GaN氢化物气相外延生长系统的设计与制作

根据GaN氢化物气相外延生长(HVPE)的原理,设计制作了双温区卧式HVPE系统．根据实际生长中出现的问题和CaN样品的测试情况,对系统进行了逐步的调试和改进．     

FOURIER TRANSFORM FAR INFRARED SPECTRA AND NORMAL COORDINATE ANALYSIS OF FIFTEEN RARE-EARTH OXALATE HYDRATES

The Fourier transform far infrared spectra of oxalate hydrates of whole rare-earth series except Pm and Sc are investigated in the range of 100-400 cm~(-1). The assignment of vibrational frequencies is made on the basis of normal coordinate analysis using our NORVIB program. The model used for the hghter elements of the lanthanide series (La to Eu) is based on the crystal structure of Nd_2(C_2O_4)_3. 10H_2O, in which each lanthanide ion is surrounded by nine O atoms, six from three oxalate ions and three from Water molecules.The model adopted for the heavier elements of the lanthanide series (Gd to Lu) and Ytterbium is based on the crystal structure of Yb_2(C_2O_4)_3· 6H_2O, in which each ion is surrounded by eight atoms, six from three oxalate ions and two from water molecules. The variation of the metal-ligand frequencies and force constants with the atomic numbers of lanthanides is plotted and discussed.     

二胺扩链剂对RIM聚氨酯－脲弹性体的结构与性能的影响

采用实验室小型ＲＩＭ机制备了一组不同芳香二胺扩链的嵌段聚氨酯－脲（ＰＵＵ）弹性体，借助于ＩＲ、ＤＳＣ、ＤＭＴＡ、ＳＥＭ以及拉伸试验等测试手段对其结构与性能进行了研究．通过比较由ＭＤＡ、ＤＥＴＤＡ以及ＣＡＭＤＡ三种不同活性和结构的芳香二胺扩链剂与二异氰酸酯反应形成的硬链段对ＲＩＭＰＵＵ弹性体的结构与性能的影响，表明：ＭＤＡ基ＲＩＭＰＵＵ中软、硬链段微区界面作用指数很小，微相分离程度却很大，其性能最差；ＤＥＴＤＡ基ＲＩＭＰＵＵ弹性体有理想的界面作用指数，以及适当的微相分离程度，其性能位于三者之中最佳．ＤＭＴＡ研究证实在一定的温度范围内ＤＥＴＤＡ基ＲＩＭＰＵＵ的模量稳定性最好．     

高效液相色谱-线性离子阱/静电场轨道阱高分辨质谱筛查和确证纺织品中的致癌染料

建立了高效液相色谱-线性离子阱/静电场轨道阱高分辨质谱(HPLC-LTQ/Orbitrap MS)筛查和确证生态纺织品中致癌染料的方法。样品在水浴(95 ℃)中用吡啶/水(1/1, v/v)振荡(150 r/min)提取,上清液过聚四氟乙烯(PTFE)滤膜后,CAPCELL PAK C₁₈色谱柱(100 mm×2.0 mm, 5 μm)分离,以乙腈和5 mmol/L乙酸铵水溶液(含0.01%甲酸)、乙腈和5 mmol/L乙酸铵水溶液分别作为正、负电喷雾离子化(ESI)模式的色谱流动相梯度洗脱。在m/z 200~800范围内进行一级质谱全扫描。以准分子离子峰的精确质量数和提取的色谱图峰面积进行筛查分析和定量,以保留时间和数据依赖扫描(data-dependent scan)模式获得的子离子质谱图进行定性确证。9种染料的质量准确度小于5×10^-6(5 ppm),线性良好,相关系数大于0.99,方法检出限为0.125~25 mg/kg。3个添加水平的回收率范围为62.13%~116.28%,相对标准偏差小于15%。应用该方法检测了棉、涤纶及混纺纤维等20余件纺织品样品中的致癌染料残留。该方法准确、可靠。     

Path-following interior point algorithms for the Cartesian <Emphasis Type="Italic">P</Emphasis><Subscript>*</Subscript>(κ)-LCP over symmetric cones

In this paper, we establish a theoretical framework of path-following interior point algorithms for the linear complementarity problems over symmetric cones (SCLCP) with the Cartesian P _*(κ)-property, a weaker condition than the monotonicity. Based on the Nesterov-Todd, xy and yx directions employed as commutative search directions for semidefinite programming, we extend the variants of the short-, semilong-, and long-step path-following algorithms for symmetric conic linear programming proposed by Schmieta and Alizadeh to the Cartesian P _*(κ)-SCLCP, and particularly show the global convergence and the iteration complexities of the proposed algorithms. This work was supported by National Natural Science Foundation of China (Grant Nos. 10671010, 70841008)     

AI-2 Key Enzyme S-Ribosylhomocysteinase from Strain Klebsiella pneumoniae CICC 10011 Producing 2,3-Butanediol

S-Ribosylhomocysteinase(LuxS) is the key enzyme in the synthetic pathway of a quorum sensing autoinducer AI-2. LuxS from a 2,3-butanediol produced strain Klebisella pneumoniae CICC 10011 was cloned and characterized. The luxS gene is composed of 540 bp with 172 amino acids encoded. The Km value for S-ribosylhomo- cysteine(SRH) was (27±1) umol/L, kcat was (0.112±0.004) s-1 and kcat/Km was 4.4×103 L umol-1·s-1 at 25 ℃. LuxS was activated by divalent metal ions, the highest activity was detected with Co2+ form...     

光束通过碘酸钾单晶产生的衍射花样及其与相变的依存关系

实验观察到了激光束通过KIO₃单晶时产生的偏振态改变90°的衍射带和衍射斑。研究了从室温到240℃温度范围内衍射光强随晶体温度的变化,当T=72℃时衍射光强突然急剧增加,T=212℃时衍射光强几乎减小到零,T>212℃时观察不到衍射光,72℃和212℃分别与有关文献报道的KIO₃的两个相变温度相同。 关键词：     

微生物批式流加发酵脉冲系统的参数辨识及稳定性

针对微生物批式流加发酵生产1,3-丙二醇的非线性脉冲系统,建立敏感参数的优化辨识模型(PDP),论述了模型解的性质、解与参量的关系以及辨识问题最优解的存在性.通过构造算法求得辨识问题最优解,并讨论了新参数下脉冲系统解的稳定性.     

Apicidin选择性抑制ClassⅠ HDACs分子动力学研究

采用模拟方法研究组蛋白脱乙酰酶抑制剂(Apicidin)选择性抑制组蛋白去乙酰化酶(Histone deacetylases, HDACs)中的HDAC1和HDAC8. 通过HDAC8晶体结构同源模建HDAC1三维结构模型, 将Apicidin分别与HDAC1和HDAC8对接并进行分子动力学模拟, 结果表明, HDAC1活性口袋入口处的Arg270是Apicidin-HDAC1形成稳定结构的重要因素; HDAC1中Tyr303及His178与Apicidin形成2个持续存在的氢键, 而在HDAC8中未发现, 这是Apicidin选择性抑制HDAC1高于HDAC8的另一重要原因.     

高维约束矩阵回归问题

高维约束矩阵回归是指高维情况下带非凸约束的多响应多预测统计回归问题,其数学模型是一个NP-难的矩阵优化,它在机器学习与人工智能、医学影像疾病诊疗、基因表达分析、脑神经网络、风险管理等领域有广泛应用.从高维约束矩阵回归的优化理论和算法两方面总结和评述这些新成果,同时,列出了相应的重要文献.