A quantitative structure–activity relationship(QSAR) was performed to analyze antimalarial activities against the D10 strains of Plasmodium falciparum of triazole-linked chalcone and dienone hybrid derivatives using ...A quantitative structure–activity relationship(QSAR) was performed to analyze antimalarial activities against the D10 strains of Plasmodium falciparum of triazole-linked chalcone and dienone hybrid derivatives using partial least squares regression coupled with stepwise forward–backward variable selection method. QSAR analyses were performed on the available IC50 D10 strains of Plasmodium falciparum data based on theoretical molecular descriptors. The QSAR model developed gave good predictive correlation coefficient(r2) of 0.8994, significant cross validated correlation coefficient(q2) of 0.7689, r2 for external test set)(2predr of 0.8256, coefficient of correlation of predicted data set)(2sepred,r of 0.3276. The model shows that antimalarial activity is greatly affected by donor and electron-withdrawing substituents. The study implicates that chalcone and dienone rings should have strong donor and electron-withdrawing substituents as they increase the activity of chalcone. Results show that the predictive ability of the model is satisfactory, and it can be used for designing similar group of antimalarial compounds. The findings derived from this analysis along with other molecular modeling studies will be helpful in designing of the new potent antimalarial activity of clinical utility.展开更多
The present study was designed to synthesize derivatives of E-resveratrol and evaluate their cytotoxic activity in vitro.Different functional groups were conjugated with the phenolic hydroxyl group of E-resveratrol,an...The present study was designed to synthesize derivatives of E-resveratrol and evaluate their cytotoxic activity in vitro.Different functional groups were conjugated with the phenolic hydroxyl group of E-resveratrol,and the double bond of E-resveratrol was reduced.The in vitro cytotoxicity of the synthetic derivatives was evaluated against three tumor cell lines(A549,LAC,and He La) using the MTT assay.Twenty-six E-resveratrol derivatives were synthesized and their structures were confirmed by 1H NMR,MS,IR,and elemental analyses.Compounds 1-6,12,15-21,and 23-26 were reported for the first time.Among them,Compounds 1,2,4,5,and 9-11,showed significant cytotoxicity against tumor cells;especially,Compound 1 showed an IC50 value of 4.38 μmol·L-1 in the A549 cells which was 15-fold more active than E-resveratrol;Compound 9 showed an IC50 value of 1.41 μmol·L-1 in the He La cell line which was 90-fold more active than E-resveratrol,and close to adriamycin.The structure–activity relationships were also investigated.Compounds 1,2 and 9-11 may serve as potential lead compounds for the discovery of new anticancer drugs.展开更多
The mechanisms of lacustrine organic-rich shale formation have attracted attention due to its association with global shale oil and shale gas exploration.Samples of general-quality and excellent-quality source rocks,a...The mechanisms of lacustrine organic-rich shale formation have attracted attention due to its association with global shale oil and shale gas exploration.Samples of general-quality and excellent-quality source rocks,and oil shale from the Beibu Gulf Basin were analyzed to investigate their organic geochemistry,palynofacies,and trace elements.Hydrocarbon potential was higher in the oil shale(29.79 mg/g)than in the general-quality source rock(3.82 mg/g),and its kerogen type wasⅠ-Ⅱ2.Hydrogen-rich liptinite(cutinite and sporinite)components derived from terrigenous higher plants provided most of the hydrocarbon potential of excellent-quality source rock and oil shale.Under the influence of depressioncontrolling fault activity,a deeper subsidence center promotes the deposition of excellent-quality source rock and oil shale in brackish-hypoxic bottom water.A shallower subsidence center,due to subsag-controlling fault activity,promotes the formation of excellent-quality source rock under freshbrackish and weak oxidation-weak reducing conditions.The local uplift and shallow-slope led to the formation of general-quality source rock,under freshwater weak-oxidation conditions.A model was established for organic matter(OM)accumulation in organic-rich shales,accounting for fault activity,terrigenous hydrogen-rich OM,and the preservation conditions,to predict the development of excellent-quality source rock from areas with low levels of exploration.展开更多
A numerical and experimental study was presented on active control of structurally radiated sound from an elastic cylindrical shell.An analytical model was developed for the active structural acoustic control (ASAC) o...A numerical and experimental study was presented on active control of structurally radiated sound from an elastic cylindrical shell.An analytical model was developed for the active structural acoustic control (ASAC) of the cylindrical shell.Both global and local control strategies were considered.The optimal control forces corresponding to each control strategy were obtained by using the linear quadratic optimal control theory.Numerical simulations were performed to examine and analyze the control performance under different control strategies.The results show that global sound attenuation of the cylindrical shell at resonance frequencies can be achieved by using point force as the control input of the ASAC system.Better control performance can be obtained under the control strategy of minimization of the radiated sound power.However,control spillover may occur at off-resonance frequencies with the control strategy of structural kinetic energy minimization in terms of the radiated sound power.Considerable levels of global sound attenuation can also be achieved in the on-resonance cases with the local control strategy,i.e.,minimization of the mean-square velocity of finite discrete locations.An ASAC experiment using an FXLMS algorithm was implemented,agreement was observed between the numerical and experimental results,and successful attenuation of structural vibration and radiated sound was achieved.展开更多
