properties, exhibiting great potential in gas adsorption, separation and catalysis.[1,2]It is challenging to visualize MOFs with transmission electron microscopy(TEM) due to their inherent instability under electron beam irradiation. Here, we employ cryo-electron microscopy(cryoEM) to capture images of MOF ZIF-8, revealing inverted-space structural information at a resolution of up to about 1.7A and enhancing its critical electron dose to around 20 e^(-)/A^(2). In addition, it is confirmed by electron-beam irradiation experiments that the high voltage could effectively mitigate the radiolysis, and the structure of ZIF-8 is more stable along the [100] direction under electron beam irradiation. Meanwhile, since the high-resolution electron microscope images are modulated by contrast transfer function(CTF) and it is difficult to determine the positions corresponding to the atomic columns directly from the images. We employ image deconvolution to eliminate the impact of CTF and obtain the structural images of ZIF-8. As a result, the heavy atom Zn and the organic imidazole ring within the organic framework can be distinguished from structural images.展开更多
Aim To study the chemical constituents from the roots and rhizomes of Clematis hexapetala Pall.. Methods The components were isolated by means of solvent extraction, repeated chromatography with silica gel, sephadex L...Aim To study the chemical constituents from the roots and rhizomes of Clematis hexapetala Pall.. Methods The components were isolated by means of solvent extraction, repeated chromatography with silica gel, sephadex LH-20 and prep-HPLC. The structures were determined by spectrum analysis. Results Twelve flavonoids were isolated and their structures were identified as 3, 5, 6, 7, 8, 3＇, 4＇-heptamethoxyflavone （1）, nobiletin （2）, liquiritigenin （3）, hesperetin （4）, naringenin （5）, liquiritigen-7-O-β-D-glucopyranoside （6）, 5,7, 4＇ -trihydroxy-3＇- methoxyflavanone -7-O-α-L-rhamnopyranosyl （ 1→6 ） -β-D-glucopyranoside （7）, 6-hydroxybiochain A （ 8）, formononetin （9）, daidzein （10）, genistein （11）, and tectoridin （12）. Conclusion All the said compounds were isolated from the plant for the first time.展开更多
Semiaquilegia adoxoides ( DC. ) Makino ( Chinese name ''Tian-Kui-Zi'' ) , theonly species of genus Semiaquilegia, belongs to the Ranunculaceae family. As a perennial herbaceousplant, both the aerial pa...Semiaquilegia adoxoides ( DC. ) Makino ( Chinese name ''Tian-Kui-Zi'' ) , theonly species of genus Semiaquilegia, belongs to the Ranunculaceae family. As a perennial herbaceousplant, both the aerial parts and the roots are used in traditional Chinese medicine for differentmedications. The roots are often used to treat inflammation, snake bite, bruises and injuries,tonsillitis, mastitis, scrofula, and cancer for their antibacterial, anti-inflammatory, andantineoplastic activities. The aerial parts are used for the treatment of mastitis, bruises, andheart diseases, such as endomyocarditis. The medicinal usage of this plant prompted us toinvestigate its chemical constituents. As a result, nine compounds 1-9 ( see Figure 1) were isolatedfrom the roots of S. adoxoides. Among them, compounds 1-7 and 9 were isolated from the genusSemiaquilegia for the first time.展开更多
Chemical investigation on the medicinal fungus Ganoderma australe led to the identification of ten new nor-lanostane triterpenes,namely two hexa-nor ones,ganoaustratetraenones A(1)and B(2),five penta-nor ones,ganoaust...Chemical investigation on the medicinal fungus Ganoderma australe led to the identification of ten new nor-lanostane triterpenes,namely two hexa-nor ones,ganoaustratetraenones A(1)and B(2),five penta-nor ones,ganoaustraldehydes A-E(3-7),and three tetra-nor ones ganoaustrenoic acids A-C(8-10).The chemical structures along with the absolute configurations were determined by extensive spectroscopic analysis of 1D&2D NMR and HRESIMS data.The postulated biosynthesis pathways of these compounds were proposed.Ganoaustraldehydes A(3)and B(4)showed moderate inhibition against nitric oxide production in RAW264.7 macrophage cells with the respec-tive IC_(50) values of 32.5,34.2μM(the IC_(50) of positive control pyrrolidine dithiocarbamate was 20.0μM).展开更多
