Energy barriers to carousel rearrangements of carbocations: Quantum-chemical calculations vs. experiment

By DFT method energy barriers were calculated for carousel rearrangements of bicyclo[3.1.0]hexenyl, cyclobutenyl, and homotropylium cations. A plausible agreement between calculated and experimental findings was found.     

鲁氏毛霉发酵产物壳聚糖硫酸酯化的研究

利用鲁氏毛霉(Mucor rouxii)3.2545发酵产生壳聚糖,然后用氯磺酸/甲酰胺方法对壳聚糖进行硫酸酯化,当底物壳聚糖用量为1g时,其最佳反应条件为:10mL甲酰胺中氯磺酸添加量为3.0mL;反应温度为70℃;反应时间为3.Oh.其中反应温度对反应的影响最大.在最适反应条件下,壳聚糖硫酸酯的硫含量可以达到16.04%.通过红外光谱分析,发现壳聚糖已经成功地被硫酸酯化,而且结构与肝素相似.此外,所得产物还具有抗凝血和抗血栓的性质,其抗血栓的性质优于肝素.     

SO_4~(2-)/TiO_2固体超强酸新制备方法及其对形成邻苯二甲酸二丁酯的催化活性

建立了用钛白粉制备固体超强酸SO42-/TiO2的新方法.考察了超强酸SO42-/TiO2的制备条件对催化邻苯二甲酸酐和正丁醇酯化反应的催化活性的影响.实验表明,以合成的超强酸为催化剂,在160℃反应4h,邻苯二甲酸二丁酯的产率大于99%.     

扩散限制聚集与粘性指化图案的模拟研究

扩散限制聚集与粘性指化图案的模拟研究顾健德，田安民，鄢国森（四川大学化学系，成都，６１００６４）关键词ＤＬＡ，粘性指化，计算机模拟大自然经常以非常奇妙的方式向人们展示其魅力，吸引人们不断去思考和探索．四川大学图书馆文献阅览室的玻璃顶棚上出现的粘性指化...     

THE SEPARATION,PURIFICATION AND DECOLORIZATION OF NEW ANTIBIOTICS-MILUPEINAN USING ADSORPTION RESIN

1. INTRODUCTION Fig.1 The Chemical Structure of Milupeinan As a new type of antibiotics Milupeinan, not only possesses antibacterial activities against a wide range of Gram-positive and Gram-negative bacteria, but also higgh stability under th…     

Discovery of High-Pressure Basic Granulite Terrain in North China Archaean Craton and Preliminary Study

High-pressure basic granulite terrain of 2.65 Ga from Jiouhuai'an in the junction of the Hebei and Shanxi provinces was discovered and reported recently. The three metamorphic mineral assemblages and their mineral reaction texture of the basic granulites have been identified, which represent three main metamorphic episodes of 1.4—1.5 Gpa, 800℃; 0.7—0.9 Gpa, 820℃ and 0.5—0.6 Gpa, 700℃. Their steep decompressional clockwise P-T path implies that a late Archaean continental collision and sole thrusting event perhaps occurred in North China Craton. This is important to study petrogenesis of high-pressure granulites, composition and texture of deep crust in North China Craton, and early Precambrian collision tectonism.     

金属-有机骨架MIL-101(Cr)掺杂聚合物整体柱的制备及其用于酚类化合物的在线固相萃取

制备了金属-有机骨架（MOF）MIL-101（Cr）掺杂聚合物整体柱，建立了在线固相萃取-高效液相色谱检测水中4-硝基苯酚、2-硝基苯酚、3-甲基苯酚和2，4-二氯苯酚的方法。考察了样品溶液pH值、上样时间、上样流速和解吸时间对酚类化合物萃取效果的影响。在最优萃取条件下，采用制备的整体柱检测水中酚类化合物，其富集因子高，线性范围宽，精密度好，检出限低，适用于水中酚类化合物的检测。制备掺杂聚合物整体柱是促进和拓宽MOFs在线固相萃取应用的有效方法之一。     

室温熔盐二(三氟甲基磺酸酰)亚胺锂-尿素体系的分子动力学模拟

应用分子动力学模拟了25 ℃和50 ℃时新型室温熔盐二(三氟甲基磺酸酰)亚胺锂[LiN(SO2CF3)2, LiTFSI]与尿素(摩尔比为1:3.6)体系的结构与动力学性质. 在两个温度下体系的微观结构基本相同, Li+的配位数约为5, 且都是与溶剂和阴离子中的氧原子发生配位. 对TFSI-的研究表明, 每个TFSI-只提供四个氧中的一个与Li+配位; 而且在Li+的配位层中, TFSI-具有顺、反和gauche 等不同的构象, 并且不同构象出现的几率会随着温度的改变而改变.     

头发锌含量测定的应用价值评价

以114例2－5岁儿童为对象，同时取其末梢血和头发，测定锌含量。以全血锌值为标准，评价头锌测定的应用价值。结果显示，头发锌测定的灵敏度可达86．1％，特异度为52．4％，符合率为73．7％。     

The rotation and the phase transition in solid C60

The interaction between C60's in solid C60 has been calculated by (exp-6-1) potential, and the cause and the controlled factor of the high rapid rotations of C60 's were discussed. In order to describe the disordered degree of C60 rotation, an equivalent M is introduced. The phase transitions at the ~260 K and at the ~90 K are studied from the viewpoint of C60 rotation. The potential barriers of the ordered rotation below the ~260 K and the disordered rotation above the ~260 K have been given, and the effect of the external pressure on the temperature of phase transition has also been given.