2-Oxo-butyric acid salicylacylhydrazone dibenzyltin（IV） complexes 1 {[o-OHC6H4（O）C=N-N=C（Et）COO]（CH3OH）[（C6H5CH2）2Sn]}2 and 2 {[o-OH-C6H4（O）C=N-N=C（Et）-COO]（CH3OH）[（2,4-Cl2C6H3CH2）2Sn]}2 have been sy...2-Oxo-butyric acid salicylacylhydrazone dibenzyltin（IV） complexes 1 {[o-OHC6H4（O）C=N-N=C（Et）COO]（CH3OH）[（C6H5CH2）2Sn]}2 and 2 {[o-OH-C6H4（O）C=N-N=C（Et）-COO]（CH3OH）[（2,4-Cl2C6H3CH2）2Sn]}2 have been synthesized. The complexes were characterized by IR, 1H, 13C and 119Sn NMR spectra, elemental analysis and thermal stability analysis, and the crystal structures were determined by X-ray diffraction. The crystal of complex 1 belongs to triclinic system, space group P1 with a = 8.9121（6）, b = 10.3875（7）, c = 14.5658（10） ？, α = 89.534（5）, β = 86.790（5）, γ = 70.103（6）°, Z = 1, V = 1265.85（15） ？3, Dc = 1.488 Mg·m^（-3）, m（Mo Kα） = 1.047 mm-1, F（000） = 576, R = 0.0466 and w R = 0.1054. The crystal of complex 2 belongs to monoclinic system, space group P21/n, a = 12.7165（10）, b = 17.8466（14）, c = 12.8538（10） ？, β = 95.1310（10）°, Z = 2, V = 2905.4（4） ？~3, Dc = 1.612 Mg·m^（-3）, m（Mo Kα） = 1.286 mm-1, F（000） = 1408, R = 0.0369 and w R = 0.0958. In vitro antitumor activities of both complexes were evaluated by the 3-（4,5-dimethylthiazoly-2-yl）-2,5-diphenyltetrazolium bromide（MTT） assay against three human cancer cell lines（NCI-H460, HepG2, MCF7） and one human cell line（HL7702）. Two complexes exhibited strong antitumor activity, and then they were expected after further chemical optimization of candidate compounds as anti-cancer drugs. The interaction between complexes and calf thymus DNA were studied by EB fluorescent probe. The interactions of the two complexes with calf thymus DNA were intercalation.展开更多
A series of granular activated carbons （GACs） were prepared by briquetting method from Chinese coals of different ranks and their blends, with coal pitch as the binder. Pore structural parameters including BET speci...A series of granular activated carbons （GACs） were prepared by briquetting method from Chinese coals of different ranks and their blends, with coal pitch as the binder. Pore structural parameters including BET specific surface area （SBEr）, total pore volume （Vr） and average pore diameter （da） were measured and cal- culated as well as process parameters such as yield of char （CY） and burn-off （B）. The relationship between the pore structural parameters of the GAC from coal blend （BC-GAC） and the ones of the GACs from corresponding single coals （SC-GACs） was analyzed, in which an index, the relative error （δ）, was presented to define the bias between fitted values and experimental values of these parameters of the BC-GACs. The results show that the BC-GAC keeps qualitatively the pore structural features of the SC-GACs; as concerned as the quantitative relationship, the pore structural parameters of the BC-GAC from coal blend consisting of non-caking coals can be obtained by adding proportionally the pore structural parameters of the SC-GACs with a less than 10%. Meanwhile, for the BC-GAC from coal blend containing weak caking bituminous coal, the δ increases up to 25% and the experimental pore size distribution differs greatly from the fitted one.展开更多
Compounds 1 （C15H17C1F3N303, Mr = 379） and 2 （C14H14C1F3N4OS, Mr = 378） have been synthesized and their crystal structures were determined by single-crystal X-ray diffraction. Crystal 1 belongs to the triclinic sy...Compounds 1 （C15H17C1F3N303, Mr = 379） and 2 （C14H14C1F3N4OS, Mr = 378） have been synthesized and their crystal structures were determined by single-crystal X-ray diffraction. Crystal 1 belongs to the triclinic system, space group P1 with a = 6.0223（19）, b = 9.324（3）, c = 15.936（5） A, a = 80.687（5）, β= 87.289（5）, ）, = 86.097（5）°, V= 880.4（5） A3, Z = 2, Dc = 1.433 g/cm3,μ（MoKa） = 0.266 mm^-1, F（000） = 392, R = 0.0861 and wR = 0.1999 for 2022 observed reflections with I 〉 2o（/）. Crystal 2 belongs to the triclinic system, space group PI with a = 7.7029（15）, b = 8.3371（16）, c = 14.410（3） A, a = 100.672（3）, β= 103.168（3）, ？ = 98.726（3）°, V = 876.1（3） A3, Z = 2, Dc= 1.451 g/cm^3,μ（MoKa） = 0.379 mm^-1, F（000） = 388, R = 0.0672 and wR = 0.2105 for 2725 observed reflections with I 〉 2σ（I）. Although the two compounds are similar with the same pyrazole and pyrethroid units, X-ray analysis reveals that their structures are completely different.展开更多
4-Methyl-2-（4-methylphenyl）-5-（2-thiazolinyl）-1,3-thiazole, a novel compound, was synthesized by the annulation of 5-hydroxyethylcarbamoyl-4-methyl-2-（4- methylphenyl）-1,3-thiazole with P2S5. 5-Hydroxyethylcarba...4-Methyl-2-（4-methylphenyl）-5-（2-thiazolinyl）-1,3-thiazole, a novel compound, was synthesized by the annulation of 5-hydroxyethylcarbamoyl-4-methyl-2-（4- methylphenyl）-1,3-thiazole with P2S5. 5-Hydroxyethylcarbamoyl-4-methyl-2-（4-methylphenyl）-1,3-thiazole was prepared from the starting material of p-tolunitrile. The newly synthesized compounds were characterized by elemental analysis, IR, NMR（^1H, ^13C） and MS spectra. Hence, the crystal of the title compound was obtained, and its structure was determined by X-ray diffraction analysis. The crystal belongs to the triclinic system, space group P1 with a = 7.354（4）, b = 8.383（4）, c = 11.543（6）A, α = 76.688（6）, β = 72.299（6）, γ = 88.157（6）°, V = 659.2（6） A^3, Z = 2, Mr = 274.39, Dc = 1.382 g/cm^3, μ = 0.386 mm^-1, F（000） = 288, R = 0.0586 and w R = 0.1808 for 2984 unique reflections with 2213 observed ones（I 〉 2σ（I））. The title compound was also screened for its antibacterial activities against Bacillus subtilis and Escherichia coli. The result indicates that the target compound presents potential antimicrobial activities, and that the minimum inhibitory concentration（MIC） values of the title compound against the two tested strains are both 62.5 μg/mL.展开更多
A new kind of Schiff base HL（HL= 1-phenyl-3-methyl-4-（p-methylbenzoyl）-5-pyrazolone with L-Leucine methyl ester） and complexes Ni L′_2·0.75C_2H_5OH·0.25H_2O,Cu L′′2（L′ = 1-phenyl-3-methyl-4-（p-meth...A new kind of Schiff base HL（HL= 1-phenyl-3-methyl-4-（p-methylbenzoyl）-5-pyrazolone with L-Leucine methyl ester） and complexes Ni L′_2·0.75C_2H_5OH·0.25H_2O,Cu L′′2（L′ = 1-phenyl-3-methyl-4-（p-methylbenzoyl）-5-pyrazolone with L-leucine ethyl,L′′ = 1-phenyl-3-methyl-4-（p-methylbenzoyl）-5-pyrazolone with L-leucine） have been synthesized and structurally determined by X-ray diffraction. For HL： crystal structure determination indicates that there are two independent HLs with different conformations in one asymmetric unit. For complex 1： the Ni（Ⅱ） ion is six-coordinated by two carbonyl oxygen atoms from pyrazolone ring,two nitrogen atoms from different HL′ and two oxygen atoms from L-Leucine ethyl ester to form a distorted octahedral geometry. For complex 2： the Cu（Ⅱ） ion is four-coordinated by one carbonyl oxygen atom from the pyrazolone ring,one nitrogen atom from HL′′,and two different carboxylic oxygen atoms from L-leucine with the same conformation to form a distorted quadrilateral geometry.展开更多
