现代优化计算方法在蛋白质结构预测中的应用

现代优化计算方法在蛋白质结构预测中占有重要地位.简要地介绍了模拟退火算法,遗传算法,人工神经网络和图论算法在蛋白质结构预测中的应用.对国内外近年来应用这些算法,特别是在蛋白质构象搜索问题中,解决蛋白质结构预测的研究作了回顾,并分析、比较了这几种算法的效果和特点.     

Liquid phase oxidation of p-chlorotoluene to p-chlorobenzaldehyde over cobalt-doped mesoporous titania with a crystalline framework

Cobalt-doped mesoporous titania with a crystalline framework synthesized by surfactant templating method presented highly selective (99%) and reasonable conversion rate (49%) of catalytic oxidation of para-chlorotoluene to para-chlorobenzaldehyde in acetic acid using aqueous hydrogen peroxide as oxidant for the first time. Recycling of the catalyst indicates that the catalyst can be used a number of times without losing its activity to a greater extent. By contrast, cobalt-doped mesoporous titania without a crystalline structure and cobalt doped the commercial titania, Degussa P25 prepared by impregnation method with the similar concentration of cobalt were found inactive. The effects of catalyst concentration, reaction time, reaction temperature, and solvents on the performance of the catalyst were also investigated.     

In situ hybridization to chitosan/magnetite nanocomposite induced by the magnetic field

Chitosan/magnetite nanocomposite was synthesized induced by magnetic field via in situ hybridization in ambient condition. Results of XRD patterns and TEM micrographs indicated that magnetite particles with 10–20 nm were dispersed in chitosan homogeneously. An interesting result is that magnetite nanoparticles were assembled to form chain-like structures under the influence of the external magnetic field, which mimics the magnetite chains inside of magnetotatic bacteria. The saturated magnetization (Ms) of nano-magnetite in chitosan was 50.54 emu/g, which is as high as 54% of bulk magnetite. The remanence (Mr) and coercivity (Hc) were 4 emu/g and14.8 Oe, respectively, which indicated that magnetite nanoparticles were superparamagnetic. The key of route is that a pre-precipitated chitosan hydrogel membrane, used as chemical reactor, which controlled the precipitation of chitosan precipitation and in situ transformation of magnetite from the precursor simultaneously in the magnetic field environment.     

Measurements of AIM for Visible Wavelength Based on Individual Eye Model

We measure and calculate the aerial image modulation （AIM） of human retina for visible wavelengths based on the individual eye model. By employing the optical design software ZEMAX, we obtain the modulation transfer function （MTF） of human eye in visible wavelengths. Using CSV-1000 and VAF-1000, the contrast sensitivity function （CSF） and the visual acuity （VA） for the same eye are measured. Then the AIM of human retina could be acquired by the relations between MTF and CSF and between MTF and VA. The AIM of human retina is independent of MTF, and the values of AIM for normal eyes （without retina disease） are similar, so the assembly average for large numbers of normal eyes can be a standard AIM curve, which is helpful for the diagnosis of diseases in the retina system.     

Representation surfaces of Young''s modulus and Poisson''s ratio for BCC transition metals

 The general expressions for the compliance , Young's modulus E(h k l) and Poisson's ratio υ(h k l) along an arbitrary direction [h k l] are given for cubic crystals. The representation surfaces, for which the length of the radius vector in the [h k l] direction equals to E(h k l) or υ(h k l), are constructed for seven BCC transition metals Cr, Fe, Mo, Nb, Ta, V and W. Neglecting W, which is isotropic, both representation surfaces of Young's modulus and Poisson's ratio are spherical surfaces. The remaining BCC transition metals may be grouped into two classes. In the first group (Cr, Mo, Nb and V) with negative values of s_A, Young's modulus surface has eight depressed corners and six rounded protuberances at the centers of the faces. In the second group (Fe and Ta) with positive values of s_A, on the contrary, Young's modulus surface has eight rounded protuberance corners and six depressions at the centers of the faces. The contrary conclusions are obtained for Poisson's ratio.     

基于移动Agent技术的医学图像检索方法

针对现有医学图像检索方法中，检索算法速度较慢、准确性较低以及远程检索时占用大量带宽等问题，设计并实现了一种基于移动Agent技术的医学图像检索方法，重点讨论了该方法实现的关键技术，包括提升框架下的M带整数小波变换和提取多通道纹理特征的检索算法．模拟实验结果表明，该方法实时性较强，占用网络带宽较少，采用的算法运算速度提高近10倍、运算复杂度降低约50％，提取的纹理特征能充分表达图像内容，较好地满足了医学图像的检索要求，实现了对医学图像库快速较准确的检索．     

Banach空间二阶周期边值问题解的存在性

利用一些比较结果，讨论了Banach空间中二阶周期边值问题解的存在性，获得了若干解的存在性与唯一性结果。     

Fe/Si多层膜的层间耦合与界面扩散

对以本征Si及重掺杂ｐ型和ｎ型Si作为中间层的Fe/Si多层膜的层间耦合进行研究，并通过退火，增大Fe，Si之间的扩散，分析界面扩散对层间耦合的影响. 实验结果表明，层状结构良好的制备态的多层膜，Fe，Si之间也存在一定程度的扩散，它是影响层间耦合的 主要因素，远远超过了半导体意义上的重掺杂，使不同种类的Si作为中间层的层间耦合基本 一致.进一步还发现，在一定范围内增大Fe，Si之间的扩散，即使多层膜的层状结构已经有了相当的退化，Fe/Si多层膜的反铁磁耦合强度基本保持不变. 关键词： Fe/Si多层膜 层间耦合 界面扩散     

海洋激光雷达测量海中悬移质

研制了一套采用倍频YAG激光器的小型海洋激光雷达，用于测量海中悬移质浓度，2000年8月28日至9月5日，该系统安装于“东方红Ⅱ”号右舷下甲板，在渤海海区进行海中悬移质浓度现场测量，通过对18个站位的海洋激光雷达数据分析，获得的表层悬移质浓度与同步测量的海中悬移质浓度结果吻合较好。