NH-S hydrogen bonding in zinc enzyme model complex with S2N2 binding set studied by normal coordinate analysis of vibrational spectra

In order to provide theoretical evidence for the existence and effect of NH-S hydrogen bonding in the zinc enzyme model complex [Zn(S-2-C6H4NHCOC6H5)2(1-MeIm)2] (1-MeIm = 1-methylimidazole) in addition to the spectroscopic and crystallographic investigations, normal coordinate analysis (NCA) was carried out using a modified Urey-Bradley force field. The vibrational frequencies of the complex with and without the NH-S hydrogen bonding as well as the corresponding internal coordinates were obtained. The good agreement found between the calculated and observed frequencies in the presence of the NH-S hydrogen bond, supports the reliability of the analysis. The stretching force constant of the NH-S hydrogen bond obtained from the calculation is 0.18 mdyne per A. The calculation shows that the N-H bond is weakened by formation of the NH-S hydrogen bond. The results are indicative of the existence of the NH-S hydrogen bond in the complex.     

单丁基磷酸酯的合成与表征

本文报道用三氯氧磷酯化、水解方法制备单丁基磷酸酯，用红外、核磁共振，质谱等方法对其结构进行了分析与表征。     

Vector-based plane-wave spectrum method for the propagation of cylindrical electromagnetic fields

We present a vector-based plane-wave spectrum (VPWS) method for efficient propagation of cylindrical electromagnetic fields. In comparison with electromagnetic propagation integrals, the VPWS method significantly reduces time of propagation. Numerical results that illustrate the utility of this method are presented.     

基于面向对象技术的多媒体CAI素材库系统

建立实用、高效的多媒体ＣＡＩ素材库是高效率、高质量开发ＣＡＩ软件的基础和关键．本文从数据模型、面向对象分析和存储模式三方面入手,提出一种支撑ＣＡＩ制作工具的素材库体系结构,并讨论该体系结构的特性和进一步研究的问题．     

Extensions of perfect GO-spaces and -discrete dense sets

In this paper, we prove that if a perfect GO-space has a -discrete dense set, then has a perfect linearly ordered extension. This answers a problem raised by H. R. Bennett, D. J. Lutzer and S. Purisch. And the result is also a partial answer to an old problem posed by H. R. Bennett and D. J. Lutzer.

     

变质量质点的动能定理与软绳问题

给出变量质点的动能定理和一对反推内力作功的表达式,并由此给出软绳问题的正确解。     

用雷诺应力模型计算旋风分离器中气-固两相流动

针对分离器内部的复杂的三维强旋转、气-固两相湍流运动,采用雷诺应力模型(SSG),利用贴体网格技术,模拟计算了分离器内部流动,并将计算结果与实验数据进行分析、比较。分离器内的固体颗粒运动采用涉及湍流扩散影响的随机轨道模型和确定轨道模型,在流场计算的基础上,模拟了不同直径的颗粒在分离器内的运动规律及颗粒分离效率,并同理论和实验得到的数据进行了比较。     

High‐quality poly[2‐methoxy‐5‐(2′‐ethylhexyloxy)‐p‐phenylenevinylene] synthesized by a solid–liquid two‐phase reaction: Characterizations and electroluminescence properties

Poly[2‐methoxy‐5‐(2′‐ethylhexyloxy)‐p‐phenylenevinylene] (MEH‐PPV) with a molar mass of 26–47 × 10⁴ g mol^?1 and a polydispersity of 2.5–3.2 was synthesized by a liquid–solid two‐phase reaction. The liquid phase was tetrahydrofuran (THF) containing 1,4‐bis(chloromethyl)‐2‐methoxy‐5‐(2′‐ethylhexyloxy)benzene as the monomer and a certain amount of tetrabutylammonium bromide as a phase‐transfer catalyst. The solid phase consisted of potassium hydroxide particles with diameters smaller than 0.5 mm. The reaction was carried out at a low temperature of 0 °C and under nitrogen protection. No gelation was observed during the polymerization process, and the polymer was soluble in the usual organic solvents, such as chloroform, toluene, THF, and xylene. A polymer light‐emitting diode was fabricated with MEH‐PPV as an active luminescent layer. The device had an indium tin oxide/poly(3,4‐ethylenedioxylthiophene) (PEDOT)/MEH‐PPV/Ba/Al configuration. It showed a turn‐on voltage of 3.3 V, a luminescence intensity at 6.1 V of 550 cd/m², a luminescence efficiency of 0.43 cd/A, and a quantum efficiency of 0.57%. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 3049–3054, 2004     

耗散量子隧道系统的变分法研究

本文用变分法研究了耗散量子系统中的声于基态及其对局域一退局域相变条件的影响.发现: 1. 声子基态不仅存在通常的位移效应, 而且还有形变效应. 本文提出的位移一压缩态可同时描述这两种效应; 2. 声子基态的选择对相变条件有很大影响.随着声子基态能量下降,相变曲线将向强祸合方向移动. 关键词：