The crystal structure of [Co(NH3)5Br]Br2 has been determined ab initio from the conventional X-ray powder diffraction data. The approximate structure with all 7 indeyendent non-H atoms was solved by direct methods. Th...The crystal structure of [Co(NH3)5Br]Br2 has been determined ab initio from the conventional X-ray powder diffraction data. The approximate structure with all 7 indeyendent non-H atoms was solved by direct methods. The final orthorhombic unit-cell parameters after Rietveld refinement are: a=13.6927, b=10.7071, c=6.9400A, V=1017.47A3, F30=93(0.0075,43), M20=49, Z=4. Space group is Pnma. The structure agreement factors are: Rp=0.066,Rwp=0.090, RF=0.041, RB=0.042.展开更多
The paper investigates the determinants of capital structure in Nigerian listed insurance firms using data obtained from annual report of the sampled firms for the period of 2001-2010. It used five explanatory variabl...The paper investigates the determinants of capital structure in Nigerian listed insurance firms using data obtained from annual report of the sampled firms for the period of 2001-2010. It used five explanatory variables to measure their effects on debt ratio. Multiple regression is employed as a tool of analysis. The result reveals that all the explanatory variables have statistically and significantly influenced the explained variable. The results approve the prediction of pecking order theory in the case of profitability and trade-off theory in case of tangibility variables. The growth variable supports the agency theory hypothesis whereas size variable confirms to the asymmetry of information theory. It is therefore recommended that the management of listed insurance firms in Nigeria should always consider their positions using these capital structure determinants as important inputs before embarking on debt financing decision.展开更多
Aim To synthesize a new water-soluble Na 2(C15H8O5)(SO3) 2 and determine its structure.Method The new water-soluble apigenin sulfonated derivative was synthesized by sulfonation with concentrated sulfuric acid at 40℃...Aim To synthesize a new water-soluble Na 2(C15H8O5)(SO3) 2 and determine its structure.Method The new water-soluble apigenin sulfonated derivative was synthesized by sulfonation with concentrated sulfuric acid at 40℃for half an hour and the products were obtained in ethanol-water(V∶V =1∶1).The structure of the product was identified by IR,NMR spectrum and elemental analysis.Results and Conclusion After highly selective introduced two - SO 3 groups at C3′and C6of the substrate,the new water-soluble apigenin sulfonated derivative,sodium 5,7,4 '-trihydroxyflavone-6,3′-sulfonate was obtained in good yield(78%) at moderate conditions.This method is an ideal synthesis way because of its simple operation,mild reaction conditions,high selectivity,easy separation of the product and higher yield.展开更多
After the recent publication in the Journal of Biophysical Chemistry entitled “Retracted HIV Study Provides New Information about the Status of the in Vitro Inhibition of DNA Replication by Back-bone Methylation”, i...After the recent publication in the Journal of Biophysical Chemistry entitled “Retracted HIV Study Provides New Information about the Status of the in Vitro Inhibition of DNA Replication by Back-bone Methylation”, it is of importance to review the results of Buck’s group on the synthesis and conformation analyses of phosphate-methylated RNAs in order to afford information on the absence of a further investigation with regard to this de facto acceptable approach. In fact these compounds belong to the very first group of RNAs with a modified neutral backbone by phosphatemethylation. In contrast to the corresponding