三氟乙酸六咪唑合镍配合物的合成及晶体结构(英文)

合成了一种新的配合物[Ni(Im)6](CF3COO)2(Im=咪唑),并用X射线衍射、红外光谱和核磁共振氢谱对其结构进行了表征.结果表明,合成的新化合物晶体结构属于单斜晶系,空间群为P21/c;晶胞参数为a=1.080 9(2)nm,b=1.771 8(4)nm,c=0.792 63(16)nm,α=90°,β=96.86(3)°,γ=90°,V=1.507 1(5)nm3,Z=2,Dc=1.528 Mg/m3,μ=0.731 mm-1,F(000)=708.该配合物中心离子Ni(Ⅱ)呈典型的八面体配位构型.     

Discovery of xanthine oxidase inhibitors from a complex mixture using an online,restricted-access material coupled with column-switching liquid chromatography with a diode-array detection system

To find potential lead compounds for antigout drug discovery, an automated online, restricted-access material coupled with column-switching liquid chromatography with a diode-array detection (RAM–LC–DAD) system was developed for screening of xanthine oxidase (XO) inhibitors and their affinity rankings in complex mixtures. The system was first evaluated by analyzing a mixture of six compounds with known inhibition of XO. Nonspecific binding to the denatured XO was investigated and used as the control for screening. Subsequently, the newly developed system was applied to screening of a natural product, Oroxylum indicum extract, and four compounds which could specifically interact with XO were found and identified as oroxin B, oroxin A, baicalin, and baicalein. The results were verified by a competitive binding test using the known competitive inhibitor allopurinol and were further validated by an inhibition assay in vitro. The online RAM–LC–DAD system developed was shown to be a simple and effective strategy for the rapid screening of bioactive compounds from a complex mixture.

标架型RKHS中的SVM的半参数估计

在基于标架型的再生核希尔伯特空间中，研究了SVM算法下，解的对偶形式和原形式之间的关系，进而将SVM算法与最小二乘法相结合，讨论了支持向量机的半参数估计．     

为姿态精确测量系统提供统一时间基准的一种方法

为了实现同步录取导航系统姿态数据的功能,以惯性导航系统为主体的舰船姿态精确测量系统需要建立统一的内部时间基准.利用内时统造码技术并辅以复杂的可编程逻辑器件,给数据高速采集系统中的采集数据贴上精确的时间标签,研制成功一种时标控制装置,频率变化为(10-6,时钟精度误差(0.002 (s/s,一天工作累计误差不大于20 (s.此方案已经成功地应用于综合试验船的惯导系统数据录取装置中,实现了导航系统试验时导航和姿态信息的同步录取.     

In-situ concentration and determination of mercury by graphite furnace atomic absorption spectrometry with Pd-Rh as the chemical modifier

A method has been proposed for the determination of mercury by cold vapor generation graphite furnace atomic absorption spectrometry (CV-GFAAS) with Pd-Rh as coating and chemical modifier. The trapping efficiency for mercury with Pd-Rh was higher than with Pd alone. The characteristic mass of the method, which gives an integrated absorbance of 0.0044 s, was found to be 55 pg and the absolute detection limit (3 σ) of 37 pg was obtained with the proposed modifier. The method was successfully applied to the determination of mercury in standard reference water samples, wastewater samples and cosmetics with a recovery range of 95–104%. Received: 10 April 1998 / Revised: 20 August 1998 / Accepted: 23 September 1998     

基于NSGA-Ⅱ的应急储备库多目标

应急物资储备库选址问题是在近年世界灾害多发的现实背景下产生的,根据具体选址问题特点建立了多目标选址决策模型。该模型综合考虑了两种灾害风险下储备库的成本费用、覆盖效率以及对重点地区的备用覆盖,以使模型更加符合实际目标及约束情况。算法设计上,首次采用带精英策略的非支配排序遗传算法(Fast and elitist Non-dominated Sorting Genetic Algorithm Ⅱ,NSGA-Ⅱ)解决储备库多目标选址问题,得到了Pareto非劣解分布并同不带精英策略的常规NSGA算法下的仿真结果进行对比分析。验证了模型的可行性以及NSGA-Ⅱ在解决储备库多目标选址问题的有效性。     

Synthesis of p-Hydroxybenzaldehyde by Liquid-phase Catalytic Oxidation of p-Cresol over PVDF Modified Cobalt Pyrophosphate

The influence of the wettability of a catalyst on the performance of the liquid phase oxidation of p-cresol was investigated. It was found that the surface hydrophobicity of a catalyst, which can be changed by modification with various loadings of polyvinylidene fluoride(PVDF), has a promotion effect on the catalytic performance. At the same time, the reaction parameters such as oxygen pressure, molar ratio of NaOH to p-cresol, reaction temperature and time on the catalytic performance in the liquid-phase oxidation of p-cresol were optimized. As a result, 10%(mass fraction) PVDF modified cobalt pyrophosphate gave the highest conversion of 94.2% of p-cresol with a selectivity of 94.4% for p-hydroxybenzaldehyde at 348 K and a molar ratio of 4:1 of NaOH/p-cresol and an oxygen pressure of 1.0 MPa for 3 h.     

纳米TiO2 的制备及其光催化降解性能

采用低温水解沉淀法以TiCl4为原料制备了纳米TiO2,其结构经TEM和XRD表征。研究了太阳光激发下纳米TiO2对甲基橙的光催化降解性能,结果显示：纳米TiO2的分散性越好,粒径越小,光催化降解能力越强;以锐钛矿为主的复合纳米TiO2晶体比纯锐钛矿晶相具有更优异的光催化活性。     

Ba2+,Al3+,Sr2+掺杂YF3∶Ho3+,Yb3+上转换发光的研究

为了提高上转换材料在激光防伪领域的绿光发射强度,采用高温固相法制备Ba2、Al3+、Sr2+掺杂YF3∶Ho3+,Yb3+材料.通过980 nm近红外激发的上转换发射光谱,可知Ba2+、Al3+、Sr2+的掺杂都会使得晶格收缩,降低稀土离子周围晶体场的对称性,其546 nm绿光强度分别是未掺杂该金属离子样品的1.6倍、1.1倍、1.2倍.并根据X射线衍射(XRD)探究Ba2+含量对晶相的作用.通过差热分析(DTA)、上转换发射光谱、XRD、扫描电子显微镜(SEM),结果表明:对于最佳Ba2、Al3+、Sr2+掺杂含量但不同烧结温度的样品,当合成温度为940℃时发光性能、结晶度和晶粒生长较好.通过发射强度与激发电流的拟合结果,说明546 nm绿光是双光子吸收过程,并阐述980 nm激发YF3∶Ho3+,Yb3发光材料的能级跃迁过程.     

ZnOEP:Alq3掺杂体系的电致发光

采用八乙基卟啉锌（2,3,7,8,12,13,17,18,－octaethyl-21H23H-porphine zinc,ZnOEP）掺杂八羟基喹啉铝为发光层,在不同的掺杂浓度下,制备了结构为ITO/TPD/ZnOEP:Alq3/Alq3/Mg:Ag的多个器件,并测试了们的发光光谱、亮度－电流曲线以及亮度对时间的响应特性。结果发现,当ZnOEP掺杂浓度从05%变化到15%时,器件的发光光谱明显不同,可以分别得到从橙黄色到红色等不同发光颜色的器件,器件发光效率也从0.96cd/A变化到0.14cd/A。上述现象可由ZnOEP的自吸收和浓度猝灭效应来解释。另外,器件的驱动特性表明,Alq3和ZnOEP之间可能存在的能量传递过程。