Two new triterpenoid saponins from Aralia subcapitata

Two new oleanane-type saponins, subcapitatoside B and C were isolated from the roots of Aralia subcapitata. On the basis of chemical and spectral evidences, subcapitatoside B and C were established as oleanolic acid 3-O-beta-D-glucopyranosyl-(l-->3)-[beta-D-galactopyranosyl- (1-->2)]-beta-D3--galactopyranoside, and 3-O-beta-D-glucopyranosyl- (1-->3)-[beta-D-galactopyranosyl-(1-->2)]-beta-D-glucopyranosyl oleanolic acid 28-O-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranoside, respectively.     

On the molecular structure of uranium dicarbide: T-shape versus linear isomers

A theoretical study of the molecular structure of uranium dicarbide has been carried out employing DFT, coupled cluster, and multiconfigurational methods. A triangular species, corresponding to a (5)A(2) electronic state, has been found to be the most stable UC(2) species. A triplet linear CUC species, which has been observed in recent infrared spectroscopy experiments, lies much higher in energy. A topological analysis of the electronic density has also been carried out. The triangular species is shown to be in fact a T-shape structure with a U-C interaction which can be considered to be a closed-shell interaction.     

Phytoecdysteroids of plants of the genusSilene. III. Sileneoside A — A new glycosidic ecdysteroid ofSilene brachuica

Ecdysterone (I), viticosterone E, polypodine B, and integristerone A (II) have been isolated from the epigeal part of the plantSilene brachuica Boiss. In addition to substances (I) and (II), the phytoecdysteroid sileneoside A has been isolated from the root of this plant. It has been shown that sileneoside A is ecdysterone 22-O-α-D-galactoside.     

咪唑啉酮类除草剂的三维构效关系研究

从三维角度出发,采取不同的构象搜索方法得到了咪唑酮类化合物分子的活性构象。利用比较分子场分析方法进一步证实了模板分子构象的正确性。并从静电场、立体场及活性关系等方面进行了三维定量构效关系研究,得到了具有较强预测能力的QSAR模型。     

Cycloaddition in Condensed Isoindoles. 2. Method for Obtaining New Derivatives of 2-Phenylpyridine

The reaction of pyrido[2,1-a]isoindole with maleimide derivatives has been investigated. A new rearrangement has been found, the products of which are 2-[2'-(1-R-2,5-dioxopyrrolidinidene)-2'-(1-R-2,5-dioxopyrrolidinyl)methyl]phenylpyridines. A probable mechanism for the rearrangement has been proposed. The existence of atropoisomerism for the compounds obtained has been demonstrated by ¹H NMR spectra.     

Optical Stark spectroscopy of the 2(0)(6) Ã1A'-X̃1A' band of chloro-methylene, HCCl

The laser induced fluorescence spectra of the 2(0)(6)A?(1)A(')-X?(1)A(') band of a rotationally cold (<20 K) molecular beam sample of chloro-methylene, HCCl, has been recorded, field-free and in the presence of a static electric field. The field-free spectrum has been analyzed to produce an improved set of spectroscopic parameters for the A?(1)A(') (060) vibronic state. The magnitude of the a-component of the permanent electric dipole moment, μ(a), for the X?(1)A(') (000) vibronic state has been determined to be 0.501(1) D from the analysis of the observed electric field induced shifts. Comparisons with theoretical predictions and flouro-methylene, HCF, are presented.     

Exquisite 1D Assemblies Arising from Rationally Designed Asymmetric Donor–Acceptor Architectures Exhibiting Aggregation‐Induced Emission as a Function of Auxiliary Acceptor Strength