phosphate-methylated DNAs with a frozen B-conformation, the phosphate-methylated RNAs show an A-conformation. The latter is a prerequisite for duplex formation with (complementary) (natural) RNA. A number of experiments support this fundamental statement. After the HIV study was retracted, the overall results concerning the phosphate-methylated RNAs were published without mentioning Buck’s initial proof of concept and his contributions. Generally, the (modified) dimer RNAs and DNAs possess a number of specific biophysical properties. A novel explanation is given for conflicting structural determinations.展开更多
The solid solutions of CdYFeWO7,which are cubic pyrochlores of the type A2B2O7,have been prepared and their structures were determined using Ab initio method.Rietveld refinement of the powder XRD data showed that CdYF...The solid solutions of CdYFeWO7,which are cubic pyrochlores of the type A2B2O7,have been prepared and their structures were determined using Ab initio method.Rietveld refinement of the powder XRD data showed that CdYFeWO7 adopted cubic(Fd-3m) structure,while oxides crystallized in a defect-pyrochlore structure where both O(48f) and O (8b) sites were partially occupied,and the frustrated cations sublattice precluded long range ordering of Fe/W in the pyrochlore structure.Charge distribution analysis also sug...展开更多
In this review,we present a brief overview on the recent advances in Angstr6m-resolved tip-enhanced Raman spectromicroscopy.We first introduce the theoretical understanding of the confinement of light at the atomistic...In this review,we present a brief overview on the recent advances in Angstr6m-resolved tip-enhanced Raman spectromicroscopy.We first introduce the theoretical understanding of the confinement of light at the atomistic scale,and explain how the Raman scattering from a single molecule happens under the“illumination”of such an atomically confined light.Then we describe the latest developments on Angstr6m-resolved tipenhanced Raman spectromicroscopy,particularly on a new methodology called“scanning Raman picoscopy”for visually cons true ting the chemical st ruc ture of a single molecule in real space.Finally,we give a perspective of this technique in various applications where iden ti fying the chemical st ruc tu res of mat erials at the chemical bond level is required.展开更多
Two complexes,NdL_3·2C_2H_5OH and NdL_3·2H_2O where L=cyclohexane-carboxylate anion,were synthesized and the structure of the former was determined by the single-crystal X-ray diffration method. The crystal ...Two complexes,NdL_3·2C_2H_5OH and NdL_3·2H_2O where L=cyclohexane-carboxylate anion,were synthesized and the structure of the former was determined by the single-crystal X-ray diffration method. The crystal is triclinic,Pspace group with the cell parameters:a=1.2385(6),b=1.2385(6),c=0.9421(5) nm.α=91.69(4)°,β=98.49(4)°,γ=99.16(5)°,Z=2,V=1.436 nm^3.The structure was refined to R value of 0.0866.Each Nd atom is connected with other two Nd atoms by two bidentate and two tridentate carboxyl groups to form a linear polymer.The Nd atom is further coordinated by a chelating carboxyl and two ethanol molecules.So the central atom is nine-coordinated with a distorted monocapped square-antiprism geometry.The infrared spectra and the thermal analysis of the complexes were also studied.展开更多
A new compound. methyl 4. 6-O-benzylidene-a-D-glucopyranoside 2. 3-cyclicphosphite ethyl ester was synthesized via the reaction of methyl 4. 6-O-benzylidene-a-D-glucopyranoside and ethyl dichlorophosphite. Its structu...A new compound. methyl 4. 6-O-benzylidene-a-D-glucopyranoside 2. 3-cyclicphosphite ethyl ester was synthesized via the reaction of methyl 4. 6-O-benzylidene-a-D-glucopyranoside and ethyl dichlorophosphite. Its structure was confirmed by NMR and MSspectral methods.展开更多
