（S）-噻吗洛尔半水合物的合成及表征

为了开发β受体阻断剂新药（S）-噻吗洛尔半水合物，采用3-吗啉-4-氯-1，2，5-噻二唑为起始原料，经水解反应得到中间体1（3-吗啉-4-羟基-1，2，5-噻二唑）。中间体1与R-环氧氯丙烷发生醚化反应，经后处理及重结晶得到中间体2 {（R）-4-［4-（环氧乙烷-2-基甲氧基）-1，2，5-噻二唑-3-基］吗啉}。中间体2经胺化反应、马来酸成盐及重结晶得到（S）-马来酸噻吗洛尔。（S）-马来酸噻吗洛尔经游离、纯水转晶得到符合药典标准的（S）-噻吗洛尔半水合物，总收率14.05%且e.e.值为99.66%。最终成品经IR、1H-NMR、13C-NMR、MS、TGA、DSC表征，并优化各步反应条件。结果表明:以三乙胺为醚化反应缚酸剂75 ℃反应最佳；以乙醇为胺化反应溶剂46 ℃反应16 h最佳；S-噻吗洛尔的转晶拆分以水作溶剂，比传统不对称合成工艺安全稳定，操作简单，适合工业化生产。     

单次反射ATR-FTIR红外光谱法在涂膜表面成分分析中的应用

运用傅里叶变换衰减全反射红外光谱法(ATR-FTIR)中的单次反射法对水性偏氯乙烯-丙烯酸酯共聚物薄膜进行辅助定性研究,考察了具有不同偏氯乙烯单体含量的共聚物薄膜的红外谱图变化。同时运用单次反射ATR-FTIR法对施工现场取回的红色脱落涂膜进行定性分析。     

基于组合度量的应急救援网络路由算法研究

针对AODV协议只选用跳数最小进行选路的缺陷,提出一种新的基于组合量度的路由协议(AMAODV)。该协议综合考虑路由的跳数、节点间链路的有效期和可用带宽3种因素,通过层次分析的方法判定上述3种因素对链路传输的影响,提出了组合度量函数,借助组合度量函数的计算来选择一条具有较小度量值的路径进行传输。仿真结果表明:AMAODV协议在适应高速移动的网络环境上具有一定优势,并能降低网络时延和增加网络吞吐量。     

Energy Band-gap Calculation of d-Ta2O5 Using sX-LDA and B3LYP Methods

The energy band-gap and related factors of tantalum pentoxide with hexagonal phase were investigated using hybrid functional B3 LYP and s X-LDA methods. The results showed that both s X-LDA and B3 LYP techniques reveal the indirect semiconductor nature of δ-Ta2O5, whereas the obtained value of energy band-gap is much higher than previous theoretical reports but closer to the experimental data. The optical bandgap of δ-Ta2O5 is expected to originate from the O 2p→Ta 5d transition which may benefit from the d-s-p hybridization.     

面向大学生心理问题分析的数据挖掘应用

当前已经进入大数据时代,数据挖掘是在大量的数据中提取有用的有价值的知识。本文结合高校学生心理测试产生的数据,采用ID3算法构造决策树分析预测大学生心理健康状况,为学校的心理辅导工作提供参考依据。     

不同晶相结构ZrO2负载铜基催化剂用于二乙醇胺脱氢反应

通过制备不同晶相结构〔单斜相(m-ZrO_2)、四方相(t-ZrO_2)和无定型(a-ZrO_2)〕ZrO_2载体,再通过沉积沉淀法制得Cu/m-ZrO_2、Cu/t-ZrO_2和Cu/a-ZrO_2催化剂,分别用于催化二乙醇胺脱氢合成亚氨基二乙酸反应。采用XRD、氮气物理吸附脱附、XPS、H_2-TPR、CO_2-TPD对催化剂的结构进行了表征。结果表明,Cu/m-ZrO_2催化剂界面更加有利于Cu~+/Cu~0稳定存在,具有更多的碱性位点,且抗氧化性较好。在二乙醇胺脱氢反应中,Cu/m-ZrO_2催化剂性能最好,反应时间为2.5 h,亚氨基二乙酸收率为97.64%。     

Room Temperature Ferromagnetism in Co-doped CuAlO2 Nanofibers Fabricated by Electrospinning

One-dimensional, diluted magnetic semiconductor nanofibers have attracted increasing attention for their unique magnetic properties, large specific surface area, and high porosity. These qualities lead to excellent performance in magneto-optical devices, magnetic resonance imaging, ferrofluids and magnetic separation. The purpose of this study is to fabricate P-type one dimensional CuAlO2-based diluted magnetic semiconductor nanofibers. First, we fabricated Cu Al0.95Co0.05O2 nanofibers with an average diameter of 1 μm with the electrospinning method. The annealed nanofibers were thermally treated at a temperature of 1 100 ℃ and then shrunk to a diameter of about 650 nm. We used X-ray diffraction measurements and Raman spectra to confirm that the Cu Al0.95Co0.05O2 nanofibers had a single impurity free delafossite phase. The X-ray photoelectron spectroscopy analysis indicates that Co was present in the +2 oxidation state, resulting in an room temperature ferromagnetism in the Cu Al0.95Co0.05O2 fiber. This contrasts with nonmagnetism in pristine CuAlO2 fiber. The coercivity(Hc) value of 65.26 Oe and approximate saturation magnetization(Ms) of 0.012 emu/g demonstrate good evidence of ferromagnetism at room temperature for Cu Al0.95Co0.05O2 nanofibers.     

反式-1,4-聚异戊二烯的老化行为及分子模拟研究进展

概述了反式-1,4-聚异戊二烯(TPI)老化行为的研究进展,介绍了TPI的老化类型及部分老化机理,探讨了分子模拟技术在研究TPI老化过程中微观结构的优势,综述了分子模拟方法在老化机理研究方面的应用,并提出了发展建议。