含硫化合物的量子化学性质及选择性氧化动力学

采用半经验量子力学分子轨道的PM3算法计算了油品中各典型含硫化合物的量子化学性质,通过数学回归建立了在甲酸/双氧水体系下硫原子的电荷密度与反应常数的关系。同时,选用二苯并噻吩(DBT)作为模型化合物进一步研究了该体系下含硫化合物的动力学性质。研究结果表明:含硫化合物硫原子所带电荷密度与反应常数线性相关,DBT在甲酸/双氧水体系中氧化的活化能为60kJ/mol。

NETWORK CROWN ETHER POLYMERS WITH CENTRIC FUNCTIONAL GROUPS．Ⅱ．SYNTHESIS OF NETWORK CROWN ETHER POLYMER WITH PENDANT SULFIDE SIDE CHAIN AND ITS PLATINUM COMPLEX

Network crewn ether polymer with pendant sulfide side ohain in the networkstructure units has been synthesized via ring- opening copolymerization of β-ethylthioethyl glycidyl ether and diethylene glycol bisglycidyl ether. A kind of active catalyst suitable for this reaction was suggested. The title polymer was found tobe a good ligand for platinous chloride, and the platinous complex could catalyze thehydrosilylation of olefins with triethoxysilane efficiently.

Synthesis of Some More New Sulfur Compounds Bearing Heterocyclic Systems as Biocidal Agents - Part I ： Synthetic of 2-Thioxo Thiadiazinone Derivatives

Some more new sulfur compounds bearing heterocyclic systems mainly 2-thioxo-1,3,4-thiadiazinone derivatives 2-7 and 3-thioxo-1,2,4-triazole derivatives 9 have been synthetic via alkylation, acylation and condensation of dithioic formic acid hydrazide 1 through ring closure reactions with α,β-bi functional groups compounds. Most of the obtained target showed a highly activity towards some microbial in compare with two references antibiotics, Pipercillin and Mycostatine. The structures of the products have been established from their elemental and spectral analysis.

The Electro-Physical Properties of Rhenium Chalcogenides＇ Thin Films

The electro-physical properties of thin layers of rhenium chalcogenides＇ alloys, their dynamical and static ampere-voltaic characteristics were investigated. During the investigation of static and dynamical ampere-voltaic characteristics of rectifying contact of aluminium and rhenium chalcogenides＇ alloys the switching effects were found.

SYNTHESIS OF A NOVEL CHELATING RESIN WITH HETEROCYCLIC RING OF S AND N

By the reaction of poly(bromoacetyl styrene) (EBPS) with thiaurea (TU), a kind of novel chelating resin with heterocyaclic ring of sulfur and nitrogen, poly[4-(2-amino)thiazoleyl-4- vinylbenzene], was synthesized. Its structure was characterized by FTIR and elemental analysis. The factors which have influence on the reaction such as reaction time, solvents, and molar ratio of reactants were investigated.

Longitudinal Magnetoresistance and ＂Chirar＇ Coupling in Silver Chalcogenides

A complex longitudinal magnetoresistance （MR//） effect in the non-stoichiometric silver chaJcogenides （include the silver selenide and telluride） has been found, however the mechanism for the MR// effect is not clear now. In this work, a new random resistor network for MR// effect is proposed based on the experimental observation. The network is constructed from six-terminal resistor units and the mobility of carries within the network has a Gaussian distribution. Considering the non-zero transverse-longitudinal coupling in materials, the resistance matrix of the six- terminal resistor unit is modified. It is found that the material has the ＂chiral＂ transverse-longitudinal couplings, which is suggested a main reason for the complex MR//effect. The model predictions are compared with the experimental results. A three dimension （3D） visualization of current flow within the network demonstrates the ＂current jets＂ phenomenon in the thickness of materials dearly.

Synthesis of Foliar Fertilizer and Ca-S-Si Compound Fertilizer from Titanium-bearing Blast Furnace Slag

With titanium-bearing blast furnace slag, ammonium sulfate, citric acid and potassium carbonate as raw materials to produce foliar fertilizer and Ca-S-Si compound fertilizer by means of heating process for the first time, which improved the solubility of the slag and converted the nutritional elements into such ones which are prone to be absorbed by plants. The effects of process conditions on dissolution rate of titanium were mainly analyzed through the orthogonal experiment. The results showed that the optimum synthesis process conditions of foliar fertilizer from the slag were 360 ℃ for 35 min, the mass ratio of ammonium sulfate and titanium-bearing blast furnace slag was 8：1. Under these conditions more than 80% of iron, titanium, magnesium and part of silicon in titanium-bearing blast furnace slag converted into water-soluble substances and existing in foliar fertilizer. Foliar fertilizer contained nitrogen, sulfur, potassium, iron, titanium, magnesium and silicon, and pH value of foliar fertilizer was 6. Ca-S-Si compound fertilizer mainly contained calcium silicate and calcium sulfate, which existed in the form of citric acid-soluble substance and slightly soluble substance, respectively.