A new Mutactimycin group antibiotic(XF-1)was isolated from the mycelium of Streptomyces sp.80-115 and its structure has been determined on the basis of its spectroscopical and chemical properties. XF-1 showed active a...A new Mutactimycin group antibiotic(XF-1)was isolated from the mycelium of Streptomyces sp.80-115 and its structure has been determined on the basis of its spectroscopical and chemical properties. XF-1 showed active against some Gram positive bacteria.展开更多
The compound of dimethyl trans-3-（2-bromophenyl）-2-methylisoxazolidine-4,5-dicarboxylate has been synthesized and characterized by IR, 1H-NMR, 13C-NMR, 2D-NMR （COSY, NOESY, HMQC, HMBC） and UV-vis. spectroscopy tec...The compound of dimethyl trans-3-（2-bromophenyl）-2-methylisoxazolidine-4,5-dicarboxylate has been synthesized and characterized by IR, 1H-NMR, 13C-NMR, 2D-NMR （COSY, NOESY, HMQC, HMBC） and UV-vis. spectroscopy techniques and single-crystal X-ray diffraction （XRD）. The biological activities of the title compound have been investigated in detail. The new compound crystallizes in monoclinic, space group C2/c with a = 26.9263（10）, b = 7.0970（2）, c = 19.8554（7） ？, and β = 126.630（2）. In addition to the single crystal structure, the molecular geometry, vibrational frequencies, chemical shifts, molecular electrostatic potential and frontier molecular orbital analysis of the title compound in the ground state have been calculated by Density Functional Theory （DFT） method.展开更多
An alkaloid with a novel structure,named Hypodematine,was isolated from Hypodematium sinense Iwatsuki(belonging to Thelypterdaceae).Its structure was elucidated by means of the ~1H-~1H COSY' ~1H-^(13)C COSY and lo...An alkaloid with a novel structure,named Hypodematine,was isolated from Hypodematium sinense Iwatsuki(belonging to Thelypterdaceae).Its structure was elucidated by means of the ~1H-~1H COSY' ~1H-^(13)C COSY and long-range ~1H-^(13)C COSY spectroscopy to have the skeleton of benzo-aza-cyclooctatetraene with a phenyl substituent.Such basic structure has not been found in the na- tural product before.展开更多
基金supported by the National Natural Science Foundation of China(No.22090041)the Program for Guangdong Introducing Innovative and Entrepreneurial Teams(No.2017ZT07C069)+1 种基金the Guangdong Basic and Applied Basic Research Foundation(No.2022B1515120014)the Natural Science Foundation of Zhejiang Province(No.LQ21A040010).
文摘The exploratory synthesis and structural characterization of twodimensional(2D)honeycomb structured Ru-based compounds are key focuses in inorganic materials research,due to the various exotic electronic states arising from the interplay of electron correlations and spinorbit coupling.Among these compounds,α-RuCl_(3) and RuBr_(3) are considered as the most promising candidates for quantum spin liquid(QSL)materials[1–3].As a homolog,α-RuI3 has attracted significant interest,but it still remains relatively unexplored.Recently,it was synthesized by high-temperature and high-pressure solid-state reaction,but reported to be different crystal structures by independent groups.Ni et al.and Nawa et al.considerα-RuI3 to be R-3(3R)and P-31c(2H)space group,respectively[4,5].Both structures have typical 2D characteristics,in which the edge-sharing RuI6 octahedra form honeycomb layers stacked along the c-axis.The primary difference lies in that the honeycomb layers stack in ABCABC mode in the 3R phase,while in ABAB mode in the 2H phase(Fig.S1).Yang et al.discussed the stability of 3R and 2H polymorphs in terms of the total energies and dynamics,finding both structures are stable.However,the total energy of the 2H phase is slightly higher,2.58 meV than that of the 3R analog[6].When it comes to the conductivity behaviour,α-RuCl3 andα-RuBr_(3) are semiconductors as normally observed in QSL materials.In contrast,α-RuI_(3) exhibits metallic response.In 2D materials,the band structure may be drastically modified by altering the stacking order[7].Hence,determining the crystal structure ofα-RuI_(3) is urgently required,which is a key step in comprehensive and in-depth analysis of its physical properties.
