Facile synthesis of a melt-spinnable polyborazine from asymmetric alkylaminoborazine

<正>A novel asymmetric alkylaminoborazine monomer,2-propylamino-4,6-bis(methylamino)borazine,was synthesized for the first time,and directly polymerized to give a melt-spinnable polyborazine(PBN).This asymmetric alkylaminoborazine was synthesized by an aminolysis reaction of 2,4,6-trichloroborazine(TCB) with different amines under mild conditions.This route turns out to be much cheaper and simpler than the conventional routes.The chemical composition,structure,molecular weights and ceramic yield were investigated by EA,FTIR,NMR,GPC and TG analysis.The PBN exhibits suitable rheological property for melt-spinning, which suggests that it is a potential precursor for BN fibers.     

二芳基三嗪类HIV-1逆转录酶抑制剂的分子对接及3D-QSAR研究

对40个二芳基三嗪类HIV-1逆转录酶抑制剂进行了分子对接研究,结果表明,2个疏水性芳香取代基团与结合口袋底部形成的疏水和范德华相互作用、三嗪环母核及其R4取代基与结合位点产生的氢键和静电作用以及R4取代基与袋口形成的空间位阻效应是影响该系列化合物活性的重要因素.根据对接优势构象进行分子叠合和比较分子相似性指数分析(C...     

High performance liquid chromatography with immobilized Ru(bpy)_3~(2+)-KMnO_4 chemiluminescence detection and its application in metabolism of repaglinide in pig liver microsomes

A novel high performance liquid chromatography-chemiluminescence（HPLC-CL） method for investigation of in vitro metabolism of repaglinide in pig liver microsomes with microdialysis sampling technique was developed.The chromatographic separation was performed on a Hypersil BDS-C18 column with an isocratic mobile phase consisting of methanol and 0.01 mol/L KH₂PO₄（pH 3.0）（volume ratio 75:25） at a flow rate of 1.0 mL/min.The detection was based on the chemiluminescence reaction of repaglinide with acidic potassium permanganate（KMnO₄） and tris（2,2’-bipyridyl）ruthenium（Ⅲ）(Ru（bpy）₃³⁺),which was immobilized on the cationic ion-exchange resin for obtaining high sensitivity and reducing consumption of expensive reagent.     

DEGREE OF BRANCHING OF THE HYPERBRANCHED POLYMERS RESULTED FROM AB_2 POLYCONDENSATION WITH SUBSTITUTION EFFECT

The analytical expressions of the various structural units and the average degree of branching for the hyperbranched polymers resulted from AB_2 polycondensation with substitution effect were derived by the kinetic mechanism.The reactivity difference between the B group in linear unit and that in terminal group has great effect on the molecular parameters of the products obtained.The concentration of terminal units has a maximum with the increase of the conversion of A groups(x).The higher the reactivity...     

Kinetic study of oxidative coupling of methane over Mn and/or W promoted Na_2SO_4/SiO_2 catalysts

A comprehensive kinetic model for oxidative coupling of methane(OCM)over Mn and/or W promoted Na2SO4/SiO2 catalysts was developed based on a micro-catalytic reactor data.The methane conversion and ethylene,ethane,carbon monoxide and carbon dioxide selectivities were obtained in a wide operating condition range of 750 - 825-C,CH4/O2=2.5 - 10 and contact time=267 - 472 kg s m-3.Reaction networks of six models with different rate equation types were compared together.The kinetic rate parameters of each reaction network were estimated using linear regression or genetic algorithm optimization method(GA).A reaction network suggested by Stansch et al.for OCM was found to be the best one and was further used in this work.The suggested model could predict the experimental results of OCM reaction within a deviation range of ± 20%.     

Novel degradable polymer networks containing acetal components

A novel copolymer network with acetal structure was prepared using bis[4-(vinyloxy)butyl](4-methyl-1,3-phenylene)biscarbamate(BECT)as the crosslinking agent.Firstly,a tri-copolymer of maleic anhydride(MAn),n-butyl vinyl ether(BVE)and 4-hydroxybutyl vinyl ether(HBVE)was synthesized via free-radical polymerization with 2,2′-azobisisobutyronitrile as the initiator.The tri-copolymer consisted of two sorts of alternating units,MAn-alt-BVE and MAn-alt-HBVE.The linear copolymer Poly((MAn-alt-BVE)-co-(MAn-alt-HBVE)...     

Two-dimensional like conjugated copolymers for high efficiency bulk-heterojunction solar cell application:Band gap and energy level engineering

Three two-dimensional like conjugated copolymers PFSDCN,PFSDTA and PFSDCNIO,which consist of alternating fluorene and triphenylamine main chain,and different pendant acceptor groups (malononitrile,1,3-diethtyl-2-thiobarbituric acid and 2-(1,2-dihydro-1-oxoinden-3-ylidene)malononitrile) with thiophene as π-bridge,have been designed,synthesized and characterized.The structure-property relationships of the two-dimensional like conjugated copolymers were systematically investigated.The absorption spectra,band g...     

Effects of surfactants on enzyme-containing reversed micellar system

With the development of colloid interface and enzyme technologies,enzyme-containing reversed micellar system has been receiving much attention in bioseparation and bioconversion. Because of its high efficiency,it has brought new opportunities for the development of molecular biotechnology. Reversed micelles represent nano-sized aqueous droplets stabilized by surfactant amphiphiles inside the bulk organic solvents. The entrapped enzymes have enhanced activities under those conditions as suited in the lipid b...     

Density functional theory study of the mechanism of the acid-catalyzed decarboxylation of pyrrole-2-carboxylic acid and mesitoic acid

The mechanisms of the acid-catalyzed decarboxylation of pyrrole-2-carboxylic acid and mesitoic acid have been investigated based on density functional theory calculations at the B3LYP/6-311G (d,p) level. A polarizable continuum model (PCM) has been established in order to evaluate the effects of solvents on these reactions. The results of the calculations indicate that the first step of the acid-catalyzed decarboxylation of the pyrrole-2-carboxylic acid has two possible pathways,that is,the proton of H3O+ a...     

Structures and properties of functional metal iodates

Metal iodates with a lone-pair containing I(V) that is in an asymmetric coordination geometry can form a diversity of unusual structures and many of them are promising new second homonic generation (SHG) materials. They exhibit wide transparency wavelength regions, large SHG coefficients and high optical-damage thresholds as well as moderately high thermal stability. In this paper, the structures and properties of the metal iodates are reviewed. The combination of d0 transition-metal cations with the iodate...