The effects of mechanical activation in a planetary mill on the structural changes and microstructural characteristics of the components of ferruginous quartzite beneficiation railings generated by wet magnetic separa...The effects of mechanical activation in a planetary mill on the structural changes and microstructural characteristics of the components of ferruginous quartzite beneficiation railings generated by wet magnetic separation process were studied using X-ray and laser diffraction methods. The results revealed the relationship between variations in the mean particle size of activated powders and the milling time. The crystallite size, microstrain, lattice parameters and unit cell volumes were determined for different milling times in powder samples of quartz, hematite, dolomite, and magnetite from the beneficiation tailings. The main trends in the variation of the crystallite size of quartz, hematite, dolomite, and magnetite as a function mean particle size of powder samples were revealed. Changes in the particle shape as a function of the activation time was also investigated.展开更多
The title compound,1-（2-（1 H-indol-3-yl）ethyl）-3-（2-methoxyphenyl）urea（C（18）H（19）N3O2,Mr = 309.36） has been synthesized,and its structure was characterized by ^1H-NMR,^13C-NMR,ESI-MS and single-crystal X-r...The title compound,1-（2-（1 H-indol-3-yl）ethyl）-3-（2-methoxyphenyl）urea（C（18）H（19）N3O2,Mr = 309.36） has been synthesized,and its structure was characterized by ^1H-NMR,^13C-NMR,ESI-MS and single-crystal X-ray diffraction.It crystallizes in the monoclinic space group P21/c with a = 16.2774（15）,b = 11.1082（10）,c = 9.0819（3） A,β = 103.09（9）°,V = 1599.5（3） A^3,Z = 4,T = 293（2） K,μ（MoKα） = 0.086 mm^（-1,Dc = 1.285 g/cm^3,F（000） = 656 and GOOF = 0.981.5973 reflections were measured（7.04≤2θ≤52.04°）,and 3143 were unique（Rint= 0.0393,Rsigma = 0.0546） and used in all calculations.The final R = 0.0756（I 〉 2σ（I）） and w R = 0.1976（all data）.The antitumor activity of the title compound was analyzed by MTT assay.Meanwhile,to rationalize its potencies in the CDK4 target,the title compound was docked into CDK4 protein and the interactions with the active site residues were analyzed.展开更多
μ_2-O-and μ_2-dimethylglyoximato-bridged μ_3-O-tris[di（m-fluorobenzyl）tin] bis（dimethylglyoximate）（1） has been synthesized by the reaction of di（m-fluorobenzyl）tin dichloride with dimethylglyoxime. Complex ...μ_2-O-and μ_2-dimethylglyoximato-bridged μ_3-O-tris[di（m-fluorobenzyl）tin] bis（dimethylglyoximate）（1） has been synthesized by the reaction of di（m-fluorobenzyl）tin dichloride with dimethylglyoxime. Complex 1 was characterized by means of IR,~1H NMR,elemental analysis and X-ray diffraction. It crystallizes in orthorhombic system,space group Pna21 with a = 2.22172（12）,b = 1.05566（6）,c = 2.15577（12） nm,V = 5.0561（5） nm^3,Z = 4,C_（50）H_（50）F_6N_4O_6Sn_3,Mr = 1273.01,Dc = 1. 6721 g/cm3,μ_（MoΚα） = 15.44 cm^（-1）,F（000） = 2520,R = 0.0281 and wR = 0.0683. The stabilities,orbital energies and composition characteristics of some frontier molecular orbitals of 1 have been investigated with the quantum chemistry calculation. The properties of thermogravimetric and vitro anticancer activities of the compound have been discussed.展开更多
A new molecular structural characterization（MSC）method called molecular vertexes correlative index（MVCI）was constructed in this paper.The index was used to describe the structures of 45 compounds and a quantitativ...A new molecular structural characterization（MSC）method called molecular vertexes correlative index（MVCI）was constructed in this paper.The index was used to describe the structures of 45 compounds and a quantitative structure-activity relationship（QSAR）model of toxicity（–lgEC50）was obtained through multiple linear regression（MLR）and stepwise multiple regression（SMR）.The correlation coefficient（R）of the model was 0.912,and the standard deviation（SD）of the model was 0.525.The estimation stability and prediction ability of the model were strictly analyzed by both internal and external validations.The Leave-One-Out（LOO）Cross-Validation（CV）correlation coefficient（RCV）was 0.816 and the standard deviation（SDCV）was 0.739,respectively.For the external validation,the correlation coefficient（Rtest）was 0.905 and the standard deviation（SDtest）was 0.520,respectively.The results showed that the index was superior in molecular structural representation.The stability and predictability of the model were good.展开更多
Five analogs and five segments of the Papavor Somniferum pollen tridecapeptidePSPP3 were designed and synthesized by using solid-phase peptide synthesis method. Theirinhibitive activities to human liver tumor cell Bel...Five analogs and five segments of the Papavor Somniferum pollen tridecapeptidePSPP3 were designed and synthesized by using solid-phase peptide synthesis method. Theirinhibitive activities to human liver tumor cell Bel-7402 were assayed by MTT method and theirsecondary structures in solution were determined by CD spectra. The relationship of the structureand activity was discussed.展开更多
A series of 10-substituted 9-aryl-3,4,6,7,9,10-hexahydroacridine-1,8（2H,5H）-dione derivatives 2 were synthesized by a two-step reaction.All the compounds were characterized by IR,MS,and ^1H NMR.Crystals of 1a and 2c...A series of 10-substituted 9-aryl-3,4,6,7,9,10-hexahydroacridine-1,8（2H,5H）-dione derivatives 2 were synthesized by a two-step reaction.All the compounds were characterized by IR,MS,and ^1H NMR.Crystals of 1a and 2c were obtained and determined by X-ray single-crystal diffraction.Crystal data of 1a：C_（20）H_（22）O_5,orthorhombic system,space group Pbcn,a = 15.8888（19）,b = 18.228（2）,c = 11.6926（13） A,V = 3386.4（7） A^3,Z = 8,F（000） = 1456,Dc = 1.343 g/cm^3,R = 0.0456 and w R = 0.1600.Crystal data of 2c：C_（26）H_（24） Cl NO_3,monoclinic system,space group P2_1/n,a = 8.628（2）,b = 10.912（3）,c = 22.425（7） A,β = 90.786（4）°,V = 2111.1（10） A^3,Z = 4,F（000） = 912,D_c = 1.365 g/cm^3,R = 0.0613,and w R = 0.1196.The results of biological experiments show that compounds 2b and 2c could inhibit the proliferation of Hep G2 cells.展开更多
The title compound,ethyl（R）-2-（biphenyl-4-carbonyl）-2,3,4,9-tetrahydro-1H-pyri do-[3,4-b]indole-1-carboxylate（C（27）H（24）N2O3） has been synthesized,and its structure was charac-terized by ^1H-NMR,^13C-NMR,ESI...The title compound,ethyl（R）-2-（biphenyl-4-carbonyl）-2,3,4,9-tetrahydro-1H-pyri do-[3,4-b]indole-1-carboxylate（C（27）H（24）N2O3） has been synthesized,and its structure was charac-terized by ^1H-NMR,^13C-NMR,ESI-MS and single-crystal X-ray diffraction.It crystallizes in the orthorhombic system,space group Pbca with a = 16.9950（8）,b = 9.5445（4）,c = 28.3188（3）A,V = 4593.6（3）A^3,Z = 8,T = 294.64（10） K,μ（MoKα） = 0.08 mm^-1,Dc = 1.228 g/cm^3,F（000） = 1792 and GOOF = 1.036.11836 reflections were measured（7.04≤2θ≤52.04°）,and 4506 were unique（R（int）= 0.0393,R（sigma ）= 0.0546） and used in all calculations.The final R = 0.0576（I 〉 2σ（I）） and wR = 0.1563（all data）.The preliminary biological tests show that the title compound has a good antitumor activity against Hela in vitro with the IC（50） value of 4.71 μmol/L.展开更多