基金supported by the National Natural Science Foundation of China(21874158)the Science and Technology Major Program of Gansu Province of China(22ZD6FA006 and 23ZDFA015)+1 种基金We are also grateful for the financial support from the Science and Technology Program of Henan Province(232102311180)the foundation for the University Young Key Teacher of Henan Province(2024GGJS116).
文摘The multiple oligopeptides have been regarded as promising alignment media due to their structural diverseness and tendency for self-assembly in solution.Herein,an assembled amphiphilic peptide alignment medium,i.e.,C15eCONH-Phg-Phg-IIIKK-CONH2 with un-natural amino acids for the determination of anisotropic parameters of NMR is introduced.The amphiphilic peptide can be self-assembled at low concentrations in DMSO and is stable and highly homogeneous.The NMR spectrum collected with the addition of the medium had fewer background signals.The utility of the acquired RDC data is demon-strated to determine relative configuration of three natural products,Helminthosporic acid,Estrone,and a-Santonin.
基金funded by the Natural Science Founda-tion of Zhejiang Province,China(No.LTGS23D060001)the Scientific Research Foundation for the Introduc-tion of Talent of Zhejiang Ocean University(No.JX6311130823).
文摘The polysaccharides from Sepia esculenta ink are potential candidates for biomedical applications due to their functional properties.In our study,a heteropolysaccharide,SE-1,isolated from Sepia esculenta ink,had a molecular weight of 13.1 kDa and a monosaccharide composition of Man:GlcN:GlcUA:GalN:Xyl:Fuc=1.00:1.38:0.65:2.89:0.76:1.99.Through partial acid hydrolysis,me-thylation and one-and two-dimensional nuclear magnetic resonance(1D and 2D NMR)spectroscopic analyses,it is indicated that the structure of SE-1 consists of→4)-α-D-GlcpNAc-(1→,→4)-α-L-Fucp-(1→,→3)-α-D-GalpNAc-(1→,→2,6)-α-D-Manp-(1→and→3)-β-D-GlcpUA-(1→as the main chain and single terminalβ-D-Xylp-(1→,which links to O-2 of(1→2,6)-α-Manp,as the side chain.A new aminosugar-abundant heteropolysaccharide was isolated from S.esculenta ink for the first time.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11247010,11175055,11475053 and 11347017the Natural Science Foundation for Distinguished Young Scholars of Hebei Province under Grant No C2015202340+1 种基金the Natural Science Foundation of Hebei Province under Grant Nos C2012202079 and C201400305the Scientific Innovation Fund for Excellent Young Scientists of Hebei University of Technology under Grant No 2015010
文摘To accomplish their functions, proteins have to achieve different conformations accompanied by conformational transitions. However, the relationship between the preference of amino acids and the stability of the secondary structure is still unclear. Here we perform molecular simulations on a series of helical structures. Our data show that the dissociation energy of the helical structure is related to the preference of amino acids, and the electrostatic repulsion of the residue i and i ＋ 3/4 with the same sign of charge destabilizes the alpha helix.
