Synthesis and Magnetism of 2-Hydroxy-1,3-propylene-bis(oxamato)-bridged Co~ⅡCu~ⅡCo~Ⅱ Complexes

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Atomic radical—molecule reactions F + CH<Subscript>3</Subscript>C≡CH: mechanistic study

The reaction of atomic radical F with propyne has been studied theoretically using ab initio quantum chemistry methods and transition state theory. The potential energy surface was calculated at the CCSD(T)/aug-cc-pVDZ (single-point) level using the UMP2/6-311++G(d,p) optimized structures. Two reaction mechanisms including the addition–isomerization–elimination reaction mechanism and the directed hydrogen abstraction reaction mechanism are considered. For the hydrogen abstraction reactions, i.e., the most probable evolution pathway in the title reaction, the HF formation occurs via direct abstraction mechanism dominantly and the H atom picked up by the atomic radical F should come mostly from the methyl group of normal propyne. On the other hand, for the addition–isomerization–elimination mechanism, the most feasible pathway should be the atomic radical F attacking on the C≡C triple bond in propyne (CH₃C≡CH) to form a weakly-bound adduct A1 with no barrier, followed by F addition to the C≡C triple bond to form the low-lying intermediate isomer 5. Subsequently, isomer 5 directly dissociates to P3 H₂CCCHF + H via transition state TS₅/P3. The other reaction pathways on the doublet PES are less competitive due to thermodynamical or kinetic factors. Furthermore, based on the analysis of the kinetics of all channels through which the addition and abstraction reaction proceed, we expect that the competitive power of reaction channels may vary with experimental conditions for the title reaction. The present work will provide useful information for understanding the processes of atomic radical F reaction with other unsaturated hydrocarbons. This material is available from author via E-mail.     

Single Atoms of Iron on MoS2 Nanosheets for N2 Electroreduction into Ammonia

Efforts have been devoted to achieving a highly efficient artificial synthesis of ammonia (NH₃). Reported herein is a novel Fe-MoS₂ catalyst with Fe atomically dispersed onto MoS₂ nanosheets, imitating natural nitrogenase, to boost N₂ electroreduction into NH₃ at room temperature. The Fe-MoS₂ nanosheets exhibited a faradic efficiency of 18.8 % with a yield rate of 8.63 μg mg_cat.⁻¹ h⁻¹ for NH₃ at −0.3 V versus the reversible hydrogen electrode. The mechanism study revealed that the electroreduction of N₂ was promoted and the competing hydrogen evolution reaction was suppressed by decorating the edge sites of S in MoS₂ with the atomically dispersed Fe, resulting in high catalytic performance for the electroreduction of N₂ into NH₃. This work provides new ideas for the design of catalysts for N₂ electroreduction and strengthens the understanding about N₂ activation over Mo-based catalysts.     

新型除草剂及其杂质的LC-MS和GC-MS分析

High performance liquid chromatography (HPLC) and electrospray ionization mass spectrometry (ESI-MS) have been utilized to analyze the synthesized 2-(2-arylaminomethylphenoxy)pyrimidine derivatives, which are a new kind of environmentally benign herbicides and have passed the temporary pesticide registration. The identification of main product and impurities has been achieved according to the UV and mass spectra. Moreover, one impurity, introduced by the raw material in the last step of the synthetic route, was identified by GC-MS analysis. It can be concluded that the combination of chromatography and mass spectrometry, including LC-MS and GC-MS, provided a vital tool of the pesticide science.     

Synthesis of high purity single-walled carbon nanotubes in high yield

A simple method for the synthesis of high purity single wall carbon nanotubes has been developed by using nickel formate as a precursor for the formation of nearly mono-dispersed nickel seed-nanoparticles as catalysts in the CVD growth process.     

USB总线在自动测试中的应用

提出自动测试（或虚拟仪器）的接口技术应跟随通用计算机接口技术与标准的原则，即在自动测试系统中采用通用串行总线（USB）接口是发展的方向．具体论述了USB的基本特性和用于自动测试系统中的开发方法与应用前景．     

针刺老年大鼠"足三里"、"关元"穴对SOD、CAT、GSH-PX活性影响的实验研究

通过针刺老年大鼠“足三里”、“关元”穴^(1)观测大鼠脑、心、肾组织中超氧化物歧化酶(SOD)、过氧化氢酶(CAT)、谷胱甘肽过氧化物酶(GSH—PX)活性的变化来探讨针刺与衰老的关系。采用生物化学方法检测针刺后大鼠组织内SOD、CAT、GSH—PX含量的变化。结果表明，针刺能提高脑、心、肾组织中SOD、CAT及GSH—PX活性。提示针刺老年大鼠“足三里”、“关元”穴区能提高氧化清除酶活性，抑制脂质过氧化反应，从而起到延缓衰老的进程，达到抗衰老作用。     

一种新的基于投影矩的三维图像配准方法

提出一种投影矩的概念，并将其用于三维医学图像的配准．与传统的几何矩相比，投影矩不仅可以完各地描述图像的特征，而且计算量较小，因而可以将其用于三维图像的实时配准．选取待配准的2幅三维图像若干阶投影矩差的平方和为目标函数，采用Powell方法求取最优解，得到配准结果．将方法应用于一些模拟和实际数据，获得了较高精度的实验结果；并且缩短了整个计算过程的时间．这表明投影矩在多模态医学图像的配准和融合等方面具有潜在的实用价值．     

电脑横机花型准备系统中混沌、分形图纹的生成

讨论了电脑横机花型准备系统中混沌、分形图纹的四种生成方法,给出了图纹编织花板的存储形式.花型准备系统中混沌、分形图纹的引入,大大提高了花型设计的快速性和花色品种的多样性.