三苯胺衍生物的合成、晶体结构及光致发光性能研究

合成了一种三苯胺类衍生物4-四氮唑基三苯胺,培养单晶并解析了其单晶结构,结合红外光谱、紫外可见吸收光谱、荧光光谱等手段对化合物的结构和发光性质进行了系统研究.研究结果表明,无论在溶液还是在固体状态下该材料均有较强的光致发光性能.单晶结构分析表明,该物质固体分子间存在着较强的分子间氢键,使其形成三维孔道结构,表明4-四氮唑基三苯胺分子应具有较好的载流子传输能力.     

温度对LiCl和LiNO3/N,N-二甲基甲酰胺溶液结构的影响

研究了N,N-二甲基甲酰胺(DMF)纯溶剂、不同浓度LiCl/DMF和LiNO3/DMF溶液的红外光谱,得到随着温度升高,发生溶剂化作用的DMF分子比例不断降低,阴阳离子对构型比例逐渐增加的规律.采用密度泛函理论计算验证了红外谱图随温度升高变化的实质,得出溶液中存在的团簇构型主要为阴阳离子对构型(LiCl(DMF)n和LiNO3(DMF)n),阳离子构型[Li(DMF)n]+和阴离子构型([Cl(DMF)n]-,[NO3(DMF)n]-)的结论.     

同步导数荧光光谱法测定食品中3种芳香族氨基酸

提出了同步导数荧光光谱法同时测定食品中色氨酸、酪氨酸和苯丙氨酸的方法。试验表明:为排除干扰,色氨酸、酪氨酸和苯丙氨酸的特征同步导数荧光波长宜选定279,224,256 nm,波长差Δλ为55,70,25 nm条件下进行同步扫描。3种芳香族氨基酸的浓度分别在一定范围内与其导数荧光强度呈线性关系,检出限（3s/k）分别为6.3×10^-9,1.6×10^-8,4.0×10^-7mol·L^-1。方法用于蜂蜜、羊奶粉和啤酒样品中3种芳香族氨基酸的测定,回收率在92.3%～103%之间。     

Diversity evolution and jump of Polo-like kinase 1 inhibitors

Polo-like kinase 1 (Plk1), a member of a family of serine/threonine kinases, is an attractive target for the development of anticancer drugs because it is involved in the regulation of cell-cycle progression and cytokinesis. This kinase provides two pockets for developing Plk1 inhibitors: the N-terminal catalytic domain (NCD) and the polo-box domain (PBD). For both of the two pockets, some natural products were identified as Plk1 inhibitors and some synthetic Plk1 inhibitors were developed by mimicking ATP and phosphopeptides, natural products binding to NCD and PBD respectively. This article not only reviews the progression of Plk1 inhibitors binding to these two pockets, but also discusses diversity evolution and jump in the process of drug development using Plk1 inhibitors as examples and how they impact on drug design and pharmacophore modeling.     

Improving Interfacial Electrochemistry of LiNi0.5Mn1.5O4 Cathode Coated by Mn3O4

In this work the surface of LiNi\begin{document}$_{0.5}$\end{document}Mn\begin{document}$_{1.5}$\end{document}O\begin{document}$_{4}$\end{document} (LMN) particles is modified by Mn\begin{document}$_{3}$\end{document}O\begin{document}$_{4}$\end{document} coating through a simple wet grinding method, the electronic conductivity is significantly improved from 1.53\begin{document}$\times$\end{document}10\begin{document}$^{-7}$\end{document} S/cm to 3.15\begin{document}$\times$\end{document}10\begin{document}$^{-5}$\end{document} S/cm after 2.6 wt% Mn\begin{document}$_{3}$\end{document}O\begin{document}$_{4}$\end{document} coating. The electrochemical test results indicate that Mn\begin{document}$_{3}$\end{document}O\begin{document}$_{4}$\end{document} coating dramatically enhances both rate performance and cycling capability (at 55 ℃) of LNM. Among the samples, 2.6 wt% Mn\begin{document}$_{3}$\end{document}O\begin{document}$_{4}$\end{document}-coated LNM not only exhibits excellent rate capability (a large capacity of 108 mAh/g at 10 C rate) but also shows 78% capacity retention at 55 ℃ and 1 C rate after 100 cycles.     

