Clathrate formation in water-cyclic ether systems at high pressures

Experimental data on the investigation of the water-trimethyleneoxide system,P, t, x phase diagram (up to 6 kbar) are presented. The results are compared with those on water systems with ethyleneoxide, 1,3- and 1,4-dioxane, 1,3-dioxolane and tetrahydrofuran, on the basis of which a summarizedP, t, x diagram is plotted for water-cyclic ether systems. It is shown that in all the systems in which a cubic structure II hydrate forms at 1 bar, it eventually turns to cubic structure I under pressure. The nature of high pressure hydrates is discussed.Dedicated to the memory of D. W. Davidson.     

联机卡尔曼滤波光度法同时测定混合体系中5种合成食用色素

我国法定可使用的合成食用色素主要有5种。即苋菜红、胭脂红、柠檬黄、日落黄和亮蓝。根据调色需要,它们常被混合配置应用.目前一般采用高效液相色谱和层析分离法分析,但尚缺少可靠的同时测定此5组分的化学计量学方法,Loosbroek曾用卡尔曼滤波光度法鉴     

Cyanex 923-H2SO4体系萃取第3相的形成和应用

三相体系;Cyanex 923-H2SO4体系萃取第3相的形成和应用     

二、三分枝甘露糖簇衍生物的合成

采取一种有效途径合成了二、三分支的甘露糖簇分子．甘露糖经烯丙苷化、乙 酰基保护后，将其烯丙基的双键氧化得到带有羧基连接臂的甘露糖衍生物，然后再 分别与l，6-己二胺和三(2-氨乙基)胺进行缩合反应，最后脱掉保护基，得到二分 枝甘露糖簇化合物6和三分枝甘露糖簇化合物8．     

Detection of processed genetically modified food using CIM monolithic columns for DNA isolation

The availability of sufficient quantities of DNA of adequate quality is crucial in polymerase chain reaction (PCR)-based methods for genetically modified food detection. In this work, the suitability of anion-exchange CIM (Convective Interaction Media; BIA Separations, Ljubljana, Slovenia) monolithic columns for isolation of DNA from food was studied. Maize and its derivates corn meal and thermally pretreated corn meal were chosen as model food. Two commercially available CIM disk columns were tested: DEAE (diethylaminoethyl) and QA (quaternary amine). Preliminary separations were performed with standard solution of salmon DNA at different pH values and different NaCl concentrations in mobile phase. DEAE groups and pH 8 were chosen for further isolations of DNA from a complex matrix-food extract. The quality and quantity of isolated DNA were tested on agarose gel electrophoresis, with UV-scanning spectrophotometry, and by amplification with real-time PCR. DNA isolated in this way was of suitable quality for further PCR analyses. The described method is also applicable for DNA isolation from processed foods with decreased DNA content. Furthermore, it is more effective and less time-consuming in comparison with the existing proposed methods for isolation of DNA from plant-derived foods.     

Microwave-assisted direct addition of cycloethers to alkynes

Under microwave conditions, tetrahydrofuran (THF), tetrahydropyran and 1,4-dioxane are added directly onto alkynes and generated various vinyl cycloethers.     

甲烷—空气燃烧中NOx生成的简化模型研究

用特征值－特征向量法对甲烷－空气燃烧时ＮＯＸ生成的化学反应机理进行了简化，得到了仅由１５个基元以应组成的简化反应模型。对比计算结果表明，该模型能在较宽燃空比内与全面模型很好吻合，因而可望用于燃烧过程数值模拟时对ＮＯＸ生成的预测     

反相微乳液法制备纳米Al2O3颗粒及其形成反应机理的研究

通过聚乙二醇辛基苯基醚(曲拉通X-100)/正丁醇/环己烷/水溶液形成的体系, 采用反相微乳液法合成了Al₂O₃纳米粒子. 对前驱体进行热分析(TG-DTG-DTA), 确定了合适的煅烧温度为1150 ℃. 采用X射线衍射(XRD)、透射电镜(TEM)、紫外可见分光光度法(UV-vis)分别对产物的结构、粒度和形貌进行了表征, 考察了微乳液中水与表面活性剂的物质的量之比(ω_o)、煅烧温度和煅烧时升温速率等关键因素对产物形貌和晶相的影响, 并通过分析进一步揭示了Al₂O₃纳米粒子的形成机理. 结果表明, 控制ω_o为10、煅烧温度为1150 ℃可得到分散性好、粒径分布均匀的Al₂O₃纳米粒子, 且2 ℃/min的升温速率更有利于产物向稳定的α晶相转变.     

Quantum chemical studies on the structures, properties and decomposition of the azido derivatives of trinitrobenzenes

The geometries,heats of formation and electronic structures of 15 azido-derivatives of 1,2,3-TNB (Ⅰ),1,2,4-TNB (Ⅱ) and 1,3,5-TNB (Ⅲ) have been studied using quantum chemical AMI method at HF level.The effect of azido substitution on the structures and properties of TNBs has been discussed and the relative stability of the title compounds has been established.The processes of the decomposition of the title compounds by breaking C-NO2,C-N3 and CN-N2 bonds are investigated at UHF-AM1 level.It is shown that the decomposition of the title compounds may be initiated by the cleavage of both C-NO2 and N-N2 bonds.     

(TiNi)_x(x=2~4)团簇结构和电子结构

从团簇角度对TiNi形状记忆合金进行了量子化学从头算研究。设计并优化了等原子比(TiNi)x(x=2~4)簇的多种可能几何结构,并对较稳定构型进行电子结构的分析。结果表明,等原子比的(TiNi)n团簇以TiNi成键为主要分子骨架,小团簇有较多能量接近的异构体,TiTi成键对能量降低有较大贡献。