文摘Depressive symptoms in adolescents are an increasing public health issue in Sweden and in most Western countries. Aim: To explore how individual, psychosocial, and structural determinants are associated with depressive symptoms in Swedish adolescents. Methods: A web-based questionnaire was answered by 1193 13- to 16-year-old boys (n = 566) and girls (n = 627). Stepwise logistic regressions were employed to analyse the association between depressive symptoms and various determinants at the individual level (self-efficacy), the psychosocial level (parental, peer, and teacher support, school demands, sexual harassment, and bullying) and the structural level (family affluence, having less money than friends, and parental foreign background). Results: Determinants at the individual, psychosocial, and structural levels were independently associated with high levels of depressive symptoms in both boys and girls. The full model explained a high proportion of the variance in depressive symptoms in both genders;34.1% in boys and 36.8% in girls. The psychosocial level contributed the most to explaining the variance in depressive symptoms in boys. In girls, when harassment variables were separated from psychosocial variables, the harassment variables contributed as much to the full model as the rest of the psychosocial variables combined. Conclusions: Addressing psychosocial determinants provides the greatest benefits for preventing depressive symptoms in adolescents. Acknowledging the association between sexual harassment and depressive symptoms for girls and having less money than their friends for boys and girls are particularly important.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12074409 and 12374021)。
文摘Metal–organic frameworks(MOFs) are crystalline porous materials with tunable properties, exhibiting great potential in gas adsorption, separation and catalysis.[1,2]It is challenging to visualize MOFs with transmission electron microscopy(TEM) due to their inherent instability under electron beam irradiation. Here, we employ cryo-electron microscopy(cryoEM) to capture images of MOF ZIF-8, revealing inverted-space structural information at a resolution of up to about 1.7A and enhancing its critical electron dose to around 20 e^(-)/A^(2). In addition, it is confirmed by electron-beam irradiation experiments that the high voltage could effectively mitigate the radiolysis, and the structure of ZIF-8 is more stable along the [100] direction under electron beam irradiation. Meanwhile, since the high-resolution electron microscope images are modulated by contrast transfer function(CTF) and it is difficult to determine the positions corresponding to the atomic columns directly from the images. We employ image deconvolution to eliminate the impact of CTF and obtain the structural images of ZIF-8. As a result, the heavy atom Zn and the organic imidazole ring within the organic framework can be distinguished from structural images.
文摘Aim To study the chemical constituents from the roots and rhizomes of Clematis hexapetala Pall.. Methods The components were isolated by means of solvent extraction, repeated chromatography with silica gel, sephadex LH-20 and prep-HPLC. The structures were determined by spectrum analysis. Results Twelve flavonoids were isolated and their structures were identified as 3, 5, 6, 7, 8, 3＇, 4＇-heptamethoxyflavone （1）, nobiletin （2）, liquiritigenin （3）, hesperetin （4）, naringenin （5）, liquiritigen-7-O-β-D-glucopyranoside （6）, 5,7, 4＇ -trihydroxy-3＇- methoxyflavanone -7-O-α-L-rhamnopyranosyl （ 1→6 ） -β-D-glucopyranoside （7）, 6-hydroxybiochain A （ 8）, formononetin （9）, daidzein （10）, genistein （11）, and tectoridin （12）. Conclusion All the said compounds were isolated from the plant for the first time.
基金Ministry of Science and Technology of People'sRepublic of China (No. 2004AA2Z3730)
文摘Semiaquilegia adoxoides ( DC. ) Makino ( Chinese name ''Tian-Kui-Zi'' ) , theonly species of genus Semiaquilegia, belongs to the Ranunculaceae family. As a perennial herbaceousplant, both the aerial parts and the roots are used in traditional Chinese medicine for differentmedications. The roots are often used to treat inflammation, snake bite, bruises and injuries,tonsillitis, mastitis, scrofula, and cancer for their antibacterial, anti-inflammatory, andantineoplastic activities. The aerial parts are used for the treatment of mastitis, bruises, andheart diseases, such as endomyocarditis. The medicinal usage of this plant prompted us toinvestigate its chemical constituents. As a result, nine compounds 1-9 ( see Figure 1) were isolatedfrom the roots of S. adoxoides. Among them, compounds 1-7 and 9 were isolated from the genusSemiaquilegia for the first time.
基金National Natural Science Foundation of China (grant numbers 21961142008,22177138) for fundings.
