Novel hydrogen-bonded three-dimensional network complexes containing cobalt-pyridine-2,6-dicarboxylic acid

The novel complex, Co(H₂O)₅[Co(2,6-pydc)₂] (1) has been prepared in aqueous solution and characterized by single-crystal X-ray diffraction, elemental analyses and i.r. spectra. X-ray structural analysis revealed that three novel compounds each possess both – stacking and hydrogen-bonding interaction three-dimensional (3-D) networks.     

Synthesis of New Chiral C2-Symmetrical Bis(oxazoline )Compounds

New chiral C2-symmetrical bis(oxazoline)compounds bearing one isobutyl-,secbutyl-benzyl- or isopropyl-substituent at the 4-position have been prepared and characterized.     

大庆渣油族组分非等温热反应的研究

采用动态热重分析法在升温速率为６．２Ｋ·ｍｉｎ￣（－１）及惰性气流量１００ｃｍ￣３·ｍｉｎ￣（－１）的条件下，对大庆渣油族组分的热转化行为进行了考察，获得了族组分的热转化速率峰值、速率峰值处的反应温度、转化率和剧裂分解温度区间等动力学基本数据以及各族组分的生焦性能。数据分析表明，族组分的热反应活性顺序为：饱和分＞胶质＞芳香分＞沥青质。在大庆渣油族组分热转化的两个温区内，采用分段一级动力学模型较好地拟合了实验数据，确定了各族组分在两个温区内的热反应动力学参数。     

Nonalkaloid Constituents from Stemona japonica

Five new nonalkaloid constituents, a neolignan, japonin A ( 1 ), a macrocyclic lactone, japonin B ( 2 ), a (phenylethyl)benzoquinone, japonin C ( 3 ), a phenanthraquinone, japonin D ( 4 ), as well as a dihydrostilbene, stilbostemin M ( 5 ), were isolated from the roots of Stemona japonica, together with eight known compounds. Their structures were established by spectroscopic analyses.     

Two salts of 5‐sulfosalicylic acid and 3‐aminopyridine

5‐Sulfosalicylic acid (5‐SSA) and 3‐aminopyridine (3‐APy) crystallize in the same solvent system, resulting in two kinds of 1:1 proton‐transfer organic adduct, namely 3‐aminopyridinium 3‐carboxy‐4‐hydroxybenzenesulfonate monohydrate, C₅H₇N₂⁺·C₇H₅O₆S⁻·H₂O or 3‐APy·5‐SSA·H₂O, (I), and the anhydrous adduct, C₅H₇N₂⁺·C₇H₅O₆S⁻ or 3‐APy·5‐SSA, (II). Both compounds have extensively hydrogen‐bonded three‐dimensional layered polymer structures, with interlayer homo‐ and heterogeneous π–π interactions in (I) and (II), respectively.     

New antitumor triterpene saponin from Lysimachia capillipes

One new saponin, named capilliposide D (1), and a known saponin, candidoside (2), were isolated from the whole plants of Lysimachia capillipes. Their structures were determined by 1D and 2D NMR, MS techniques, and chemical methods. Published in Khimiya Prirodnykh Soedinenii, No. 3, pp. 268–270, May–June, 2006.     

含吡唑啉酮三脚架结构的化合物及其稀土配合物的合成、表征及荧光性能

合成了一种含吡唑啉酮的三脚架结构化合物 1,1,1 三 { 1′ [2′ 氧杂 5′ 氧代 5′ ( 1″ 苯基 3″ 甲基吡唑啉酮 4″ 基 )戊基 ] }丙烷 (H3 L)及其 7个稀土配合物。通过元素分析、摩尔电导、质谱、红外光谱、核磁共振谱、荧光光谱等对H3 L及其稀土配合物的组成及性质进行了表征。分析结果表明 :H3 L的分子式为C45H50 N6O9,配合物的组成比为REL·0 5H2 O (RE =La ,Sm ,Eu ,Gd ,Tb ,Dy ,Yb) ;该三脚架形配体分别以醚氧、烯醇氧及吡唑酮环上的羰基氧与稀土离子进行配位 ,形成内配型配合物。荧光光谱分析表明SmL·0 5H2 O ,EuL·0 5H2 O ,TbL·0 5H2 O ,DyL·0 5H2 O配合物具有三价稀土离子的特征线状荧光 ,其中TbL·0 5H2 O的荧光强度最强 ,表明T(配体 )→5D4(Tb)能级更为匹配 ,从而进行分子内能量有效传递 ;由EuL·0 5H2 O的荧光光谱图形推测 ,Eu3 +离子在该配合物中处于非对称中心     

溶剂热法制备纳米氧化镍及其表征

以乙酰丙酮镍、油酸、油胺为原料，十八烯为溶剂，聚乙烯吡咯烷酮为表面活性剂，采用溶剂热法，在不同反应条件制备了纳米级氧化镍材料.通过X射线衍射（X-ray diffraction，XRD）、透射电子显微镜（Transmission electron microscope，TEM）、紫外-可见光吸收光谱（Ultraviolet-visible spectroscopy，UV-Vis）光谱分析以及塔菲尔（Tafel）测试考察了反应物比例、保温时间、表面活性剂（PVP）、油胺的量对产物微结构、粒径、形貌、光学以及电化学活性性能的影响.实验结果表明：在反应物n[Ni（acac）₂]∶n（OA）=1∶2、添加剂PVP质量分数为1.66%、油胺物质的量为30 mmol、200℃下保温8 h时，可获得粒径约为30～40 nm纯相氧化镍，具有最佳电化学活性，交换电流密度为J₀=1.23×10^-2 mA·cm^-2.     

Highly enantioselective hydrogenation of N-phthaloyl enamides

Rh- or Ru-catalyzed highly enantioselective hydrogenation of N-phthaloyl enamides is presented. Electron-rich TangPhos and DuanPhos are found to be effective ligands for Rh-catalyzed hydrogenation of α-aryl enamides and up to 99% ee has been achieved. In contrast, for the hydrogenation of α-alkyl enamide, the Ru-C₃-TunePhos complex is more effective and up to 69% ee can be observed. This work is the first report of the hydrogenation of N-phthaloyl enamides.     

3 D-QSAR Analysis of Agonists of nAChRs： Epibatidine Analogues

A 3 D-QSAR about nAChRs agonists epibatidine analogues was performed using theCoMFA and CoMSIA. The correlation coefficients were R2cv = 0.546, R2cv = 0.907 in CoMFA andR2cv = 0.655, R2,~ = 0.962 in CoMSIA of the final model. The prediction using the final models tothe test set was r2 = 0.675 in CoMFA and r2 = 0.462 in CoMSIA. This model will be useful in thedesign of novel compounds with high affinity.