Various bond modes of the M-C（C5 ring） exist in metallocene compounds of group 14 heavier elements,mostly due to an intricate interaction between the lone electron pairs at the M center and the 6 p-electrons of the ...Various bond modes of the M-C（C5 ring） exist in metallocene compounds of group 14 heavier elements,mostly due to an intricate interaction between the lone electron pairs at the M center and the 6 p-electrons of the C5 ring.The tin（Ⅱ） metallocene complexes LSn R（L = HC[CMe（N-2,6-iPr2C6H3）]2,R = cyclopentadienyl,C5H5（1）; indenyl,C9H7（2）; fluorenyl,C（13）H9（3）） stabilized by the β-diketiminato ligand were prepared and utilized in the study on their solid and solution state structures.X-ray single-crystal diffraction data revealed an η~1-mode of the Sn-C（C5 ring） bond in each 1~3.However,the room temperature ~1H NMR spectral studies disclosed such a fluxional bonding mode in solution.The 119 Sn NMR studies suggested a quadruple coordination nature of the Sn center in 1 while the triple coordination manner was for the Sn atom in both 2 and 3.Then the variable-temperature（25~–75 ℃） ~1H NMR spectral studies for each 1~3 were performed,which detected the relaxation state structures of 1~3 at lower temperature.All of these results indicate a stereochemical activity of the lone electron pairs at the tin（Ⅱ） atom that definitely has an electronic interaction with the 6 p-electrons of the C5 ring.The observed Sn-C（C5 ring） bond modes appear influenced by either the metallocene size or the compound state existed.展开更多
Two new mononuclear complexes, namely [Co（L）2]（1） and [Mn（L）2]（2）（HL = N-（3-methylsalicylidene）tryptamine）, have been synthesized by the reactions of the ligand with cobalt acetate or manganese acetate in ...Two new mononuclear complexes, namely [Co（L）2]（1） and [Mn（L）2]（2）（HL = N-（3-methylsalicylidene）tryptamine）, have been synthesized by the reactions of the ligand with cobalt acetate or manganese acetate in anhydrous ethanol. The crystal structures of the complexes were characterized by IR spectrum, elemental analysis, PXRD and single-crystal X-ray diffraction analysis. Complex 1 crystallizes in monoclinic, space group C2/c, with a = 23.146（2）, b = 9.4864（10）, c = 13.9261（15）A, β = 102.898（2）°, V = 2980.6（5） ？3, Z = 4, Dc = 1.367 g/cm3, F（000） = 1284 and μ = 0.616 mm^-1. Complex 2 crystallizes in monoclinic, space group P21/n, with a = 14.807（11）, b = 13.118（10）, c = 16.663（13） A, β = 111.237（14）°, V = 3017（4） A^3, Z = 4, Dc = 1.342 g/cm^3, F（000） = 1276 and μ = 0.477 mm-1. The units of complex 1 are linked by intermolecular N–H…π hydrogen bonds into infinite 1D chains, which are further extended into a 3D supramolecular structure by a series of π···π stacking interactions. The units of complex 2 are linked by intermolecular N–H…π hydrogen bonds and C–H…π hydrogen bonds into an infinite 3D supramolecular structure. Meanwhile, the antibacterial activities of the ligand and its complexes have been tested against four kinds of bacteria. The results show that the three compounds all have excellent antibacterial activities and that 1 and 2 possess stronger inhibiting effects against the bacteria than the Schiff base.展开更多
On the basis of the structure of natural product lansiumamide B(1),a total of 27 novel cis-enamide compounds were designed and synthesized via Intermediate Derivatization Method.Their chemical structures were characte...On the basis of the structure of natural product lansiumamide B(1),a total of 27 novel cis-enamide compounds were designed and synthesized via Intermediate Derivatization Method.Their chemical structures were characterized by 1H and 13C nuclear magnetic resonance and high-resolution mass spectrometry.The in vitro antifungal activities against Sclerotinia sclerotiorum,Thanatephorus cucumeris and Botrytis cinerea were evaluated by the mycelium linear growth rate method.Most of the compounds showed some activity against each of the fungi at 25 or 50μg/mL.The relationship between structure and antifungal activity was also discussed,which showed the cinnamic double bond was critical to maintain the antifungal activity.Notably,among the title compounds,3e and 3h could inhibit mycelia growth of Botrytis cinerea by approximately 50%(EC_(50))at 39.17 and 41.25μg/mL respectively,which showed better antifungal activity than lansiumamide B(1)with more concise chemical structure.The present study pointed out the correct direction for the development and optimization of lansiumamide B derivatives as potential inhibitors of pathogenic fungi.展开更多
Based on detailed investigations and prospecting,this paper describes the geometrical characteristics and tectonic activities of Wanquan fault in northwest of Beijing. This fault strikes mainly northeast or northeast ...Based on detailed investigations and prospecting,this paper describes the geometrical characteristics and tectonic activities of Wanquan fault in northwest of Beijing. This fault strikes mainly northeast or northeast to north,dipping southeast,and extends over a length of 15km. It is a major geological and geomorphological margin,controlling the neotectonic movement in this region. On the southeast side of Wanquan fault are the Late Quaternary unconsolidated deposits,forming a basin or deposition; but on the other side is Mesozoic volcano debris,forming lower-mountains and hills. Wanquan fault is a mid- to-high-angle normal fault dipping southeast. This fault was more active in the Quaternary. Since the middle-late part of the alate Pleistocene,the average rate with vertical slip of a single fault is over 0. 03 ～ 0. 3mm /a,but the fault has multiple slipping surfaces,and a total rate with vertical slip will be estimated.展开更多
文摘A quantitative structure–activity relationship(QSAR) was performed to analyze antimalarial activities against the D10 strains of Plasmodium falciparum of triazole-linked chalcone and dienone hybrid derivatives using partial least squares regression coupled with stepwise forward–backward variable selection method. QSAR analyses were performed on the available IC50 D10 strains of Plasmodium falciparum data based on theoretical molecular descriptors. The QSAR model developed gave good predictive correlation coefficient(r2) of 0.8994, significant cross validated correlation coefficient(q2) of 0.7689, r2 for external test set)(2predr of 0.8256, coefficient of correlation of predicted data set)(2sepred,r of 0.3276. The model shows that antimalarial activity is greatly affected by donor and electron-withdrawing substituents. The study implicates that chalcone and dienone rings should have strong donor and electron-withdrawing substituents as they increase the activity of chalcone. Results show that the predictive ability of the model is satisfactory, and it can be used for designing similar group of antimalarial compounds. The findings derived from this analysis along with other molecular modeling studies will be helpful in designing of the new potent antimalarial activity of clinical utility.