Synthesis and Re-refinement of Cu_3PSe_4

The title compound Cu3PSe4 was synthesized by the reaction of CuCl, P2Se5 and Se in a molar ratio of 1:1:1 at 500 C and structurally characterized by X-ray crystallography. The crystal belongs to orthorhombic, space group Pmn21 with cell parameters: a = 7.685(2), b = 6.656(1), c = 6.377(1) , V = 326.2(1) 3, Z = 2, Dc = 5.472 g/cm3, Mr = 537.43, F(000) = 476, m = 32.12 mm-1, R = 0.0642, wR = 0.1481 and S = 1.037. The 3-D structure can be regarded as constructed from the alternately stacking of [Cu(2)Se4] tetrahedral layers and Cu(1)PSe tetrahedral layers along the b direction, in which the Cu(2)Se layer is comprised of corner-sharing [Cu(2)Se4] tetrahedra along the a and c directions, and the Cu(1)PSe layer is consisted of alternately corner-sharing [Cu(1)Se4] tetrahedra and [PSe4] tetrahedra along the a and c directions.

Synthesis and Molecular Structure of 5, 5-Dimethyl-2- (4' -methoxy)phenyl-1, 3, 2- thiazaphospholidine-4-thione 2-sulfide

A five-membered phosphoroheterocycle, 5, 5-dimethyl-2-(4 -methoxy)phenyl-1, 3, 2-thiazaphospholidine-4-thione 2-sulfide, has been prepared by the reaction of Lawessons reagent (LR) with -hydroxyl isobutyronitrile, and its crystal structure was determined by X-ray diffraction method. The title compound (C11H14NOPS3) is triclinic with space group P , a= 6.8418 (9), b= 10.5467 (1), c= 11.5670 (2)? = 114.851 (2),β= 100.291 (2),γ= 91.390 (3)? V= 740.7 (2) 3, Z= 2, Dc= 1.360 g/cm3, λ= 0.71073 ? μ(MoK?= 0.59 mm-1, F(000)= 316. The Structure was refined to R= 0.0476, wR= 0.1272 for 2549 unique reflections with I >2σ(I). It contains a phenyl ring and a 5-membered phosphoroheterocycle with the dihedral angle of 87.06 (9)? The five atoms (P (1), N (1), C (1), C (2) and S (2)) of the heterocycle are nearly coplanar. In view of the unit cell it can be concluded that there exists an intermolecular hydrogen bond in the form of Sa┈HN (a: X, Y+1,Z+1). The existence of dpлbond between P (1) and N (1) was found as well as unsaturated property of N (1)C (1) moiety.

Removal of Thiophenic Sulfur Compounds from Oil Using Chlorinated Polymers and Lewis Acid Mixture via Adsorption and Friedel-Crafts Alkylation Reaction

For efficient removal of thiophenic sulfur （S-） compounds from oils, a novel method is proposed here, i.e. one-pot alkylation desulfurization （OADS）, in which oil insoluble chlorinated polymer such as polyvinyl chlo- ride （PVC） is used as the alkylating regent with Lewis acid as catalyst. The aromatic S-compounds are grafted to the polymer through Friedel-Crafts reaction and removed facilely along with the polymer. The OADS mechanism is identified by scanning electron microscope and analyzer with surface area and pore size of the polymer. The influ- ence of some factors on the OADS is studied, e.g. the type and amount of chlorinated polymers and Lewis acids. It is nroved that thionhene and benzothioDhene can be removed efficiently from oil by PVC＋AlCl3 mixture even in the presence of 25% （by mass） of benzene due to the synergetic effects of the adsorptive desulfurization of AlCl3 and the alkylation desulfurization of PVC.

Effects of compound 209 on colorectal cancer cell HT-29 in vivo and in vitro

Compound 209 is a newly synthesized dithiocarbamate derivative with antiproliferation activity in vitro, however, its antitumor effect in vivo and the underlying mechanisms have yet to be identified. We explored the antitumor effect of compound 209 and the possible mechanisms for its inhibition of the growth of HT-29 xenograff tumor and proliferation of HT-29 cells. Cell proliferation was evaluated with SRB assay in vitro. The results showed that compound 209 had significant antiproliferation activity on HT-29 cells. Furthermore, the xenograff HT-29 nude mouse model was used to study the antitumor effect of compound 209 in vivo. We found that compound 209 significantly inhibited tumor growth and did not cause loss of body weight or leukocytopenia. Analysis by flow cytometry indicated that compound 209 arrested HT-29 cell cycle in G~ phase. Western blotting analysis suggested that compound 209 increased the expression of p27, cyclin E, CDK2, cyclin D1 and CDK4. These results demonstrated the antitumor effect of compound 209 and its potential use as an anticancer drug.