卤键在化学传感和分子识别中的应用

卤键是一种新的分子间非共价作用力,它存在于卤素原子(路易斯酸)和具有孤电子对的原子或π-电子体系(路易斯碱)之间,在超分子化学、材料科学、生物识别和药物设计等领域已经显示出独特的优势。本文主要从卤键的特征和在化学传感和分子识别中的应用以及发展前景等几方面进行了介绍,期望引起人们对卤键的更多关注。     

钪与氧空位共掺杂锐钛矿相TiO2的形成能与电子结构的第一性原理研究

采用基于密度泛函理论的第一性原理研究了钪(Sc)、氧空位(O_V)单/共掺杂锐钛矿相TiO₂,对晶体结构、形成能以及电子结构进行了对比分析.研究结果表明,Sc-TiO₂在富氧环境下缺陷形成能为负值,富钛环境下缺陷形成能为正值,表明Sc-TiO₂只能在富氧环境下制备;O_V-TiO₂、Sc-O_V-TiO₂在富氧或富钛环境下缺陷形成能均为负值,但富氧环境下形成能更低;O_V-TiO₂的0/1-缺陷电荷转变能级为深能级,而Sc-TiO₂的0/1-缺陷电荷转变能级则属于相对较浅能级;与纯锐钛矿相TiO₂相比,Sc-TiO₂的禁带宽度略有减小,但O_V-TiO₂、Sc-O_V-TiO₂禁带宽度变宽.     

Formation of Ultrafine Apatite Fibers by Sol-gel/Electrospinning

Ultrafine apatite fibers were prepared by electrospinning of sol-gel precursor/poly（ vinyl pyrrolidone） （PVP） solutions followed by subsequent calcination. The as-electrospun and calcinated fibers were observed under a scanning electron microscope and an optical polarizing microscope. Results show that the morphology and the diameter of as-electrospun fibers strongly depend on the viscosity and the surface tension of sol-gel precursor/PVP solutions. After calcination, the smooth as-electrospun fibers shrink and the fiber diameter decreases because of the removal of the polymer. The chemical evolution upon the transformation of the precursor from a gel to the final apatite fibers was investigated by thermogravimetric-differenfial thermal analysis, X-ray diffraction, and Fourier transform infrared spectroscopy. It is thus suggested that the crystalline structure of the calcined fibers is largely influenced by the calcination temperature. After being calcined at 600 ℃, the apatite fibers with a diameter of about 280 nm containing β-tricalcium phosphate were obtained.     

Multi-wavelength fiber laser based on broadband fiber grating and HiBi fiber loop mirror

Multi-wavelength fiber lasers have attracted a lot of in- terest in recent years because of its potential applications in optical wavelength division multiplexing (WDM) systems, fiber sensors, and other fiber-optics instruments. Because of the predominant…     

基于高阶累计量的大气光通信自适应信号处理

针对强湍流信道下信号衰落的特点,分析了对数正态分布模型与K分布模型的适用范围.基于K分布模型建立大气光通信接收信号模型,并给出了自适应最优门限检测方法.采用四阶和六阶累计量对强湍流信道参量进行估计,采用二阶累计量对其它高斯噪音进行估计,得到K分布参量及高斯噪音统计量的预测值,实现自适应门限更新.基于Monte Calro算法进行仿真,给出了门限更新算法对通信系统误码率的影响,同时分析了信号采样率对估计参量偏差的影响.计算表明,在强湍流情况下,大气光通信系统的误码率性能得到极大的改善,优于基于MLSD检测的接收机.     

交替惩罚三线性分解算法结合三维荧光光谱法同时分辨和测定酪氨酸、苯丙氨酸和色氨酸

用交替惩罚三线性分解算法(APTLD)结合三维荧光光谱法给出的二维数据对酪氨酸、苯丙氨酸和色氨酸进行了同时定性定量分析,为直接同时测定混合氨基酸中此三种物质提供了一种新的分析方法, 其测定相关系数分别为0.9987,0.9995和0.9993。采用超声波组织细胞破碎法对木槿叶中的氨基酸进行提取,利用APTLD法对提取液中氨基酸进行定量测定,测定相对标准偏差分别为0.84％,0.36％,1.59％, 回收率分别在101.0％～92.7％, 106.5％～93.0％, 103.0％～95.0％之间,方法简洁、快速、准确可靠,结果令人满意。     

双向多波长泵浦喇曼光纤放大器的优化算法

在变步长的龙格库塔法的基础上,提出利用打靶法,通过先猜测再修正的逐渐逼近的方法来确定计算初始值,进而求解双向泵浦喇曼放大器的功率耦合方程。并利用此算法对三泵浦波长的喇曼放大器进行优化设计,选择泵浦波长分别为1427nm、1445nm和1466nm时进行数值模拟,得到了1dB带宽35nm左右的较好的增益平坦度。     

Analysis of the Composition of Deinagkistrodon acutus Snake Venom Based on Proteomics,and Its Antithrombotic Activity and Toxicity Studies

There is a strong correlation between the composition of Deinagkistrodon acutus venom proteins and their potential pharmacological effects. The proteomic analysis revealed 103 proteins identified through label-free proteomics from 30 different snake venom families. Phospholipase A2 (30.0%), snaclec (21.0%), antithrombin (17.8%), thrombin (8.1%) and metalloproteinases (4.2%) were the most abundant proteins. The main toxicity of Deinagkistrodon acutus venom is hematotoxicity and neurotoxicity, and it acts on the lung. Deinagkistrodon acutus venom may have anticoagulant and antithrombotic effects. In summary, the protein profile and related toxicity and pharmacological activity of Deinagkistrodon acutus venom from southwest China were put forward for the first time. In addition, we revealed the relationship between the main toxicity, pharmacological effects, and the protein components of snake venom.     

An Improved Method for Purification of β-Copperphthalocyanine

A sublimation apparatus in which a high temperature slightly lower than the sublimation point of copperphthalocyanine remains constant over a long condensation region has been developed. A sufficiently pure material for electrophotographic measurements can be obtained only when this high temperature is maintained nearly constant over the long condensation region along the sublimation tube. After the thired sublimation, the value of copper contents in the sample is 11.03 · 0.02%, according to the chelatometric titrations, while the theoreitcal value of stoichimetric composition is 11.03%. Emission spectrochemical analysis shows that only traces of Si and Mg are found in the sample after the sixth sublimation. Single crystal srown in the sublimation tube are characterized and the growth mechanism is discussed.