离子交换树脂负载Ni—B无定形合金催化剂的制备与性能

制备了一种新型离子交换树脂负载的Ｎｉ－Ｂ无定形合金催化剂．用３种树脂作为催化剂载体，即弱酸型阳离子树脂Ｄ１５２，强酸型阳离子树脂Ｄ７２及强碱型阴离子树脂Ｄ２６１．用ＸＰＳ、ＴＥＭ和ＩＣＰ等技术对催化剂进行了表征．结果表明，催化剂上镍与带有功能基的载体树脂之间有着很强的相互作用，但其强度与所带的功能基有关．３种催化剂Ｎｉ２ｐ３／２的ＸＰＳ谱图上，ＮｉＢ／Ｄ１５２催化剂的氧化态峰最小，而ＮｉＢ／Ｄ２６１的氧化态峰最大．异丙醇脱氢反应活性实验证实了这一结果．     

生物检材中乌头类生物碱的检验

 用薄层 (TLC)、高效液相 光电二极管阵列检测器 (HPLC/DAD)、动物实验等方法对生物检材中乌头生物碱进行检验 ,并对这些方法进行比较。结果发现 ,TLC法为此类药物检验筛选的首选方法 ,最小检出量为 0 3μg。在进行HPLC检测时 ,以乌头生物碱的特征紫外吸收光谱和动物实验结果为重要的定性手段 ,其特征吸收波长为 (2 2 8± 2 )nm和 (2 75± 2 )nm。乌头生物碱在 2mg/L～ 5 0mg/L时其峰面积与质量浓度有很好的线性 ,相关系数为 0 9996。经实际案件证明 ,方法准确、灵敏 ,可用于生物检材中乌头类生物碱的检验。     

微型集成化色谱仪

用微制造技术和色谱原理结合，以全新的概念和设计思维研制色谱仪一微型集成化色谱仪。这种仪器的整个色谱部分在基片上制成。集微型进样器，细内径毛细管柱和微型固体检测器于一体，功耗不过几瓦，重不过几百克，而分析速度比现有仪器提高近一个数量级，检测灵敏度可达１０＾－６Ｖ／Ｖ。这种仪器的制作过程类似半导体器件，能大批量，性能高度重复可靠、而成本极为低廉地制造出来，彻底改变传统色谱仪器的生产方式。本文给出这种仪     

Density functional theory study on the first hyperpolarizabilities of organoimido derivatives of hexamolybdates

The first hyperpolarizabilities and origin of nonlinear optical (NLO) properties of arylimido molybdate derivatives have been investigated by density functional theory (DFT). The molecular orbital character analysis reveals that organoimido-to-polyanion charge transfer may be responsible for the NLO properties of this kind of molybdate derivatives. The NLO study shows intra-ion charge transfer is helpful to increase the first hyperpolarizability of arylimido molybdate derivatives. The lengthening of organoimido pi-conjugation enhances the betavec value. System 4 has the largest betavec value at the static electronic field, 1.238 x 10(-27)esu. Orbital analysis shows that the degree of charge transfer between polyanion cluster and organic segment was increased when the second organoimido polyanion was introduced. The present investigation provides important insight into NLO origin and properties of polyanion arylimido molybdate derivatives.     

固相萃取搅拌棒萃取-气相色谱分析海水中的多环芳烃

利用固相萃取搅拌棒（SBSE）萃取海水中的多环芳烃，然后用热解吸脱附-气相色谱分析。研究了萃取时间、添加NaCl浓度对萃取效率的影响。实验结果表明，SBSE方法对16种多环芳烃的萃取回收率分别在33．5％～122．4％之间；对标准样品的检出限为2．74-13．5ng／L；方法RSD为3．8％～13．1％。用此方法测定了大连海岸海水中的多环芳烃含量。     

CdS nanocrystallites sensitized ZnO nanorods with plasmon enhanced photoelectrochemical performance

A sandwiched structure of CdS/Ag/ZnO nanorod photoanode exhibits greatly enhanced photoelectrochemical activity for solar hydrogen generation, due to synergistic effect of CdS nanocrystallites and plasmonic Ag nanoparticles for the enhanced optical absorption and the promoted charge carrier separation.     

毛细管气相色谱法同时测定水产品中的多氯联苯和有机氯农药残留量

建立了毛细管气相色谱法同时测定水产品中多氯联苯和有机氯农药的方法，用高氯酸与冰乙酸的混合溶液消化样品，以石油醚提取，浓硫酸净化后，用毛细管气相色谱法测定，方法的回收法为88％－110％，相对标准偏差为8％－19％（n=6)，检出限为0．08－0．60ug/kg，方法简便，快速，结果准确。     

应用地质累积指数评价成都市河流表层沉积物重金属污染

根据流经成都市内的三条河流(府河、南河、沙河)表层沉积物重金属资料,应用地质累积指数法对重金属污染进行了评价研究。结果表明,河流主要的重金属污染物是Cr,地质累积指数分级多在0~1之间,属于无污染-中度污染范畴。     

A Quantum Chemical Study of N14 Cluster

Ab initio molecular orbital theory and density functional theory have been employed to study N₁₄ cluster with low spin at the HF/6-31G*, B3LYP/6-31G*, B3PW91/6-31G*, BP86/6-31G*, and BHLYP/6-31G* levels of theory. Twelve isomers were studied, including one previously investigated cage molecule. The most stable isomer of N₁₄ is a C _2h -symmetric molecule that contains two separated five-membered nitrogen rings connected by a —N=N—N=N— bridge. The second, third, and fifth most stable isomers each have one five-membered nitrogen ring. The theoretical results suggest that the five-membered nitrogen ring gives rise to a particularly stable structural unit, and the more side chains that the five-membered nitrogen ring links with, the less stable the structure will become.     

Studies on the Performance and Structure of Supported Catalysts for the Partial Oxidation of Methane to Syngas

The catalytic properties of several supported metal catalysts on different carriers were studied in the partial oxidation of methane (POM) to syngas. In our experiment, supported noble metal catalysts exhibited better performance than the other supported transition metal catalysts. The catalyst performances were significantly influenced by the d-electron configuration of the active metal components and the dispersion of active metal components on the support. A catalyst with a moderate number of unpaired electrons in the d-orbital of the active metal support without obvious acidity or redox activity (e.g. MgO) was suitable for POM performance. The Rh/SiO2 catalyst was the best in the POM reaction, among those investigated. Reaction conditions apparently also affected the POM performance of the catalyst. The conversion of methane and the selectivity for CO increased with the reaction temperature, and a high CH4/O2 ratio was not beneficial for POM performance.