基金supported by the Cross-fund of Nanchang University
文摘The present study was designed to synthesize derivatives of E-resveratrol and evaluate their cytotoxic activity in vitro.Different functional groups were conjugated with the phenolic hydroxyl group of E-resveratrol,and the double bond of E-resveratrol was reduced.The in vitro cytotoxicity of the synthetic derivatives was evaluated against three tumor cell lines(A549,LAC,and He La) using the MTT assay.Twenty-six E-resveratrol derivatives were synthesized and their structures were confirmed by 1H NMR,MS,IR,and elemental analyses.Compounds 1-6,12,15-21,and 23-26 were reported for the first time.Among them,Compounds 1,2,4,5,and 9-11,showed significant cytotoxicity against tumor cells;especially,Compound 1 showed an IC50 value of 4.38 μmol·L-1 in the A549 cells which was 15-fold more active than E-resveratrol;Compound 9 showed an IC50 value of 1.41 μmol·L-1 in the He La cell line which was 90-fold more active than E-resveratrol,and close to adriamycin.The structure–activity relationships were also investigated.Compounds 1,2 and 9-11 may serve as potential lead compounds for the discovery of new anticancer drugs.
基金supported by the Certificate of National Science and Technology Major Project of the Ministry of Science and Technology of China(2016ZX05006-007-004)National Natural Science Foundation of China(41702139,41772138,41602142,42072130)the Fundamental Research Funds for the Central Universities(18CX02008A)。
文摘The mechanisms of lacustrine organic-rich shale formation have attracted attention due to its association with global shale oil and shale gas exploration.Samples of general-quality and excellent-quality source rocks,and oil shale from the Beibu Gulf Basin were analyzed to investigate their organic geochemistry,palynofacies,and trace elements.Hydrocarbon potential was higher in the oil shale(29.79 mg/g)than in the general-quality source rock(3.82 mg/g),and its kerogen type wasⅠ-Ⅱ2.Hydrogen-rich liptinite(cutinite and sporinite)components derived from terrigenous higher plants provided most of the hydrocarbon potential of excellent-quality source rock and oil shale.Under the influence of depressioncontrolling fault activity,a deeper subsidence center promotes the deposition of excellent-quality source rock and oil shale in brackish-hypoxic bottom water.A shallower subsidence center,due to subsag-controlling fault activity,promotes the formation of excellent-quality source rock under freshbrackish and weak oxidation-weak reducing conditions.The local uplift and shallow-slope led to the formation of general-quality source rock,under freshwater weak-oxidation conditions.A model was established for organic matter(OM)accumulation in organic-rich shales,accounting for fault activity,terrigenous hydrogen-rich OM,and the preservation conditions,to predict the development of excellent-quality source rock from areas with low levels of exploration.
基金Supported by the National Natural Science Foundation of China (No.10802024)Research Fund for the Doctoral Program of Higher Education of China (No. 200802171009)+2 种基金the Natural Science Foundation of Heilongjiang Province (No.E200944)Innovative Talents Fund of Harbin (No.2009RFQXG211)Fundamental Research Fund of HEU (No. HEUFT08003)
文摘A numerical and experimental study was presented on active control of structurally radiated sound from an elastic cylindrical shell.An analytical model was developed for the active structural acoustic control (ASAC) of the cylindrical shell.Both global and local control strategies were considered.The optimal control forces corresponding to each control strategy were obtained by using the linear quadratic optimal control theory.Numerical simulations were performed to examine and analyze the control performance under different control strategies.The results show that global sound attenuation of the cylindrical shell at resonance frequencies can be achieved by using point force as the control input of the ASAC system.Better control performance can be obtained under the control strategy of minimization of the radiated sound power.However,control spillover may occur at off-resonance frequencies with the control strategy of structural kinetic energy minimization in terms of the radiated sound power.Considerable levels of global sound attenuation can also be achieved in the on-resonance cases with the local control strategy,i.e.,minimization of the mean-square velocity of finite discrete locations.An ASAC experiment using an FXLMS algorithm was implemented,agreement was observed between the numerical and experimental results,and successful attenuation of structural vibration and radiated sound was achieved.
