Statistical theory for hydrogen bonding fluid system of A_aD_d type (I): The geometrical phase transition

The influence of hydrogen bonds on the physical and chemical properties of hydrogen bonding fluid system of AaDd type is investigated from two viewpoints by the principle of statistical mechanics. In detail, we proposed two new ways that can be used to obtain the equilibrium size distribution of the hydrogen bonding clusters, and derived the analytical expression of a relationship between the hydrogen bonding free energy and hydrogen bonding degree. For the nonlinear hydrogen bonding systems, it is shown that the sol-gel phase transition can take place under proper conditions, which is further proven to be a kind of geometrical phase transition rather than a thermodynamic one. Moreover, several problems associated with the geometrical phase transition and liquid-solid phase transition in nonlinear hydrogen bonding systems are discussed.     

光场横向效应导致CO2激光器混沌运转的实验研究

对横向效应导致单纵模多横模CO_2激光器失稳进行了实验研究.观测到了经各种途径到达的激光混沌态,并对其物理机制进行了探讨.     

ICP-AES法测定蒙药紫癜灵中多种微量元素

蒙药含有多种氨基酸和丰富的微量元素,特别是人体必需的微量元素含量相对较高,而对人体有害的重金属元素含量相对较低。采用微波消解ICP-AES法同时测定了治疗过敏性紫癜的蒙药紫癜灵中Ca, Mg, Sr, Fe, Mn, Zn, Cu和Pb等15种微量元素。紫癜灵的临床药效实验,选择了过敏性紫癜患者260例,其中男性140例,女性120例;年龄最小6岁,最大62岁,6～16岁年龄段最多,占病人总数的90%左右。治疗结果显示：治愈234例,占90%;显效13例,占5%;有效11例,占4.23%;无效2例,占0.77%;总有效率达99.23%。紫癜灵中含有丰富的微量元素,尤其锶的含量相当高。方法的加标回收率在94.63%～106.40% 之间,相对标准偏差RSD≤3.17%,检出限≤0.009 μg·L-1。     

Af型自由基均聚反应的固化理论(Ⅲ)──高分子凝胶网络缺陷

应用高分子反应统计理论,分析了高分子网络的形成过程,讨论了A_f型自由基均聚反应凝胶网络中的缺陷悬吊环的数目及其形成几率.     

Optical parametric processes and broadly tunable femtosecond sources

The basic concepts of optical parametric processes and recent results on broadly tunable high-repetition rate femtosecond Optical Parametric Oscillators (fs OPO) are reviewed. Ti:Sapphire-Laser pumped KTP, KTA, and CTA fs OPOs and intracavity-doubled fs KTP OPO in particular are discussed.     

一种基于感兴趣区域提取的医学图像检索技术

针对胸部CT扫描图像库，提出了一种基于感兴趣区域提取的图像检索方法．首先为了提取感兴趣区域，提出一种基于灰度层共现矩阵的区域增长算法，分割出病灶区域，再通过闽值算法进行边界的磨合，然后针对感兴趣区域提取形状和分布特性作为图像匹配准则的客观依据．最后，将该算法与其他底层特征算法进行比较和分析．实验结果表明，该算法能够比较有效地应用于基于内容的医学图像检索系统中．     

Explanation of the unusual temperature dependence of the atmospherically important OH + H(2)S --> H(2)O + HS reaction and prediction of the rate constant at combustion temperatures

Rate constants for the OH + H2S --> H2O + HS reaction, which is important for both atmospheric chemistry and combustion, are calculated by direct dynamics with the M06-2X density functional using the MG3S basis set. Energetics are compared to high-level MCG3/3//MC-QCISD/3 wave function theory and to results obtained by other density functionals. We employ canonical variational transition-state theory with multidimensional tunneling contributions and scaled generalized normal-mode frequencies evaluated in redundant curvilinear coordinates with anharmonicity included in the torsion. The transition state has a quantum mechanically distinguishable, nonsuperimposable mirror image that corresponds to a separate classical reaction path; the effect of the multiple paths is examined through use of a symmetry number and by torsional methods. Calculations with the reference-potential Pitzer-Gwinn treatment of the torsional mode agree with experiment, within experimental scatter, and predict a striking temperature dependence of the activation energy, increasing from -0.1 kcal/mol at 200 K to 0.2, 1.0, 3.4, and 9.8 kcal/mol at 300, 500, 1000, and 2400 K. The unusual temperature dependence arises from a dynamical bottleneck at an energy below reactants, following an addition complex on the reaction path with a classical binding energy of 4.4 kcal/mol. As a way to check the mechanism, kinetic isotope effects of the OH + D2S and OD + D2S reactions have been predicted.     

新型N-取代苯基-9-烷基-3-咔唑磺酰脲类化合物的合成及其抗肿瘤活性

以9-烷基咔唑为原料,经磺化、氯化和氨化反应制得9-烷基咔唑-3-磺酰胺(4a和4o);取代苯胺与三光气反应制得取代苯基异氰酸酯(6a~6n,6s,6Ⅳ);4分别与6经缩合反应合成了30个新型的N-取代苯基-9-烷基-3-咔唑磺酰脲类化合物(7a~7Ⅳ),其结构经1H NMR,IR和ESI-MS表征。对7进行了Cdc25B抑制活性筛选。结果表明,在用药浓度为20μg·m L-1时,其中12个化合物对Cdc25B具有良好的抑制活性,抑制率大于90%。