MoO3、NiO、ZnO在小表面金红石上的分散行为

Dispersion of MoO3, NiO, ZnO on rutile TiO2 with low specific surface area was studied with Mercury Porosimeter, SEM, XPS and Ammonia Extraction method. The dispersion thresholds of MoO3, NiO, ZnO on three rutile TiO2 carriers were obtained with XPS, and com-pared with those on anatase TiO2 with high specific surf are area. Ammonia Extraction method was used to identify the surface oxide species interarting with support surface in different strength and it was found that the proportions of oxides that can not be extracted by ammonia extraction are different for MoO3, NiO and ZnO which are supported on rutile TiO2.     

苄氧羰酰脯氨酰丙氨酰苏氨酰叔丁酯晶体结构的研究

用X射线晶体学方法测定了含有保护基的三肽(Z-Pro-Ala-Thr(But)_2)的晶体结构和分子构象.其结晶属正交晶系,空间群为P2_12_12_1,晶胞参数a=29.557A,b=11.583A,c=8.830A,z=4.用PW-1100四圆衍射仪收集衍射强度数据,用直接法解结构,使用MULTAN-80计算机程序系统.用块矩阵最小二乘方法修正结构,最终的R=0.088(不包括氢原子). 分子中丙氨酸的构象趋近屏蔽式,形成肽链的转折.脯氨酸与保护基之间形成的“肽键“是顺式结构.脯氨酸侧链的吡咯烷环五个原子不在一个平面上,C~β和C~γ分别向相反方向偏离平面.相邻的肽基团平面之间的交角都接近90°.分子之间存在氢键,它使分子沿晶体z方向无限伸展形成分子链.晶体沿x和y方向的分子间作用力为范氏力.保护基(Z)在分子堆积中起重要作用。     

氧化物表面单层改性对SnO2超微粒子热稳定性的影响

研究了氧化物在气敏材料二氧化锡超细粉表面的分散行为及分散量的二氧化锡热稳定性的影响,结果表明,氧化铜,氧化镍,氧化铋和氧化锌在二氧化锡表面均能单层分散,分散阈值均与按密置单层模型计算的最大分散容量相符,负载二氧锡的表面覆盖度与其稳定性之间有很好的对应关系,单层覆盖率达到一定程度二氧化锡高温烧结便可基本得到抑制。     

Urokinase片断的二级、三级结构预测及构效关系研究

urokinase(简称UK)属于絲氨酸蛋白酶,其一级结构已经测定。去掉前135个残基后得到的低分子量UK(LUK)氨基酸残基的顺序与糜胰蛋白酶、胰蛋白酶等絲氨酸蛋白酶十分类似。从二硫桥的配置来看LUK与糜胰蛋白酶比较接近,而UK对Lys侧链处肽键的专一性则和胰蛋白酶相近。在这一类酶中,起到活性中心作用的氨基酸为Ser195,His57及Asp102.在UK中此三个氨基酸都保留了下来。蛋白水解酶中起专一性作用的残基主要是     

超导相Tl2Ba2CuO6的制备和晶体结构研究

The superconducting phase Tl_2Ba_2CuO_6 with onset T_C 85 K and zero resistivity at 61 K has been prepared. The unit cell is body-centred tetragonal, space group I_4/mmm, lattice parametrs a=0.3866(1) nm, c=2.3180(3) nm. The relation between structural features and its superconductivity was discussed.     

THE EFFECT OF ADDITIVE La_2O_3 ON THE DISPERSION AND THERMOSTABILITY OF NICKEL IN METHANATION CATALYST

It is showed that La_2O_3 and NiO could disperse on γ-Al_2O_3 as a monolayer and theirutmost monolayer capacities determined by quantitative XRD are 0.28g/100m~2 and 0.09g/100m~2respectively. In the methanation catalyst, Ni/La_2O_3/γ-Al_2O_3, the La_2O_3 is dispersed on thesurface of γ-Al_2O_3 as a monolayer and the metallic nickel crystallites are supported on thesurface with La_2O_3. It has been found by the XRD peak broadening that the average size ofnickel crystallites on the surface with La_2O_3 is much smaller than that without La_2O_3. Thismay be one of the main reasons for the increase of activity and thermostability of the La_2O_3containing methanation catalyst. This idea of modifying support surface by monolayercompound can also be applied to other catalysts.     

SPONTANEOUS DISPERSION OF SOME ACTIVE COMPONENTS ONTO THE SURFACES OF CARRIERS

If an ionic or molecular crystalline solid is mixed with a carrier of high specific surface and then heated at a suitable temperature below its melting point for several hours, the crystalline solid will disperse spontaneously onto the surface of the carrier. It has been proved by the fact that the X-ray diffraction peaks of the crystalline phase either diminish sharply or disappear completely according as whether the amount of the solid mixed with each unit weight of carrier exceeds the critical amount or not and this critical amount of solid is closely related to and usually varies directly as the specific surface of the carrier.If the active component of a catalyst is a compound instead of a metal, and its quantity is not enough to cover the surface of the carrier, it often disperses somewhat as a monolayer, because the ions or molecules of the active component combine strongly with the surface ions or groups of the carrier. This paper presents some fundamental points and methods of investigation in     

ZnO-TiO2的表面结构与表面性质

本文通过XRD相定量及低能离子散射谱研究了ZnO-TiO_2体系的结构. 实验表明, ZnO单层分散在TiO_2表面上, ZoO与TiO_2之间的结合较弱, 这种表面结合并不导致新的表面酸位。本文还讨论了ZnO-Al_2O_3、ZnO-SiO_2、ZnO-TiO_2三种含锌二元氧化物在结构、性能方面的明显差异及其根源。     

甲醛在Ni(110)面上分解的分子轨道研究

本文应用CNDO方法研究了H_2CO在Ni(110)面上的分解反应。证明了金属镍使H_2CO对称禁阻的热分解反应变成了对称允许反应; 讨论了H_2CO在Ni(110)面上的各种吸附模型; 论证了卧式多中心吸附作为H_2CO分解的中间步骤。     

关于静电作用对酶活性部位残基pKa影响的定量计算

随着基因技术的发展,人们几乎已经可以任意替换蛋白质序列中的特定残基。由于理论上对蛋白质性能的预测工作还远远跟不上实验的发展,只能花费大量的人力、物力利用实验方法筛选突变体。这就迫切需要建立一套能够正确预测蛋白质性质的方法。静电作用在酶促反应中起到了重要作用。基于表面带电残基对酶活性部位残基pK_α的影响,可利用替换表面残基的方法改变酶促反应随pH的变化趋势,是蛋白质工程研究中的一种有效方法。由于表面极性残基处于高介电常数的溶剂(水)与低介电常数的蛋白质的界面上,对此问题尚未有圆满的理论方法进行解决。我们利用Kirkwood理论定量地表述了表面荷电残基的替换对酶活性部位残基pK_α的影响,为研究酶突变体的性质,如突变体的电化学性质、酶催化反应随pH变化趋势的改变,酶专一性的改变等提供了一种简便的方法。