Two New Diterpene Acetylxylosides from Aster veitchianus

Two new acetylxylosides,ent-manool-13-O-β-D-2′-acetylxylopyranoside(1)and entmanool-13-O-β-D-2′,4′-diacetylxylopyranoside(2)were isolated from Aster veitchianus.Their structures were elucidated by spectroscopic methods.     

Low-Temperature Growth of Polycrystalline silicon Films by SiCl4／H2 rf Plasma Enhanced Chemical Vapour Deposition

Polycrystalline silicon film was directly fabricated at 200℃ by the conventional plasma enhanced chemical vapour deposition method from SiCl4 with H2 dilution. The crystallization depends strongly on the deposition power.The maximum crystMlinity and the crystalline grain size are over 80% and 200—50Onm, respectively. The results of energy dispersive spectroscopy and infrared spectroscopy measurements demonstrate that the film is mostly composed of silicon, without impurities such as Cl, N, C and bonded H. It is suggested that the crystallization at such a low temperature originates from the effects of chlorine, i.e., in-situ chemical, etching, in-situ chemical cleaning, and the detachment of bonded H.     

2,2’—二硫代双(4,6—二叔丁基苯酚)的晶体和分子结构

一种塑解剂经高压液体色谱分离制备出主要成份2,2′—二硫代双(4,6二叔丁基苯酚)。由质谱分析得到分子量为474化学式为C_(28)H_(2)O_2S_2、晶体呈现孪生。基体单晶属三斜晶系,空间群为(?)PI(NO.2),晶体结构用直接法解出,=0.07。研究结果表明该分子是二硫代酚类化合物。在EI场中,S—S键断裂是主要断裂过程。晶体中,分子的一个环上的羟基是无序分布的。羟基与最邻近的硫原子形成氢键。     

STABLE SOLUTION OF TIME DOMAIN INTEGRAL EQUATION METHODS USING QUADRATIC B-SPLINE TEMPORAL BASIS FUNCTIONS

This paper is concerned with stable solutions of time domain integral equation （TDIE） methods for transient scattering problems with 3D conducting objects. We use the quadratic B-spline function as temporal basis functions, which permits both the induced currents and induced charges to be properly approximated in terms of completeness. Because the B-spline function has the least support width among all polynomial basis functions of the same order, the resulting system matrices seem to be the sparsest. The TDIE formula-tions using induced electric polarizations as unknown function are adopted and justified. Numerical results demonstrate that the proposed approach is accurate and efficient, and no late-time instability is observed.     

尿样中核基质蛋白22的免疫电化学生物传感器研制

将(4,4',4',4')四羧基酞菁钴(CoTcPc)和HRP标记核基质蛋白22抗体(HRP-Ab-NMP22)一起固定在Au电极表面,构建了一种快速测定膀胱肿瘤患者尿液中NMP22抗原含量的安培免疫传感器(HRP-Ab-NMP22/Fe3O4/CoPc CME).实验表明:该传感器对NMP22抗原具有良好的电化学响应,HRP对H2O2电催化氧化电流I0降低,△I0与NMP22浓度在1.0～150ng·mL-1成线性关系,检测限则为0.5ng·mL-1.该传感器基于一次性竞争性免疫反应,较Elisa法提高了检测速度,有望用于膀胱肿瘤的迅速诊断.     

几种基于散乱数据拟合的局部插值方法

本文首先针对散乱数据拟合的Shepard方法,结合截断多项式、B样条基函数和指数函数来构造其权函数,使新的权函数具有更高的光滑度和更好的衰减性,并且其光滑性和衰减性可以根据实际需要自由调节,从而提高了曲面的拟合质量．同时还给出一种类似的局部插值方法．另外,本文还基于多重二次插值,结合多元样条的思想,给出了两个局部插值算法．该算法较好地继承了多重二次插值曲面的性质,从而保证了拟合曲面具有好地光顺性和拟合精度．曲面整体也具有较高的光滑性．     

First-Principles Study on the Electronic Structures for Y^3＋：PbWO4 Crystals

The possible defect models of Y^3＋：PbWO4 crystals are discussed by defect chemistry and the most possible substituting positions of the impurity Y^3＋ ions are studied by using the general utility lattice program （GULP）. The calculated results indicate that in the lightly doped Y^3＋ ：PWO crystal, the main compensating mechanism is [2Ypb^＋ ＋ VPb^2-], and in the heavily doped Y^3＋ ：PWO crystal, it will bring interstitial oxygen ions to compensate the positive electricity caused by YPb^＋, forming defect clusters of [2Ypb^＋ ＋Oi^2-] in the crystal. The electronic structures of Y3＋ ：PWO with different defect models are calculated using the DV-Xα method. It can be concluded from the electronic structures that, for lightly doped cases, the energy gap of the crystal would be broadened and the 420nm absorption band will be restricted; for heavily doped cases, because of the existence of interstitial oxygen ions, it can bring a new absorption band and reduce the radiation hardness of the crystal.     

地质建模中的B样条曲面拟合

Pigel和Tiller提出了简明、灵活的B样条曲面拟合方法.本文在Pigel和Tiller的方法的基础上,提出了适用于地质建模的基于重采样的B样条曲面拟合方法.该方法首先用重心坐标对原始的数据点进行重采样,然后对重采样得到的数据点进行拟合.拟合的误差可以通过修改控制顶点的个数来控制.结果表明:拟合得到的B样条曲面是光顺的.     

小分子硫原子团簇正离子的结构稳定性

用分子图形软件设计出 4 9种硫原子团簇Sn+ (n =3～ 13)的结构 ,使用B3LYP密度泛函进行几何构型优化和振动频率计算 ,根据分子的总能量得出最稳定的同分异构体 .在硫原子团簇正离子中 ,大部分原子为二配位成键 .带有一、三配位的原子结构的总能量较高 .部分最稳定硫原子团簇正离子的构型与最稳定的中性硫原子团簇的构型完全不同 .     

带非均匀项的Sine—Gordon方程

文中得出了x-SG方程(1)的B(?)cklund变换和反散射形式。通过方程(1)的反散射解研究,我们得到了当特征问题(2.4)的位势u(x,t)(q(x,t)=-1/2 u_x(x,t))满足方程(1)时的散射量随时间的演化规律,并分别利用B(?)cklund变换和反散射方法,我们求出了方程(1)的孤子解,且它们是一致的。