基金Supported by Natural Science Foundation of Hunan Province(No.2016JJ4008)the Innovation Platform Open Fund Project of Hunan Provincial Education Department of China(No.16K011)+1 种基金the Open Fund Project of Key Laboratory of Functional Organometallic Materials of Hengyang Normal University(Nos.GN16k01,GN16K03)the Scientific and Technological Projects of Hengyang(No.2016KJ04)
文摘2-Oxo-butyric acid salicylacylhydrazone dibenzyltin（IV） complexes 1 {[o-OHC6H4（O）C=N-N=C（Et）COO]（CH3OH）[（C6H5CH2）2Sn]}2 and 2 {[o-OH-C6H4（O）C=N-N=C（Et）-COO]（CH3OH）[（2,4-Cl2C6H3CH2）2Sn]}2 have been synthesized. The complexes were characterized by IR, 1H, 13C and 119Sn NMR spectra, elemental analysis and thermal stability analysis, and the crystal structures were determined by X-ray diffraction. The crystal of complex 1 belongs to triclinic system, space group P1 with a = 8.9121（6）, b = 10.3875（7）, c = 14.5658（10） ？, α = 89.534（5）, β = 86.790（5）, γ = 70.103（6）°, Z = 1, V = 1265.85（15） ？3, Dc = 1.488 Mg·m^（-3）, m（Mo Kα） = 1.047 mm-1, F（000） = 576, R = 0.0466 and w R = 0.1054. The crystal of complex 2 belongs to monoclinic system, space group P21/n, a = 12.7165（10）, b = 17.8466（14）, c = 12.8538（10） ？, β = 95.1310（10）°, Z = 2, V = 2905.4（4） ？~3, Dc = 1.612 Mg·m^（-3）, m（Mo Kα） = 1.286 mm-1, F（000） = 1408, R = 0.0369 and w R = 0.0958. In vitro antitumor activities of both complexes were evaluated by the 3-（4,5-dimethylthiazoly-2-yl）-2,5-diphenyltetrazolium bromide（MTT） assay against three human cancer cell lines（NCI-H460, HepG2, MCF7） and one human cell line（HL7702）. Two complexes exhibited strong antitumor activity, and then they were expected after further chemical optimization of candidate compounds as anti-cancer drugs. The interaction between complexes and calf thymus DNA were studied by EB fluorescent probe. The interactions of the two complexes with calf thymus DNA were intercalation.
基金financially supported by the National High-Tech Research and Development Program of China (No.2008AA05Z308)the National Natural Science Foundation of China (No.20776150)
文摘A series of granular activated carbons （GACs） were prepared by briquetting method from Chinese coals of different ranks and their blends, with coal pitch as the binder. Pore structural parameters including BET specific surface area （SBEr）, total pore volume （Vr） and average pore diameter （da） were measured and cal- culated as well as process parameters such as yield of char （CY） and burn-off （B）. The relationship between the pore structural parameters of the GAC from coal blend （BC-GAC） and the ones of the GACs from corresponding single coals （SC-GACs） was analyzed, in which an index, the relative error （δ）, was presented to define the bias between fitted values and experimental values of these parameters of the BC-GACs. The results show that the BC-GAC keeps qualitatively the pore structural features of the SC-GACs; as concerned as the quantitative relationship, the pore structural parameters of the BC-GAC from coal blend consisting of non-caking coals can be obtained by adding proportionally the pore structural parameters of the SC-GACs with a less than 10%. Meanwhile, for the BC-GAC from coal blend containing weak caking bituminous coal, the δ increases up to 25% and the experimental pore size distribution differs greatly from the fitted one.
基金supported by Hubei University of Technology,Science and Technology Department of Hubei Province(No.ZRY0981)National Natural Science Foundation of China(No.21272086)
文摘Compounds 1 （C15H17C1F3N303, Mr = 379） and 2 （C14H14C1F3N4OS, Mr = 378） have been synthesized and their crystal structures were determined by single-crystal X-ray diffraction. Crystal 1 belongs to the triclinic system, space group P1 with a = 6.0223（19）, b = 9.324（3）, c = 15.936（5） A, a = 80.687（5）, β= 87.289（5）, ）, = 86.097（5）°, V= 880.4（5） A3, Z = 2, Dc = 1.433 g/cm3,μ（MoKa） = 0.266 mm^-1, F（000） = 392, R = 0.0861 and wR = 0.1999 for 2022 observed reflections with I 〉 2o（/）. Crystal 2 belongs to the triclinic system, space group PI with a = 7.7029（15）, b = 8.3371（16）, c = 14.410（3） A, a = 100.672（3）, β= 103.168（3）, ？ = 98.726（3）°, V = 876.1（3） A3, Z = 2, Dc= 1.451 g/cm^3,μ（MoKa） = 0.379 mm^-1, F（000） = 388, R = 0.0672 and wR = 0.2105 for 2725 observed reflections with I 〉 2σ（I）. Although the two compounds are similar with the same pyrazole and pyrethroid units, X-ray analysis reveals that their structures are completely different.
基金supported by the Open-end Funds of Jiangsu Key Laboratory of Marine Biotechnology,Huaihai Institute of Technology(2013HS004)Open-end Funds of Jiangsu Key Laboratory of Marine Pharmaceutical Compound Screening(2015HYB05)a project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions(201402)
文摘4-Methyl-2-（4-methylphenyl）-5-（2-thiazolinyl）-1,3-thiazole, a novel compound, was synthesized by the annulation of 5-hydroxyethylcarbamoyl-4-methyl-2-（4- methylphenyl）-1,3-thiazole with P2S5. 5-Hydroxyethylcarbamoyl-4-methyl-2-（4-methylphenyl）-1,3-thiazole was prepared from the starting material of p-tolunitrile. The newly synthesized compounds were characterized by elemental analysis, IR, NMR（^1H, ^13C） and MS spectra. Hence, the crystal of the title compound was obtained, and its structure was determined by X-ray diffraction analysis. The crystal belongs to the triclinic system, space group P1 with a = 7.354（4）, b = 8.383（4）, c = 11.543（6）A, α = 76.688（6）, β = 72.299（6）, γ = 88.157（6）°, V = 659.2（6） A^3, Z = 2, Mr = 274.39, Dc = 1.382 g/cm^3, μ = 0.386 mm^-1, F（000） = 288, R = 0.0586 and w R = 0.1808 for 2984 unique reflections with 2213 observed ones（I 〉 2σ（I））. The title compound was also screened for its antibacterial activities against Bacillus subtilis and Escherichia coli. The result indicates that the target compound presents potential antimicrobial activities, and that the minimum inhibitory concentration（MIC） values of the title compound against the two tested strains are both 62.5 μg/mL.
文摘A new kind of Schiff base HL（HL= 1-phenyl-3-methyl-4-（p-methylbenzoyl）-5-pyrazolone with L-Leucine methyl ester） and complexes Ni L′_2·0.75C_2H_5OH·0.25H_2O,Cu L′′2（L′ = 1-phenyl-3-methyl-4-（p-methylbenzoyl）-5-pyrazolone with L-leucine ethyl,L′′ = 1-phenyl-3-methyl-4-（p-methylbenzoyl）-5-pyrazolone with L-leucine） have been synthesized and structurally determined by X-ray diffraction. For HL： crystal structure determination indicates that there are two independent HLs with different conformations in one asymmetric unit. For complex 1： the Ni（Ⅱ） ion is six-coordinated by two carbonyl oxygen atoms from pyrazolone ring,two nitrogen atoms from different HL′ and two oxygen atoms from L-Leucine ethyl ester to form a distorted octahedral geometry. For complex 2： the Cu（Ⅱ） ion is four-coordinated by one carbonyl oxygen atom from the pyrazolone ring,one nitrogen atom from HL′′,and two different carboxylic oxygen atoms from L-leucine with the same conformation to form a distorted quadrilateral geometry.