One‐dimensional nanostructures with aggregation‐induced emission (AIE) properties have been fabricated to keep the pace with growing demand from optoelectronics applications. The compounds 2‐[4‐(4‐methylpiperazin‐1‐yl)benzylidene]malononitrile ( PM1 ), 2‐{4‐[4‐(pyridin‐2‐yl)piperazin‐1‐yl]‐benzylidene}malononitrile ( PM2 ), and 2‐{4‐[4‐(pyrimidin‐2‐yl)piperazin‐1‐yl]benzylidene}malononitrile ( PM3 ) have been designed and synthesized by melding piperazine and dicyanovinylene to investigate AIE in an asymmetric donor–acceptor (D–A) construct of A′–D–π–A‐ topology. The synthetic route has been simplified by using phenylpiperazine as a weak donor (D), dicyanovinylene as an acceptor (A), and pyridyl/pyrimidyl groups ( PM2/PM3 ) as auxiliary acceptors (A′). It has been established that A′ plays a vital role in triggering AIE in these compounds because the same D–A construct led to aggregation‐caused quenching upon replacing A′ with an electron‐donating ethyl group ( PM1 ). Moreover, the effect of restricted intramolecular rotation and twisted intramolecular charge transfer on the mechanism of AIE has also been investigated. Furthermore, it has been clearly shown that the optical disparities of these A′–D–π–A architectures are a direct consequence of comparative A′ strength. Single‐crystal X‐ray analyses provided justification for role of intermolecular interactions in aggregate morphology. Electrochemical and theoretical studies affirmed the effect of the A′ strength on the overall properties of the A′–D–π–A system.     

A New Nor-neolignan from Cremanthodium ellisii

ThegenusCremanthodium(Compositae)consistsofabout55speciesdistributedinmanycountries.Amongthem,about47speciesgrowinChina,especiallyinthenorthwestandsouthwestregions'.CremanthodiumellisiiKitam.hasbeenusedastraditionalTibetanmedicineforanti-inflammation,detoxicationandreliefofpainsinceancienttimes'.Now,wereportanewnor-neolignanIisolatedfromthewholemedicinalplantofCremanthodiumellisiiKitam.collectedinHuzhucounty,QinghaiprovinceofChina.CompoundIwasobtainedasayellowishgum,[al."-34.5(c0.45,CHC…     

四苯基卟啉等分子的超快弛豫过程研究

The ultrafast processes of tetra-phenyl-porphyrin(TPP), tetra-t-butyl-phthalocyanine(BuPc) and nitro-tri-t-butyl-phthalocyanine (NtBuPc) have been investigated using the femtosecond time-resolved fluorescence depletion method. A sharp peak of the fluorescence depletion with delay time has been observed both for TPP and BuPc. An ultrafast two-photon absorption process has been proposed to explain the sharp peak observed. A long-lived fluorescence depletion has also been observed. It is causing by the stimulated-emission-pumping process produced by the intense probe laser pulse.     

Kinetic and thermodynamic stability of cluster compounds under heating

A new polymorphic form of Norfloxacin has been identified and fully characterized by a variety of methods including powder X-ray diffraction, vibrational spectroscopy (IR and Raman), thermal analysis (DSC and TG), SEM and solid-state NMR spectroscopy. The relationship between the new form C and the previously known forms A and B have been studied. Moreover, the crystal structure of the known form A has been solved by single-crystal methods.     

STUDIES ON RESPONSE CHARACTERISTICS OF DRUG ISE''''S (Ⅶ)——PERFORMANCE AND THEORETICAL TREATMENT OF MICROCELLS CONNECTED IN SERIES

A new type of MCCS (microcells connected in series) has been constructed and its performances investigated. It has been applied to the determination of streptomycin. The sensitivity and accuracy have been increased significantly. A theoretical model for the error of determination using the MCCS has been suggested and proved experimentally using the Monte Carlo method, and the error model proposed in Ref. [1] revised.     

Immunological determination of triazine pesticides bound to soil humic acids (bound residues)

An immunological method for the determination of triazine herbicides covalently bound to soil humic acids has been developed. A sandwich-immunoassay has been performed, based on both polyclonal humic acid-antibodies and monoclonal triazineantibodies. A peroxidase-labelled third antibody has been used for the photometric detection. A triazine-humic acid conjugate served as calibration standard. The coupling density for this conjugate has been determined by measuring the difference of free amino groups both with ninhydrin and with the trinitrobenzene sulfonic acid method. In addition, the coupling density has been confirmed by scintillation counting using a (14)C-atrazine derivative. Due to nonspecific interactions between antibody proteins and humic acids, different blocking steps had to be performed. Finally, the assay has been applied to a triazine contaminated soil sample. Humic acids (including bound residues) have been extracted by diluted sodium carbonate solution. Concentrations of bound atrazine residues have been found in the range of 2 mg/kg soil on fields where triazine herbicides has been applied over a period of 21 years. These results are comparable to both the applied amount and the nonextractable fraction.     