文摘Chemical investigation on the medicinal fungus Ganoderma australe led to the identification of ten new nor-lanostane triterpenes,namely two hexa-nor ones,ganoaustratetraenones A(1)and B(2),five penta-nor ones,ganoaustraldehydes A-E(3-7),and three tetra-nor ones ganoaustrenoic acids A-C(8-10).The chemical structures along with the absolute configurations were determined by extensive spectroscopic analysis of 1D&2D NMR and HRESIMS data.The postulated biosynthesis pathways of these compounds were proposed.Ganoaustraldehydes A(3)and B(4)showed moderate inhibition against nitric oxide production in RAW264.7 macrophage cells with the respec-tive IC_(50) values of 32.5,34.2μM(the IC_(50) of positive control pyrrolidine dithiocarbamate was 20.0μM).
文摘The crystal structure of [Co(NH3)5Br]Br2 has been determined ab initio from the conventional X-ray powder diffraction data. The approximate structure with all 7 indeyendent non-H atoms was solved by direct methods. The final orthorhombic unit-cell parameters after Rietveld refinement are: a=13.6927, b=10.7071, c=6.9400A, V=1017.47A3, F30=93(0.0075,43), M20=49, Z=4. Space group is Pnma. The structure agreement factors are: Rp=0.066,Rwp=0.090, RF=0.041, RB=0.042.
文摘The paper investigates the determinants of capital structure in Nigerian listed insurance firms using data obtained from annual report of the sampled firms for the period of 2001-2010. It used five explanatory variables to measure their effects on debt ratio. Multiple regression is employed as a tool of analysis. The result reveals that all the explanatory variables have statistically and significantly influenced the explained variable. The results approve the prediction of pecking order theory in the case of profitability and trade-off theory in case of tangibility variables. The growth variable supports the agency theory hypothesis whereas size variable confirms to the asymmetry of information theory. It is therefore recommended that the management of listed insurance firms in Nigeria should always consider their positions using these capital structure determinants as important inputs before embarking on debt financing decision.
文摘Aim To synthesize a new water-soluble Na 2(C15H8O5)(SO3) 2 and determine its structure.Method The new water-soluble apigenin sulfonated derivative was synthesized by sulfonation with concentrated sulfuric acid at 40℃for half an hour and the products were obtained in ethanol-water(V∶V =1∶1).The structure of the product was identified by IR,NMR spectrum and elemental analysis.Results and Conclusion After highly selective introduced two - SO 3 groups at C3′and C6of the substrate,the new water-soluble apigenin sulfonated derivative,sodium 5,7,4 '-trihydroxyflavone-6,3′-sulfonate was obtained in good yield(78%) at moderate conditions.This method is an ideal synthesis way because of its simple operation,mild reaction conditions,high selectivity,easy separation of the product and higher yield.
文摘After the recent publication in the Journal of Biophysical Chemistry entitled “Retracted HIV Study Provides New Information about the Status of the in Vitro Inhibition of DNA Replication by Back-bone Methylation”, it is of importance to review the results of Buck’s group on the synthesis and conformation analyses of phosphate-methylated RNAs in order to afford information on the absence of a further investigation with regard to this de facto acceptable approach. In fact these compounds belong to the very first group of RNAs with a modified neutral backbone by phosphatemethylation. In contrast to the corresponding phosphate-methylated DNAs with a frozen B-conformation, the phosphate-methylated RNAs show an A-conformation. The latter is a prerequisite for duplex formation with (complementary) (natural) RNA. A number of experiments support this fundamental statement. After the HIV study was retracted, the overall results concerning the phosphate-methylated RNAs were published without mentioning Buck’s initial proof of concept and his contributions. Generally, the (modified) dimer RNAs and DNAs possess a number of specific biophysical properties. A novel explanation is given for conflicting structural determinations.
基金supported by the National Natural Science Foundation of China (20771100, 20831004)CIAC, CAS (CX07QZJC30)
文摘The solid solutions of CdYFeWO7,which are cubic pyrochlores of the type A2B2O7,have been prepared and their structures were determined using Ab initio method.Rietveld refinement of the powder XRD data showed that CdYFeWO7 adopted cubic(Fd-3m) structure,while oxides crystallized in a defect-pyrochlore structure where both O(48f) and O (8b) sites were partially occupied,and the frustrated cations sublattice precluded long range ordering of Fe/W in the pyrochlore structure.Charge distribution analysis also sug...