文摘The effects of mechanical activation in a planetary mill on the structural changes and microstructural characteristics of the components of ferruginous quartzite beneficiation railings generated by wet magnetic separation process were studied using X-ray and laser diffraction methods. The results revealed the relationship between variations in the mean particle size of activated powders and the milling time. The crystallite size, microstrain, lattice parameters and unit cell volumes were determined for different milling times in powder samples of quartz, hematite, dolomite, and magnetite from the beneficiation tailings. The main trends in the variation of the crystallite size of quartz, hematite, dolomite, and magnetite as a function mean particle size of powder samples were revealed. Changes in the particle shape as a function of the activation time was also investigated.
基金supported by the Lanzhou Science and Technology Bureau Program Funds(2016-3-108)
文摘The title compound,1-（2-（1 H-indol-3-yl）ethyl）-3-（2-methoxyphenyl）urea（C（18）H（19）N3O2,Mr = 309.36） has been synthesized,and its structure was characterized by ^1H-NMR,^13C-NMR,ESI-MS and single-crystal X-ray diffraction.It crystallizes in the monoclinic space group P21/c with a = 16.2774（15）,b = 11.1082（10）,c = 9.0819（3） A,β = 103.09（9）°,V = 1599.5（3） A^3,Z = 4,T = 293（2） K,μ（MoKα） = 0.086 mm^（-1,Dc = 1.285 g/cm^3,F（000） = 656 and GOOF = 0.981.5973 reflections were measured（7.04≤2θ≤52.04°）,and 3143 were unique（Rint= 0.0393,Rsigma = 0.0546） and used in all calculations.The final R = 0.0756（I 〉 2σ（I）） and w R = 0.1976（all data）.The antitumor activity of the title compound was analyzed by MTT assay.Meanwhile,to rationalize its potencies in the CDK4 target,the title compound was docked into CDK4 protein and the interactions with the active site residues were analyzed.
基金Supported by the Open Fund Project of Key Laboratory of Functional Organometallic Materials of Hengyang Normal University(15K017,14K014,13K105)Natural Science Foundation of Hunan Province(No.13JJ3112)+1 种基金Scientific&Technological Projects of Hunan Province(No.2014NK3086)Aid programs for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province,the Key Discipline of Hunan Province,Project funding for research and innovation experiment of university students in Hunan Province,and the Scientific Research Fund of Hunan Provincial Education Department of China(No.14C0171,14C0168,15C0199,15C0200)
文摘μ_2-O-and μ_2-dimethylglyoximato-bridged μ_3-O-tris[di（m-fluorobenzyl）tin] bis（dimethylglyoximate）（1） has been synthesized by the reaction of di（m-fluorobenzyl）tin dichloride with dimethylglyoxime. Complex 1 was characterized by means of IR,~1H NMR,elemental analysis and X-ray diffraction. It crystallizes in orthorhombic system,space group Pna21 with a = 2.22172（12）,b = 1.05566（6）,c = 2.15577（12） nm,V = 5.0561（5） nm^3,Z = 4,C_（50）H_（50）F_6N_4O_6Sn_3,Mr = 1273.01,Dc = 1. 6721 g/cm3,μ_（MoΚα） = 15.44 cm^（-1）,F（000） = 2520,R = 0.0281 and wR = 0.0683. The stabilities,orbital energies and composition characteristics of some frontier molecular orbitals of 1 have been investigated with the quantum chemistry calculation. The properties of thermogravimetric and vitro anticancer activities of the compound have been discussed.
基金supported by the Foundation of Education Bureau,Sichuan Province (09ZB036)Technology Bureau,Sichuan Province (2006j13-141)
文摘A new molecular structural characterization（MSC）method called molecular vertexes correlative index（MVCI）was constructed in this paper.The index was used to describe the structures of 45 compounds and a quantitative structure-activity relationship（QSAR）model of toxicity（–lgEC50）was obtained through multiple linear regression（MLR）and stepwise multiple regression（SMR）.The correlation coefficient（R）of the model was 0.912,and the standard deviation（SD）of the model was 0.525.The estimation stability and prediction ability of the model were strictly analyzed by both internal and external validations.The Leave-One-Out（LOO）Cross-Validation（CV）correlation coefficient（RCV）was 0.816 and the standard deviation（SDCV）was 0.739,respectively.For the external validation,the correlation coefficient（Rtest）was 0.905 and the standard deviation（SDtest）was 0.520,respectively.The results showed that the index was superior in molecular structural representation.The stability and predictability of the model were good.
文摘Five analogs and five segments of the Papavor Somniferum pollen tridecapeptidePSPP3 were designed and synthesized by using solid-phase peptide synthesis method. Theirinhibitive activities to human liver tumor cell Bel-7402 were assayed by MTT method and theirsecondary structures in solution were determined by CD spectra. The relationship of the structureand activity was discussed.
基金supported by National Natural Science Foundation of China for Young Scholars(No.21201087)Natural Science Foundation of Jiangsu Province(No.BK20131244&BK2012699)+1 种基金Jiangsu Overseas Research&Training Program for University Prominent Young&Middle-aged Teachers and Presidentsa start-up grant from Jiangsu University of Science and Technology of China
文摘A series of 10-substituted 9-aryl-3,4,6,7,9,10-hexahydroacridine-1,8（2H,5H）-dione derivatives 2 were synthesized by a two-step reaction.All the compounds were characterized by IR,MS,and ^1H NMR.Crystals of 1a and 2c were obtained and determined by X-ray single-crystal diffraction.Crystal data of 1a：C_（20）H_（22）O_5,orthorhombic system,space group Pbcn,a = 15.8888（19）,b = 18.228（2）,c = 11.6926（13） A,V = 3386.4（7） A^3,Z = 8,F（000） = 1456,Dc = 1.343 g/cm^3,R = 0.0456 and w R = 0.1600.Crystal data of 2c：C_（26）H_（24） Cl NO_3,monoclinic system,space group P2_1/n,a = 8.628（2）,b = 10.912（3）,c = 22.425（7） A,β = 90.786（4）°,V = 2111.1（10） A^3,Z = 4,F（000） = 912,D_c = 1.365 g/cm^3,R = 0.0613,and w R = 0.1196.The results of biological experiments show that compounds 2b and 2c could inhibit the proliferation of Hep G2 cells.
