新型甾体N,N-二甲基缩氨硫腙类化合物的合成及其抗肿瘤活性

以乙醇（或甲醇为溶剂）,冰醋酸为催化剂,去氢表雄酮、孕烯醇酮、雌酮和3,5-二羟基-6-甲酰基-B-降胆甾烷分别与N,N-二甲基硫代氨基脲经缩合反应,合成了4个新型的具有不同甾核结构特征的甾体N,N-二甲基缩氨硫腙类化合物（1～4）,其结构经¹H NMR, ¹³C NMR, IR和HR-EI-MS表征。采用MTT法测定了1~4对肝癌细胞(HepG)、人鼻咽癌细胞(CNE-2)和人肾上皮细胞（HEK-293T）的体外抑制细胞生长增殖活性。结果表明：1~3对HepG和CNE-2具有明显的抑制活性。     

Synthesis,Spectroscopic, Thermochemical Properties of Lanthanide Complexes with 3,4-Diethoxybenzoic Acid and 1,10-Phenanthroline

Three novel lanthanide complexes [Ln(3,4-DEOBA)₃phen]₂[Ln=Eu(1), Tb(2), Dy(3); 3,4-DEOBA=3,4- diethoxybenzoate; phen=1,10-phenanthroline] were synthesized and characterized by elemental analysis, molar conductance, X-ray diffraction and infrared spectrometry. The luminescence spectra of complexes 1 and 2 show the characteristic emission of Eu³⁺ ion(⁵D₀→⁷F_0-3) and Tb³⁺ ion(⁵D₄→⁷F_6-3). The thermal decomposition mechanism of the title complexes and the analysis of the evolved gases were investigated by thermogravimetry/differential scanning calorimetry-Fourier transform infrared(TG/DSC-FTIR) technology. The results indicate the complexes are thermally stable. In the thermal decomposition of the complexes, phen molecules lost firstly, and then 3,4-DEOBA ligand decomposed into H₂O, CO₂ and other gaseous molecules. Besides, several gaseous organic fragments were also detected. The heat capacities of complexes 1―3 were measured by DSC in a temperature range of 263.15―340.15 K. Based on the fitted polynomial and thermodynamic equations, the smoothed heat capacities and thermodynamic functions of the three complexes were calculated. The study on biological activity showed that the complexes exhibited good antibacterial activity against Candida albicans, Staphylococcus aureus and Escherichia coli.     

溶胶-凝胶法制备LaNiO3薄膜及其电学性能研究

采用溶胶-凝胶法在SiO2/Si衬底上制备了LaNiO3薄膜,并通过改变退火温度和薄膜厚度对其微结构和电学性能进行了表征测试.X射线衍射(XRD)和电阻率测试结果表明,随着退火温度和厚度的增加,LaNiO3薄膜的结晶质量明显提高,薄膜电阻率也逐渐下降.当退火温度为800℃时,厚度为630 nm的LaNiO3薄膜电阻率最小,达到了1.37 mQ·cm.此外,利用LaNiO3薄膜作为下电极制备的2; Nb-Pb(Zr06Ti0.4)O3薄膜呈良好的钙钛矿相结构,且经过1010铁电循环测试周期以后,2; Nb-Pb(Zr06Ti0.4)O3薄膜的铁电性能未出现明显下降,表明该LaNiO3薄膜是生长PNZT铁电薄膜的优良下电极材料.     

复合板旋转约束刚度推导及箱型结构屈曲分析

基于结构稳定性理论,推导出正交各向异性纤维树脂增强复合材料箱型结构各板连接处旋转约束刚度的近似表达式．与以往的经验公式相比,考虑了材料的正交各向异性和截面尺寸的影响．通过对箱型结构的正交各向异性比、截面属性以及纵横比对旋转约束刚度的影响进行参数研究,验证了旋转约束刚度新公式的精确性和适用范围．通过比较采用不同近似表达式得到的结果与有限元计算结果的对比,表明本文的旋转约束刚度新公式可以更精确地用来计算箱型结构的临界屈曲载荷．     

Adsorption configuration of magnesium on wurtzite gallium nitride surface using first-principles calculations

