基于VolSurf参数的化合物水溶性QSPR分析

利用分子的VolSurf参数预测化合物的水溶解度并阐明有利于水溶解度的主要分子结构特征.被测化合物包括185个共两大系列分子,使用偏最小二乘判别分析和多元线性回归方法在实验数据和分子特征之间建立相关性,均得到较好的结果.以70个化合物所建立的训练集模型对其余115个化合物有较好的预测能力.参数分析表明分子内较大的亲水区域对水溶解度有利;分子质心与疏水区、亲水区之间的不平衡性越高,水溶解度越大;分子量及体积大的分子对其水溶解度不利.     

Asymmetric Regulation System Fit for Chinese Telecom Market

After the new round of restructuring of Chinese telecom sector,it's pressing to formulate and implement asymmetric regulation policies so as to shape an effectively competitive market structure in a relatively short term.This paper reviewed the asymmetric regulation policies and practices carried out in foreign telecom market,and then according to the specific situations of Chinese telecom market,proposed the principles and corresponding policies for establishing an asymmetric regulation system fit for Chin...     

铁铝催化体系催化丙烯酸丁酯聚合

研究了Fe(acac)3-Al(i-Bu)3-8-羟基喹啉(acac=乙酰丙酮)催化体系催化丙烯酸丁酯(BA)聚合，考察了聚合规律，用凝胶渗透色谱研究了聚合物分子量和分子量分布．动力学研究表明聚合反应对单体浓度呈一级关系，表观活化能为13．9kJ／mol．     

浅谈家用吊扇的调速方法

家用吊扇的核心部分是单相异步电动机,此绕组如图1,有一主绕组(工作绕组)与一串联电容器C的副绕组(启动绕组)相并联.这样做可使二绕组的电流在相位上相差90°,从而形成旋转磁场.转子的转动过程与三相异步电动机相似.     

Synthesis and Crystal Structure of a Novel Organic Adduct Nonlinear Optical Material: 3,5-Dinitrobenzonic Acid·ethanolamine (3,5-DNBEA)

The title compound (C2H7NO·C7H4N2O6) has been obtained by the reaction of etha- nolamine with 3,5-dinitrobenzoic acid in deionized water at room temperature. The crystal crystal- lizes in orthorhombic, space group P212121 with a = 6.048(2), b = 9.146(3), c = 21.955(7)(A), C9H11N3O7, Mr = 273.21, Z = 4, V = 1214.3(7)(A)3, Dc = 1.494 g/cm3, F(000) = 568, μ(MoKα) = 0.131 mm-1, R1 = 0.0338 and wR2 = 0.0497. The new organic adduct is composed of one ethanolamine and one 3,5-dinitrobenzoic acid, which are linked up by O-H…O and N-H…O types of hydrogen bonds to form a nine-membered ring and an eleven-membered ring, extending into a one-dimensional network structure.     

Investigation on Single-Mode–Multimode– Single-Mode Fiber Structure

This paper presents an investigation on a single-mode-multimode-single-mode fiber structure. A one-way guided-mode propagation analysis for the circular symmetry waveguide is employed to model the light propagation and the approximated formulations are derived and evaluated concerning the accuracy. Phase conjunction of the multimode interference within the fiber structure is revealed. A simple way to predict and analyze the spectral response of the structure is presented through the space to wavelength mapping with the derived approximated formulations. The prediction of spectral response is verified numerically and experimentally.     

能谱法和催化光度法测定无机纤维中铁含量的比较研究

本文研究了铁(Ⅲ)在酸性介质中催化抗坏血酸(Vc或H2A)还原4-硝基-3’-甲基-氨基偶氮苯的褪色反应,拟定了反应的最佳条件,探讨了反应机理,建立了催化动力学测定痕量铁的新方法,该方法的检出限为2.98×10~(-11)g·mL-1,线性范围为0-200 ng·(25 mL)-1。比较了X射线能量色散谱法和催化光度法在玄武岩纤维样品中铁含量的测定,结果误差为2.89％。     

双氯芬酸钠与牛血清白蛋白结合反应的特征

在模拟人体生理条件下,采用荧光光谱和紫外 可见吸收光谱法研究了双氯芬酸钠与牛血清白蛋白的结合反应.实验结果显示,双氯芬酸钠对牛血清白蛋白有较强的荧光猝灭作用,该猝灭过程主要为静态荧光猝灭过程;二者结合常数KLB=2.167×105mol·L-1;二者的结合位置距212位色氨酸2.13nm;同时,由结合反应的热力学参数得出二者作用力主要是氢键或VanderWall's力.     

带惩罚项与随机输入的BP神经网络在线梯度学习算法的收敛性

本文对三层BP神经网络中带有惩罚项的在线梯度学习算法的收敛性问题进行了研究,在网络训练每一轮开始执行之前,对训练样本随机进行重排,以使网络学习更容易跳出局部极小,文中给出了误差函数的单调性定理以及该算法的弱收敛和强收敛性定理。     

一种微穿孔板消声器

本文根据马大猷教授提出的“微穿孔板吸声体精确理论”，在对微穿孔板消声器结构参数与吸声特性之间的相互影响进行了分析的基础上，设计了微穿孔板消声器并将其应用在新舟60飞机APU(辅助动力装置)降噪的实际工程中，并通过编写的噪音数据采集分析程序，对降噪效果进行了测试和分析，验证出微穿孔板消声器对消除飞机的APU的排气噪声具有良好的消声效果，平均降噪7．16dB。