关于k—消去图的若干新结果

设G是一个图．k是自然数．图G的一个k-正则支撑子图称为G的一个k-因子．若对于G的每条边e．G—e都存在一个k-因子，则称G是一个k-消去图．该文得到了一个图是k-消去图的若干充分条件，推广了文［2—4］中有关结论．     

光功能纳米陶瓷材料研究取得重要成果

~~光功能纳米陶瓷材料研究取得重要成果@汪道友~~     

The Pharmacophore Hypothesis of Novel Inhibitors for Aurora A Kinase

A three-dimensional pharmacophore model was developed from a series of inhibitors of Aurora A kinase to discover new potent anti-cancer agents using the HypoGen module in the Catalyst software. The pharmacophore model was developed based on the structure of 20 currently available inhibitors, which were carefully selected from the literature. The best hypothesis （Hypo 1） was defined by four features： one hydrogen-bond donor and three hy- drophobic points, with the best correlation coefficient of 0.909, the lowest rms deviation of 1.563, and the highest cost difference of 99.075. The Hypo 1 was then validated by a test set consisting of 24 compounds and by a cross-validation of 95% confidence level through randomizing the data using the CatScramble program, which suggested that a predictive pharmacophore model had been successfully obtained.     

乙酰乙酸乙酯的合成实验改进

乙酰乙酸乙酯的合成实验改进汪庆华（四川大学化学系成都６１００６４）关键词乙酰乙酸乙酯，乙酸乙酯，互变异构乙酰乙酸乙酯是稳定的化合物，在有机合成中是极为有用的合成中间体。基于乙酰乙酸乙酯（简称三乙）具有成酸、成酮分解和α－氢又非常活泼的特性，可以由三乙...     

磁化作用对汽油动态挥发性影响的研究

用热重（TG）分析和自行设计的原位动态挥发实验，研究了在不同条件下汽油的挥发性，结果表明，磁化空气或磁化汽油都可提高汽油的挥发性，而汽油和空气共同磁化，可更大幅度地提高汽油的挥发性。     

计算机最优化技术在分析化学中的应用

在分析化学中,研究分析方法、选择分离条件、确定分析仪器最佳操作条件等等,总希望所选择的方案是一切可能的方案中最佳的方案,这就是最优化问题。目前是利用现代计算机技术,按照一定的数学模型(或数据项),得     

SOLUBILITIES OF POLYCYCLIC AROMATIC HYDROCARBONS AND DI-REGION THEORY

By using the relationship equation of Partition coefficients with water solubilities for polycyclic aromatic hydrocarbons (PAHs), we have estimated the solubilities of PAHs. In addition the high-performance liquid chromatograph (HPLC) method has been used for the indirect determination of solubilities of PAHs. t3ased on the di-region theory, We have studied the relationship of the solubilities of PAHs with carcinogenicity and introduced the solubility parameter into the di-region theory equation. The calculated carcinogenicity of PAHs from the obtained equation shows little difference from that calculated from Dai Qianhuan's equation.     

制备纳米氧化锌的新方法

以草酸和醋酸锌为原料，用室温固相化学反应首先制备前驱物二水合草酸锌，后者在微波场辐射分解得到产物纳米氧化锌。用XRD，TEM和IR等技术对产物的组成，大小及形貌进行了表征。结果表明：产物纳米氧化锌为粒度分布均匀的球形六角晶系结构，平均粒径约为8nm。     

NUCLEAR PORE COMPLEX IN SPERMATOGENESIS OF BEIJING DOMESTIC DUCK——ELECTRON MICROSCOPE OBSERVATION OF FREEZE-ETCHING

The nuclear pore complex in spermatogenesis of Beijing domestic duck has been studiedby means of electron microscopic observation of freeze-etching. The structure of the poreobserved proves to be in accord with the model of the nuclear pore complex proposed respec-tively by Franke (1970) and Roberts et al. (1970). But its central granule may be present(1--3 granules) or absent. The granules are considered to be material in transit. The sizeand frequency of the pore vary with different types of reproductive cells, which is believedto be related to the cells' function. The pores concentrate on the side of nucleus near Golgizone in primary spermatocyte and near the proacrosome of spermatid, and this shows thefunctional variety of parts in the nucleus.     

HCN(HNC)与NH3, H2O和HF分子间相互作用的理论研究

在MP2/aug-cc-pVTZ水平上, 对HCN(HNC)与NH3, H2O和HF分子间可能存在的氢键型复合物进行了全自由度能量梯度优化, 通过在相同水平上的频率验证分析发现了稳定的分子间相互作用形式是HCN(HNC)作为质子供体或作为质子受体形成的复合物. 基组重叠误差对总相互作用能的影响均小于3.34 kJ/mol. 通过自然键轨道(NBO)分析, 研究了单体和复合物中的原子电荷和电荷转移对分子间相互作用的影响. 对称性匹配微扰理论(SAPT, Symmetry Adapted Perturbation Theory)能量分解结果表明, 在分子间相互作用中, 静电作用与诱导作用占主导地位, 而诱导作用与复合物的电荷转移之间具有良好的正相关性.