石杉碱甲类拟物的合成及药理研究1: (±)-14-氟石杉碱甲

用两种方法合成了(±)-14-氟石杉碱甲(6), 并测定了其抑制乙酰胆碱酯酶的生物活性。其抑制活性是(-)-石杉碱甲(1)的1/62。     

Evaluation of Ptitsyn-Eizner λ parameter in dilute solutions of poly(N-vinylcarbazole) and its variation in conformational transitions of poly(methyl methacrylate)

The Ptitsyn-Eizner λ flexibility parameter for poly(N-vinylcarbozole) solutions under theta conditions has been found to be 6.31, demonstrating the rigidity imparted to the polymer chain by the carbazole group. A study has been made of the variation of this parameter with solvent and temperature. A study has been made of the variation of λ in a conformational transition of poly(methyl methacrylate).     

Miniaturised isotachophoretic analysis of inorganic arsenic speciation using a planar polymer chip with integrated conductivity detection

A new method allowing the analysis of inorganic arsenic species using isotachophoresis has been developed. This method has been shown to be suitable for use on both miniaturised planar polymer separation devices and capillary scale devices. A poly(methyl methacrylate) chip with integrated conductivity electrodes has been successfully used for the rapid analysis of inorganic arsenic species in under 600 s. Limits of detection of 1.8 mg l⁻¹ and 4.8 mg l⁻¹ for arsenic(V) and arsenic(III), respectively, have been achieved with the miniaturised device. The device has also been used to perform the simultaneous separation of arsenic(III), arsenic(V), antimony(III), molybdenum(VI) and tellurium(IV).     

Synthesis of manganese dioxide by homogeneous hydrolysis in the presence of melamine

A new selective method for the synthesis of nanocrystalline manganese dioxide (α-, β-, and γ-MnO₂) based on the reaction of potassium permanganate with 2,4,6-triamino-1,3,5-triazine (melamine) under hydrothermal conditions has been proposed. Effect of synthesis conditions on the phase composition of the products has been revealed. A new manganese-containing phase with layered structure has been prepared.     

Buffer effect on the kinetics of ornithine carbamyl transferase by HPLC

A kinetic study of ornithine carbamyl transferase (OCT) from Streptococcus faecalis has been carried out, employing a new HPLC method based on the direct determination of citrulline. A different kinetic pattern was observed in tris(hydroxymethyl)-aminomethane (TRIS) and triethanolamine (TEA) buffers: a ping-pong or an ordered sequential mechanism are suggested, respectively. The inhibition of Tris buffer on OCT reaction has also been demonstrated. The inhibition of Tris buffer on OCT reaction has also been demonstrated.     

New efficient and totally stereoselective copper allylic benzoyloxylation of sterol derivatives

A new efficient and totally stereoselective copper allylic benzoyloxylation of sterol derivatives has been developed. This methodology has been successfully applied to the synthesis of 7α-hydroxy DHEA and 7α-hydroxy cholesterol in a two-step synthesis with high chemical yields (77% and 61% overall yield, respectively). A mechanistic rationale justifying the total stereoselectivity encountered has been proposed.     

Studies on response characteristics of drug ISE's (VII)--performance and theoretical treatment of microcells connected in series

A new type of MCCS (microcells connected in series) has been constructed and its performances investigated. It has been applied to the determination of streptomycin. The sensitivity and accuracy have been increased significantly. A theoretical model for the error of determination using the MCCS has been suggested and proved experimentally using the Monte Carlo method, and the error model proposed in Ref. [1] revised.     

cis-Glyco-fused benzopyran compounds as new amyloid-β peptide ligands

A small library of glyco-fused benzopyran compounds has been synthesised. Their interaction features with Aβ peptides have been characterised by using STD-NMR and trNOESY experiments. The conformational analysis of the compounds has also been carried out through molecular mechanics (MM) and molecular dynamics (MD) simulations.