First-principles calculations of magnesium adsorption at the Ga-terminated and N-terminated {0 0 0 1} basal plane wurtzite gallium nitride surfaces have been carried out to explain the atomic-scale insight into the initial adsorption processes of magnesium doping in gallium nitride. The results reveal that magnesium adsorption on N-terminated surfaces is preferred than that on Ga-terminated surfaces. Furthermore, the surface diffusivity of magnesium atom on the N-terminated surface is much lower than that on the Ga-terminated surface, which is due to both the larger average adsorption energies and the lower adsorption distance on N-terminated surface than that on Ga-terminated surface. The results indicate that the p-type doping on the Ga-terminated surface will be better distributed than that on the N-terminated surface.     

超短脉冲激光对硅膜的热力效应分析

为了研究超短脉冲激光辐照下半导体材料的热力效应,在热电子崩力和自洽场两种模型的基础上,得到了完全耦合的非线性热弹方程组。在单轴应力条件下,采用有限差分法,讨论了不同脉宽的超短脉冲激光辐照下,硅膜内载流子温度、晶格温度、热应力以及热电子崩力随时间及膜深度的变化情况。结果表明,脉冲宽度对硅膜的热力损伤过程起重要作用。能量密度一定时,载流子和晶格达到热平衡所需时间随脉冲宽度的增加而增加;热电子崩力呈现明显的双峰结构,同时脉冲宽度对第二个峰值的影响较大;脉宽越窄,热应力的峰值越大,越容易对材料造成损伤,为激光加工和光电器件的损伤提供了理论参考。     

Shell-model studies of the N=14 and 16 shell closures in neutron-rich nuclei

Shell-model studies on the N =14 and 16 shell closures in neutron-rich Be, C, O and Ne isotopes are presented. We calculate, with the WBT interaction, the excited states in these nuclei. The calculations agree with recent experiment data. Excited energies and B(E2) values are displayed to discuss the shell closures. Our results support the N =16 shell closure in these isotopes, while indicating a disappearance of N =14 shell closure in Be and C isotopes.     

πg9/2(⊕)vh11/2 doublet bands in A～100 mass region

Using the model with one particle and one hole coupled with a triaxial rotor, the πg(-1)(9/2)(⊕)vh11/2 doublet bands in the A ～ 100 mass region are studied, and compared with the πh11/2(⊕)vh(-1)(11/2) doublet bands.It is found that the calculated results for the configuration of πg(-1)(9/2)(⊕)vh11/2 are very similar the results for a pure h11/2 proton particle and a neutron quasiparticle with λn =ε5. After including the pair correlation, the model describes the candidate chiral doublet bands in 106Rh successfully, which supports the interpretation of chirality geometry.     

Study of the vi13/2-1 band in 189Pt

High-spin levels of 189Pt have been studied with the in-beam γ-spectroscopy method via the 176Yb(18O,5n) reaction at the beam energies of 88 and 95 MeV. The previously known vi13/2-1 band has been confirmed, and its unfavored signature branch extended up to the 31/2+ state. Within the framework of the triaxial particle-rotor model, the vi13/2-1 band is suggested to be associated with the 11/2[615] configuration, and to have triaxial deformation.     

基于K最优路径的QoS路由预计算新算法

针对下一代高速网络中的多约束服务质量路由问题,首先提出了一种精确链路状态信息条件下的路由预计算算法MKPPA.在此基础上根据网络状态信息的动态性,通过引入"警戒点"对MKPPA进行了改进,提出了一种基于警戒点的修正预计算算法M_-MKPPA,该算法能够适应网络链路信息的不精确性.最后通过理论分析表明MKPPA不仅能够解决加性度量参数受约束的QoS路由问题,而且能够解决加性与非加性度量参数混合受约束QoS路由问题,修正预计算算法M -MKPPA能够适应网络链路状态信息的动态特性.计算机仿真结果显示出MKPPA在求解QoS路由问题时,当计算次数不超过已有算法的计算次数时,不论是精确链路状态信息还是非精确链路状态信息条件下,均具有更高的路由计算成功率.