木基炭微纳功能骨架

木基炭骨架能精准遗传木材经过长期进化所形成的层次分明、构造有序的天然多级结构,这种炭骨架由于特殊的层级结构特征,在生物模板、传感器、吸油材料和纳米材料制备基材等方面有巨大应用潜力。同时还可作为一类新型的骨架进行微纳功能修饰和结构二次调控,在海水淡化、污水清理、能源存储与转化等诸多领域具有极为广阔的应用空间。本文首先介绍了木材的基本结构,综述了木材热解过程中结构的变化,介绍了近年来木材炭化骨架作为新型功能材料的前沿应用,对应用过程中亟待解决的问题进行了剖析,并对木基炭骨架材料未来的研究方向进行了展望。本综述旨在重新对木材层级结构进行功能化开发,从而推动木材在功能材料领域的蓬勃发展。     

高效析氧电催化剂Co3O4@NiMn-LDH异质结构阵列的制备

我们合理设计和制备了一种新型的高性能析氧电催化剂——泡沫镍负载Co_3O_4@NiMn-LDH(层状双金属氢氧化物)三维异质结构阵列(Co_3O_4@NiMn-LDH/NF)。这种基于泡沫镍基底的三维异质结构催化剂经简单的两步水热反应即可制得。对比Co_3O_4、NiMn-LDH及传统RuO2催化剂,所制备的Co_3O_4@NiMn-LDH/NF催化剂展示出更优异的电催化析氧性能。在1 mol·L~(-1)KOH溶液中,电流密度为50 mA·cm~(-2)时的过电势仅为282 mV,塔菲尔斜率为64 mV·dec~(-1)。通过有效的界面工程设计,使异质结构陈列Co_3O_4@NiMn-LDH发挥出Co_3O_4和NiMn-LDH各自优异的电催化性能。其中,基于泡沫镍基底生长的活性组分Co_3O_4纳米线阵列作为中间核支撑结构,保持了良好的空隙率,不仅有利于暴露更多的活性位点,而且有利于电解液的扩散和气体产物的释放;而依附于Co_3O_4纳米线阵列上的NiMn-LDH异质结构纳米片层则富有更多的亲水性基团,使得活性位点更易与水结合,从而促进氧析出反应的进行。     

Structural characteristic and formation mechanism of hemihydrate calcium sulfate whiskers prepared using FGD gypsum

Hemihydrate calcium sulfate whiskers (HH-CSWs) were hydrothermally synthesized in a sulfuric acid solution at 120 °C for different holding times (20, 40, and 60 min). The phase structures and morphologies were characterized by XRD and SEM, respectively. The XRD pattern of the sample under 60 min was refined via the Rietveld fitting method. The structure models of the HH-CSW sample under a 60-min holding time was established based on Rietveld fitting results. No difference in the positions of diffraction peaks was determined. The as-prepared holding time increased the intensity and aspect ratio of the diffraction peaks of both samples. In the prepared HH-CSW structure, Ca–O polyhedron is a 12-sided polyhedron similar to that in the gypsum structure; the Ca atom is located in two positions in the one-unit cell; the H₂O channel along the c-axis similar is O-shaped and bigger than that in hexagonal and monoclinic CaSO₄·0.5H₂O structures. Therefore, although the prepared HH-CSW crystals’ structure are similar to that of the reported hexagonal and monoclinic CaSO₄·0.5H₂O structures, they are not the same. The formation mechanism of HH-CSW from flue gas desulfurization (FGD) gypsum is discussed based on the analysis of gypsum structure.     

基于颗粒物质力学的铁粉末压制中摩擦特性对力链演化影响

结合颗粒物质力学理论,通过离散元法实现铁粉末压制过程模拟并通过压制方程进行验证,针对粉末体系中的力链演化问题,提出力链特征定量分析方式,进一步通过分析不同颗粒间摩擦系数、侧壁摩擦系数与颗粒运动状态转变的方式,探讨摩擦特性对力链量化特征的影响,从而建立摩擦行为与力链演化间的联系. 研究结果表明:随颗粒间摩擦系数增大,整体力链数目变少,力链方向系数、承载不均匀度及单位屈曲度均变大,而随侧壁摩擦系数增大,力链特征差异较小,则颗粒间摩擦系数较侧壁摩擦系数对力链特征演化具有更显著影响. 同时发现,颗粒接触状态的改变与力链特征演化间具有对应性. 研究成果将进一步拓展粉末压制中考虑摩擦行为及力链演化过程在内的粉体致密化行为理论.      

The effect of remanufacturing on procurement decisions for resellers in secondary markets

The role of remanufacturing as a competitive tool for firms has been reflected in a number of studies to show that remanufacturing can reduce the unit cost of production by reusing components. However, the fact that remanufacturing can be used as a strategic tool for serving secondary markets as well has not been acknowledged in the literature. In this paper, we study the use of remanufacturing as a tool to serve secondary markets. Specifically, we model the case of a reseller who procures used products based on an older generation of technology from an advanced market and then uses one of two options: (a) she can either resell a small fraction of these used products in a developing market where the technology is acceptable, or (b) she can invest in the remanufacturing of these products and then sell them in the developing market at a higher price. The main result of the paper is that using remanufacturing to serve secondary markets reduces the number of units procured from the advanced market for the reseller. In addition, we show based on certain cost structures that the reseller is always better off if she uses remanufacturing to a certain extent.