Adsorption, diffusion and desorption of chlorine on and from rutile TiO2{110}: a theoretical investigation.

The adsorption, diffusion and desorption of chlorine on and from stoichiometric, reduced and partially reduced (defective) rutile TiO2{110} are investigated using ab initio density functional theory (DFT) calculations. Theoretical results are compared with experimental investigations, and microkinetic simulations based on DFT values are then used to verify the diffusion mechanisms assumed in the experimental investigations.     

Synthesis and Some Transformations of 2-(3-Amino-1-Phenylpropyl)furan

A preparative method was developed for the synthesis of ethyl furfurylidenecyanoacetate. Its condensation with phenylmagnesium bromide gave ethyl α-cyano-β-(2-furyl)hydrocinnamate, the decarboxylation of which led to β-(2-furyl)hydrocinnamonitrile. Reduction of this nitrile with lithium aluminum hydride gave 2-(3-amino-1-phenylpropyl)furan. Some of its transformations were studied.__________Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 4, pp. 517–521, April, 2005.     

Structure-Activity Relationship of Insecticidal Steroids. III. Δ4,7-6-Ketosteroids

The toxicity of steroids 1-11 for colorado beetle (Leptinotarsa decemlineata Say.) larvae was studied by contact-intestinal treatment. Active insect-growth regulators were found among the studied compounds.     

A simple synthesis of (±)-2,6-dimethylocta-5(<Emphasis Type="Italic">Z</Emphasis>),7-diene-4-ol and its attractant activity for the bark beetle <Emphasis Type="Italic">Ips typographus</Emphasis>

A simple method for the synthesis of (±)-2,6-dimethylocta-5(Z),7-diene-4-ol possessing a high pheromone activity for the bark beetle Ips typographus was developed.__________Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 2245–2247, October, 2004.     

LC-MS法分析鸡肝中的玉米赤霉醇

玉米赤霉醇(Zeranol)是一种非甾体类激素,具有促进家畜蛋白质合成和增重的作用。由于其在动物组织中残留,目前在欧盟被禁用。2002年4月我国农业部第193号公告和2002年11月农业部、国家药品监督管理局第227号公告中规定禁止使用玉米赤霉醇,但由于玉米赤霉醇作为畜禽增重剂效果好、经济回报高,仍有一些不法饲养业主受利益驱使而违法使用。为保证动物源性食品安全,维护人民身体健康,必须建立一种适用、可行、规范的残留检测方法以适应当前加入WTO的形势需要。本实验建立了高效液相色谱-质谱联用法(LC-MS)测定鸡肝中玉米赤霉醇,旨在为政府监控禽类产品中的玉米赤霉醇提供准确可靠的检测方法。     

Preparation and characterization of nitrogen-doped TiO2 photocatalyst in different acid environments

Nitrogen-doped TiO₂ powders were successfully prepared by a wet method, i.e., a micro-emulsion-hydrothermal method, in different acid environments. Several characterization techniques, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and UV-visible diffuse reflectance spectra, were combined to determine the crystal phase, concentration and chemical states of the nitrogen doped in TiO₂. The high photocatalytic activity of the nitrogen-doped TiO₂ was evaluated through the decomposition of rhodanmine B under visible light irradiation. It was suggested that the doped nitrogen formed oxynitride (NO) and produced impurity states at higher above the valence band of TiO₂. Therefore, the nitrogen doping could enhance the response of photocatalyst to the visible light and improve the photocatalytic activity because of the narrowing of band gap of TiO₂.     

目视催化褪色计时法测定超痕量钒的研究

本文基于在酸性介质中钒(V)催化溴酸钾氧化酸性铬蓝K褪色的新指示反应,建立了一个催化褪色计时法测定超痕量钒的新方法。在体系中引入活化剂抗坏血酸,灵敏度达2×10~(-12)ng/ml,测定范围在0.0l～3.0ng/ml,同时探讨了反应机理。确立了反应速率方程,方法简便经济,已用于天然水中痕量钒的测定。     

蝎型钒氧配合物的合成、结构及量子化学研究

设计合成了两种新型的以聚类吡唑硼酸盐为配体的钒氧配合物VO(acac)[HB(pz)3](1)和VO(acac)[HB(3,5-Me2pz)3]·CH3CN(2). 运用元素分析、 红外光谱和紫外光谱对所合成的配合物进行了表征, 并用X射线衍射测定了它们的晶体结构. 同时, 采用量子化学的Hartree Fock方法和自然轨道分析方法(NBO), 使用3-21G*(6d, 7f)基组计算得到了两个分子体系的分子轨道、原子电荷以及键级, 并对其结构进行了分析.     

(R)-4-Menthenone in the synthesis of optically pure sex pheromone of the peach leafminer moth (Lyonetia clerkella)

The synthesis of (14S)-methyloctadec-1-ene, sex pheromone of the peach leafminer moth (Lyonetia clerkella), is described to demonstrate a new potential of the synthetic use of (R)-4-menthenone.     

用钐和四氯化钛体系一锅法合成咪唑烷衍生物

在四氢呋喃溶液中,用Sm/TiCl4体系还原亚胺合成了咪唑烷衍生物.发现当没有促进剂1,2-二溴乙烷时,咪唑烷衍生物的产率小于20%,加入1,2-二溴乙烷后,产率大大提高.产物的结构通过IR,1HNMR和MS光谱确证.根据实验结果提出了一个可能的反应机理.