铜离子配位甲烷氧化菌素功能化纳米金模拟过氧化物酶的研究

合成了纳米金-甲烷氧化菌素(Mb)-铜配合物,该配合物可以作为模拟过氧化物酶用于催化过氧化氢氧化对苯二酚的反应.通过紫外光谱、荧光光谱、红外光谱对纳米金-甲烷氧化菌素(Mb)-铜进行了表征.利用紫外-可见分光光度法研究了配合物催化过氧化氢氧化对苯二酚的动力学.考察了体系p H、体系温度及过氧化氢/催化剂摩尔比对催化反应速率的影响.结果表明纳米金-甲烷氧化菌素(Mb)-铜配合物符合生物催化剂条件影响的一般规律,但比生物酶具有更高的热稳定性.     

基于4-氟-N'-(3-乙氧基-2-羟基苯亚甲基)苯甲酰肼的甲基麦芽酚和乙基麦芽酚配位的氧钒(Ⅴ)配合物的合成、晶体结构及其类胰岛素活性

制备了一个芳酰腙化合物4-氟-N''-（3-乙氧基-2-羟基苯亚甲基）苯甲酰肼（H₂L）。利用H₂L和VO（acac）₂分别与甲基麦芽酚（mat）和乙基麦芽酚（Emat）在甲醇中反应,得到了2个配合物[VO（L）（mat）]（1）和[VO（L）（Emat）]（2）。通过元素分析、红外光谱、紫外可见光谱和核磁共振氢谱表征了这些化合物的结构。通过单晶X射线衍射进一步确定了化合物的结构。芳酰腙配体以二价阴离子的方式通过酚羟基氧、亚胺基氮和烯醇氧原子与钒原子进行配位。在每个配合物中,钒都采取八面体配位构型。将配合物通过灌胃对正常的大鼠和四氧嘧啶糖尿病大鼠给药2周时间,结果表明这两个配合物在剂量为10.0和20.0 mgV·kg^-1时可以显著降低四氧嘧啶糖尿病大鼠的血糖值,而对于正常大鼠的血糖值却没有改变。     

[N_2O_2]型镍基配合物在中性水溶液中产氢性能的研究

通过简单易行的曼尼希(Mannich)反应,合成了一种[N_2O_2]型配体,在少量三乙胺存在条件下,成功实现了与高氯酸镍配位,得到了镍金属配合物。通过核磁共振氢谱、高分辨质谱等手段对配体和配合物进行了表征。该化合物在水中具有一定的溶解度,并在中性磷酸缓冲溶液中显示出良好的电化学催化产氢活性。     

材料三维微结构表征及其晶体塑性有限元模拟

材料的力学性能，尤其是在有限变形下所呈现的宏观各向异性，是材料结构设计和服役寿命考虑的关键因素。由于宏观模型不能较好地反映材料微观结构（晶粒的形貌和取向等）对宏观塑性各向异性的影响，因此，本文建立了能实际反映晶粒形貌的三维Voronoi模型，并基于晶体塑性理论对铝合金在有限变形下的响应进行计算。首先，建立反映材料微结构的代表性体积单元RVE模型进行计算，并与实验结果进行对比验证。然后，以单向拉伸为例，分析了有限变形过程中试件的晶粒形貌和取向分布等微观因素对宏观各向异性演化的影响，并从材料和结构两个层面讨论了微观结构对宏观力学性能的影响。结果表明，本文模型能够反映微观结构对宏观力学性能的影响，为实际生产制造领域构件的力学性能提供可靠的预测。     

