假耧斗菜碱的二维核磁共振研究

利用1D和2D NMR及NOE差谱等方法研究了首次从自然界分离到的头对尾型BBI生物碱假耧斗菜碱(Paraquileginine)的化学位移及立体结构,对其:¹H和¹³C NMR谱线进行了全归属。本工作对研究毛莫科植物的化学分类及寻找新的有生物功能的天然药物具有参考价值。     

(Fe0.1Co0.55Ni0.35)78Si8B14金属玻璃的晶化过程及压力的影响(Ⅰ)——晶化时的相析出过程

用X射线衍射法研究了(Fe_0.1Co_0.55Ni_0.35)₇₈Si₈B₁₄金属玻璃在常压下及20kbar高压下晶化过程中的析出相及析出过程。结果表明在上述压力下晶化过程都分成两个阶段,分别对应于初级晶化和共晶晶化。在常压下,初级晶化时析出fcc-Co晶体,而共晶晶化对应着Ni₃₁Si₁₂和(FeCoNi)₃(SiB)相的析出。随着回火温度的增高或时间的延长,(FeCoNi)₃(SiB)相逐渐转变为(FeCoNi)₂₃B₆相。20kbar高压下的晶化析出过程与常压下不同的是:提高了晶化温度,在共晶晶化阶段出现了Co₂B相。此外,压力还阻止(FeCoNi)₂₃B₆相的形成。从热力学和动力学的角度讨论了压力对金属玻璃晶化过程的影响。 关键词：     

SO_2和NO_2在γ-Al_2O_3(110)表面吸附的第一性原理计算

采用基于平面波基组的Vienna Ab-initio Simulations Package (VASP)程序研究了SO_2和NO_2在γ-Al_2O_3(110)表面和羟基化γ-Al_2O_3(110)表面的吸附,获得了SO_2和NO_2吸附的不同构型和结构参数.对吸附能,电荷转移,差分电荷密度和投影态密度等进行分析和讨论.对比发现,在γ-Al_2O_3(110)表面SO_2的吸附能力强于NO_2.SO_2或NO_2在非羟基化γ-Al_2O_3(110)表面吸附时O原子的2p轨道和Al原子的3s3p轨道作用形成O-Al键,且SO_2吸附时键结强度高于NO_2.NO_2吸附时费米能级以下有部分反键态,削弱了与γ-Al_2O_3(110)表面相互作用.在羟基化γ-Al_2O_3(110)表面SO_2或NO_2的吸附能力会低于非羟基化表面,但是SO_2的吸附能力依旧强于NO_2.计算结果说明SO_2与γ-Al_2O_3(110)表面的相互作用强于NO_2.以上研究,将有助于理解SO_2和NO_2在γ-Al_2O_3的反应性,为进一步研究它们的非均相转化和在灰霾形成中的促进作用奠定基础.     

Path Collapse for an Inhomogeneous Random Walk

On an open interval we follow the paths of a Brownian motion which returns to a fixed point as soon as it reaches the boundary and restarts afresh indefinitely. We determine that two paths starting at different points either cannot collapse or they do so almost surely. The problem can be modelled as a spatially inhomogeneous random walk on a group and contrasts sharply with the higher dimensional case in that if two paths may collapse they do so almost surely.     

GI／G／1排队系统的队长和等待时间的瞬时分布

本是[1，2]的继续,在本中利用马氏骨架过程给出了GI／G／1排队系统的队长的瞬时分布的另一新的计算方法和等待时间的计算方法。     

On the characterization of continuum structure functions

A continuum structure function is a non-decreasing mapping from the unit hypercube to the unit interval. Within the class of continuum structure functions, new axiomatic characterizations of the Natvig and the Barlow-Wu subclass are obtained.     

DISTRIBUTIONS OF LIMIT CYCLES FOR POLYNOMIAL VECTOR FIELDS (P_2, Q_3)

The distributions of limit cycles of cubic vector fields (P2, Q3) are considered in this paper, where P2 and Q3 are polynomials of x and y of order two and three, respectively. It is possibly seven different distributions of limit cycles given in [1]. We now prove that in which three kinds of distributions are impossible and other four kinds all can be realized by concrete vector fields of (P2,Q3). Some related results are also given.     

Microprobe photoluminescence measurement on heteroepitaxial GaAs on Si grown by metalorganic chemical vapor deposition

Microprobe photoluminescence (PL) measurements at 77 K were used to study the effect of the GaAs layer thickness on optical quality and variations in strain in GaAs/Si containing microcracks. PL peak intensities increase with the increase in thickness of GaAs layers and the peak intensity for the 5.5 m GaAs layer was a factor of 20 higher than those for the 1–2 m GaAs layers. Spatial nonuniformities in strain in the vicinity of two microcracks reveal that stress was almost released at the intersection of two microcracks and is maximum half way between two microcracks.On leave from Semiconductor Materials Lab., Korea Institute of Science and Technology (KIST)     

8,2'-O-环化-9β-D-腺嘌呤阿拉伯糖苷的NMR及结构研究

8,2'-O-环化-9β-D-腺呤阿拉伯糖苷是阿糖腺苷合成过程中的一个关键性中间体,该化合物的NMR数据只有¹H-NMR谱的糖环1'位质子化学位移和偶合常数的报道,¹³C-NMR谱未曾报道。本文用2D-NMR、NOE-DIF等技术,对它的¹H、¹³C-NMR谱进行归属,进一步明确了它的结构。