文摘The title compound,ethyl（R）-2-（biphenyl-4-carbonyl）-2,3,4,9-tetrahydro-1H-pyri do-[3,4-b]indole-1-carboxylate（C（27）H（24）N2O3） has been synthesized,and its structure was charac-terized by ^1H-NMR,^13C-NMR,ESI-MS and single-crystal X-ray diffraction.It crystallizes in the orthorhombic system,space group Pbca with a = 16.9950（8）,b = 9.5445（4）,c = 28.3188（3）A,V = 4593.6（3）A^3,Z = 8,T = 294.64（10） K,μ（MoKα） = 0.08 mm^-1,Dc = 1.228 g/cm^3,F（000） = 1792 and GOOF = 1.036.11836 reflections were measured（7.04≤2θ≤52.04°）,and 4506 were unique（R（int）= 0.0393,R（sigma ）= 0.0546） and used in all calculations.The final R = 0.0576（I 〉 2σ（I）） and wR = 0.1563（all data）.The preliminary biological tests show that the title compound has a good antitumor activity against Hela in vitro with the IC（50） value of 4.71 μmol/L.
基金supported by the National Natural Science Foundation of China(21473142 and 21673191)the National Innovative Research Team of China(IRT_14R31 and J1310024)
文摘Various bond modes of the M-C（C5 ring） exist in metallocene compounds of group 14 heavier elements,mostly due to an intricate interaction between the lone electron pairs at the M center and the 6 p-electrons of the C5 ring.The tin（Ⅱ） metallocene complexes LSn R（L = HC[CMe（N-2,6-iPr2C6H3）]2,R = cyclopentadienyl,C5H5（1）; indenyl,C9H7（2）; fluorenyl,C（13）H9（3）） stabilized by the β-diketiminato ligand were prepared and utilized in the study on their solid and solution state structures.X-ray single-crystal diffraction data revealed an η~1-mode of the Sn-C（C5 ring） bond in each 1~3.However,the room temperature ~1H NMR spectral studies disclosed such a fluxional bonding mode in solution.The 119 Sn NMR studies suggested a quadruple coordination nature of the Sn center in 1 while the triple coordination manner was for the Sn atom in both 2 and 3.Then the variable-temperature（25~–75 ℃） ~1H NMR spectral studies for each 1~3 were performed,which detected the relaxation state structures of 1~3 at lower temperature.All of these results indicate a stereochemical activity of the lone electron pairs at the tin（Ⅱ） atom that definitely has an electronic interaction with the 6 p-electrons of the C5 ring.The observed Sn-C（C5 ring） bond modes appear influenced by either the metallocene size or the compound state existed.
基金supported by the National Natural Science Foundation of China(No.21272008)the Natural Science Industry-University-Research Foundation of Suzhou University(2015hx014)
文摘Two new mononuclear complexes, namely [Co（L）2]（1） and [Mn（L）2]（2）（HL = N-（3-methylsalicylidene）tryptamine）, have been synthesized by the reactions of the ligand with cobalt acetate or manganese acetate in anhydrous ethanol. The crystal structures of the complexes were characterized by IR spectrum, elemental analysis, PXRD and single-crystal X-ray diffraction analysis. Complex 1 crystallizes in monoclinic, space group C2/c, with a = 23.146（2）, b = 9.4864（10）, c = 13.9261（15）A, β = 102.898（2）°, V = 2980.6（5） ？3, Z = 4, Dc = 1.367 g/cm3, F（000） = 1284 and μ = 0.616 mm^-1. Complex 2 crystallizes in monoclinic, space group P21/n, with a = 14.807（11）, b = 13.118（10）, c = 16.663（13） A, β = 111.237（14）°, V = 3017（4） A^3, Z = 4, Dc = 1.342 g/cm^3, F（000） = 1276 and μ = 0.477 mm-1. The units of complex 1 are linked by intermolecular N–H…π hydrogen bonds into infinite 1D chains, which are further extended into a 3D supramolecular structure by a series of π···π stacking interactions. The units of complex 2 are linked by intermolecular N–H…π hydrogen bonds and C–H…π hydrogen bonds into an infinite 3D supramolecular structure. Meanwhile, the antibacterial activities of the ligand and its complexes have been tested against four kinds of bacteria. The results show that the three compounds all have excellent antibacterial activities and that 1 and 2 possess stronger inhibiting effects against the bacteria than the Schiff base.
基金financially supported by National Key R&D Program of China(2022 YFD1400700)the Natural Science Foundation of Fujian Province of China(2020J01526)+1 种基金the Foundation of Education Department of Fujian Province of China(JAT21006)the Foundation of Key Laboratory of Biopesticide and Chemical Biology(Keylab2020-03).
文摘On the basis of the structure of natural product lansiumamide B(1),a total of 27 novel cis-enamide compounds were designed and synthesized via Intermediate Derivatization Method.Their chemical structures were characterized by 1H and 13C nuclear magnetic resonance and high-resolution mass spectrometry.The in vitro antifungal activities against Sclerotinia sclerotiorum,Thanatephorus cucumeris and Botrytis cinerea were evaluated by the mycelium linear growth rate method.Most of the compounds showed some activity against each of the fungi at 25 or 50μg/mL.The relationship between structure and antifungal activity was also discussed,which showed the cinnamic double bond was critical to maintain the antifungal activity.Notably,among the title compounds,3e and 3h could inhibit mycelia growth of Botrytis cinerea by approximately 50%(EC_(50))at 39.17 and 41.25μg/mL respectively,which showed better antifungal activity than lansiumamide B(1)with more concise chemical structure.The present study pointed out the correct direction for the development and optimization of lansiumamide B derivatives as potential inhibitors of pathogenic fungi.
基金Urban Active Faults Detection and Seismic Hazard Assessment Project of the Hebei Province ( funded by the Development and Reform Bureau of the Hebei Province [2007]No.1684)A Special Scientific Research Project in Earthquake Industry ( 200908001)
文摘Based on detailed investigations and prospecting,this paper describes the geometrical characteristics and tectonic activities of Wanquan fault in northwest of Beijing. This fault strikes mainly northeast or northeast to north,dipping southeast,and extends over a length of 15km. It is a major geological and geomorphological margin,controlling the neotectonic movement in this region. On the southeast side of Wanquan fault are the Late Quaternary unconsolidated deposits,forming a basin or deposition; but on the other side is Mesozoic volcano debris,forming lower-mountains and hills. Wanquan fault is a mid- to-high-angle normal fault dipping southeast. This fault was more active in the Quaternary. Since the middle-late part of the alate Pleistocene,the average rate with vertical slip of a single fault is over 0. 03 ～ 0. 3mm /a,but the fault has multiple slipping surfaces,and a total rate with vertical slip will be estimated.