MOVPE生长GaN的表面反应机理

利用量子化学的 DFT 理论,对 MOVPE 生长 GaN 薄膜的表面初始反应机理进行研究。通过计算GaCH3和NH3在GaN(0001)-Ga面的4种吸附位的能量曲线发现,GaCH3在各吸附位的吸附能差值不大,因此容易在表面迁移;而NH3在各吸附位的吸附能差值较大,最稳定吸附位为Top位,迁移到其他位置需要克服较大能垒。在此基础上,提出了以NH3和 GaCH3为表面生长基元,在GaN(0001)-Ga面连续生长,最终形成环状核心的二维生长机理：在环状核心形成过程中,第1个GaN核生长需要3个NH3和1个GaCH3,可表示为Ga( NH2)3。第2个GaN核生长可利用已有的1个N作为配位原子,故只需2个NH3和1个GaCH3。2个GaN核可表示为( NH2)2 Ga-NH-Ga( NH2)2。第3个GaN核生长可利用已有的2个N作为配位原子,故只需要1个NH3和1个GaCH3。3个GaN核构成环状核心,可表示为Ga3( NH)3( NH2)3。后续的生长将重复第2个核和第3个核的生长过程,从而实现GaN薄膜的连续台阶生长。     

Study on the Synergism Effect of Lomefloxacin and Ofloxacin for Bovine Serum Albumin in Solution by Spectroscopic Techniques

Both lomefloxacin (LOM) and ofloxacin (OFL) have a powerful ability to quench the fluorescence of bovine serum albumin (BSA). The fluorescence quenching action is much stronger when the two drugs coexist. The synergism between LOM and OFL was studied using fluorescence and ultraviolet spectroscopy under imitated physiological conditions. The results show that static quenching and non-radiation energy transfer are the main reasons for the fluorescence quenching. The synergism results in both the reduction of the binding stability between drugs and BSA and an increase of the free drug concentration, which will increase the efficacy of drugs. The thermodynamic parameters at different temperatures were calculated and the binding distances r between the drugs and BSA were obtained based on Försters theory of non-radiation energy transfer. The synchronous fluorescence spectra indicated that the effect of synergism affected the conformation of BSA.     

复合马尔可夫二项模型的Gerber-Shiu折现罚金函数

本文研究复合马尔可夫二项模型的Gerber-Shiu折现罚金函数,得到了有条件和无条件的Gerber-Shiu折现罚金函数所满足的瑕疵更新方程.然后给出这些折现罚金函数的渐近表达式.     

Separation work analysis of cohesive law and consistently coupled cohesive law

An appropriate coupled cohesive law for predicting the mixed mode failure is established by combining normal separation and tangential separation of surfaces in the cohesive zone model(CZM) and the cohesive element method.The Xu-Needleman exponential cohesive law with the fully shear failure mechanism is one of the most popular models.Based on the proposed consistently coupled rule/principle,the Xu-Needleman law with the fully shear failure mechanism is proved to be a non-consistently coupled cohesive la...     

广义模糊熵与包含度的相互诱导关系

模糊熵是度量模糊集的非常重要的指标,而广义模糊熵是模糊熵在广义模糊补意义下的推广.本文首先介绍了模糊集的广义模糊熵和包含度的定义,重点研究了包含度的性质,给出了广义模糊熵与包含度之间的相互诱导关系.     

Synthesis of azo benzothiazole polymer and its application of 1 × 2 Y-branched and 2 × 2 Mach–Zehnder interferometer switch

The azo benzothiazole polyurethane–urea (ABPUU) was synthesized from chromophore molecule 4-[(6-nitrobenzothiazole-2-yl)diazenyl]phenyl-1,3-diamine NBDPD, polyether polyol (NJ-210) and isophorone diisocyanate (IPDI). The structure, thermal property, mechanical property and physical property were characterized and investigated. The refractive index (n) and thermo-optic coefficient (dn/dT) of ABPUU was determined at different temperature and wavelength (532 nm, 650 nm and 850 nm) using attenuated total reflection (ATR) technique. Using the CCD digital imaging devices, transmission loss of ABPUU was measured. A 1 × 2 Y-branched and 2 × 2 Mach–Zehnder interferometer (MZI) switch with two rib waveguides, dual driving electrodes and two critical 3-dB couplers polymeric thermo-optic switches based on thermo-optic effect of prepared ABPUU were designed and simulation. The power consumption of the Y-branched switch is less than 0.84 mW. The Y-branched and MZI switching rising and falling times obtained are 0.8 ms and 0.2 ms, respectively.