基金This work was supported by the National Key R&D Program of China(No.2016YFA0200600)the National Natural Science Foundation of China,the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB36000000)the Anhui Initiative in Quantum Information Technologies.
文摘In this review,we present a brief overview on the recent advances in Angstr6m-resolved tip-enhanced Raman spectromicroscopy.We first introduce the theoretical understanding of the confinement of light at the atomistic scale,and explain how the Raman scattering from a single molecule happens under the“illumination”of such an atomically confined light.Then we describe the latest developments on Angstr6m-resolved tipenhanced Raman spectromicroscopy,particularly on a new methodology called“scanning Raman picoscopy”for visually cons true ting the chemical st ruc ture of a single molecule in real space.Finally,we give a perspective of this technique in various applications where iden ti fying the chemical st ruc tu res of mat erials at the chemical bond level is required.
文摘Two complexes,NdL_3·2C_2H_5OH and NdL_3·2H_2O where L=cyclohexane-carboxylate anion,were synthesized and the structure of the former was determined by the single-crystal X-ray diffration method. The crystal is triclinic,Pspace group with the cell parameters:a=1.2385(6),b=1.2385(6),c=0.9421(5) nm.α=91.69(4)°,β=98.49(4)°,γ=99.16(5)°,Z=2,V=1.436 nm^3.The structure was refined to R value of 0.0866.Each Nd atom is connected with other two Nd atoms by two bidentate and two tridentate carboxyl groups to form a linear polymer.The Nd atom is further coordinated by a chelating carboxyl and two ethanol molecules.So the central atom is nine-coordinated with a distorted monocapped square-antiprism geometry.The infrared spectra and the thermal analysis of the complexes were also studied.
文摘A new compound. methyl 4. 6-O-benzylidene-a-D-glucopyranoside 2. 3-cyclicphosphite ethyl ester was synthesized via the reaction of methyl 4. 6-O-benzylidene-a-D-glucopyranoside and ethyl dichlorophosphite. Its structure was confirmed by NMR and MSspectral methods.
文摘A new Mutactimycin group antibiotic(XF-1)was isolated from the mycelium of Streptomyces sp.80-115 and its structure has been determined on the basis of its spectroscopical and chemical properties. XF-1 showed active against some Gram positive bacteria.
基金the Faculty of Arts and Sciences, Ondokuz Mayis University, Turkey, for the use of the STOE IPDS-II diffractometer (purchased under grant F.279 of the University Research Fund)
文摘The compound of dimethyl trans-3-（2-bromophenyl）-2-methylisoxazolidine-4,5-dicarboxylate has been synthesized and characterized by IR, 1H-NMR, 13C-NMR, 2D-NMR （COSY, NOESY, HMQC, HMBC） and UV-vis. spectroscopy techniques and single-crystal X-ray diffraction （XRD）. The biological activities of the title compound have been investigated in detail. The new compound crystallizes in monoclinic, space group C2/c with a = 26.9263（10）, b = 7.0970（2）, c = 19.8554（7） ？, and β = 126.630（2）. In addition to the single crystal structure, the molecular geometry, vibrational frequencies, chemical shifts, molecular electrostatic potential and frontier molecular orbital analysis of the title compound in the ground state have been calculated by Density Functional Theory （DFT） method.
文摘An alkaloid with a novel structure,named Hypodematine,was isolated from Hypodematium sinense Iwatsuki(belonging to Thelypterdaceae).Its structure was elucidated by means of the ~1H-~1H COSY' ~1H-^(13)C COSY and long-range ~1H-^(13)C COSY spectroscopy to have the skeleton of benzo-aza-cyclooctatetraene with a phenyl substituent.Such basic structure has not been found in the na- tural product before.
