Green Method for the Synthesis of Benzo[f]pyrimido[4,5-b]quinoline Derivatives Catalyzed by Iodine in Aqueous Media

A convenient one-pot synthesis of benzo[f]pyrimido[4,5-b]quinoline derivatives is described via three-component reaction of benzaldehydes, naphthalen-2-amine, and barbituric acid at room temperature in aqueous media catalyzed by iodine. Compared with other methods, this three-component reaction used a green solvent, gave good yields, and was operationally simple.     

Efficient One-Pot Synthesis of β-Unsaturated Isoxazol-5-ones and Pyrazol-5-ones Under Ultrasonic Irradiation

4-Arylmethylidene-3-isopropylisoxazol-5-ones and 4-arylmethylidene-1-phenyl-3-isopropylpyrazol-5-ones have been prepared from the reactions of hydroxylamine and phenylhydrazine with methyl 4-methyl-3-oxovalerate and aromatic aldehydes in an aqueous medium at room temperature in the presence of pyridine under ultrasonic irradiation. The simple and facile method produced products in good yields.

Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications® to view the free supplemental file.     

宽离子能量检测范围垂直引入反射式飞行时间质谱仪的研制

本实验室研制了国内首台宽离子能量检测范围飞行时间质谱仪。仪器采用紧凑式电子轰击源设计,配合离子透镜系统有效的调制离子流,飞行时间质量分析器采用了离子垂直引入式,双场加速和双场反射以及大尺寸MCP检测装置设计。仪器单离子信号半峰宽约2 ns,仪器分辨率优于1600FWHM,检测实际样品质量范围为1~127 amu(仪器理论质量检测上限优于800 amu),可检测离子能量范围优于2个数量级(3~140 eV)。若该TOF质量分析器与短瞬高压脉冲放电离子源耦合联用,可广泛应用于高能离子束的快速检测,如真空阴极放电对制备薄膜、离子注入材料的表征,导电材料的离子电荷态分布以及离子扩散速度的测定等。     

Mechanistic Insights into Copper‐Catalyzed Sonogashira–Hagihara‐Type Cross‐Coupling Reactions: Sub‐Mol % Catalyst Loadings and Ligand Effects

An efficient catalytic system for Sonogashira–Hagihara‐type reactions displaying ligand acceleration in the copper‐catalyzed formation of C(sp²)? C(sp) bonds is described. The structure of the ligand plays a key role for the coupling efficiency. Various copper sources show excellent catalytic activity, even in sub‐mol % quantities. A wide variety of substituents is tolerated in the substrates. Mechanistic details have been revealed by kinetic measurements and DFT calculations.     

Acceleration of self‐consistent field convergence in ab initio molecular dynamics simulation with multiconfigurational wave function

The Lagrange interpolation of molecular orbital (LIMO) method, which reduces the number of self‐consistent field iterations in ab initio molecular dynamics simulations with the Hartree–Fock method and the Kohn–Sham density functional theories, is extended to the theory of multiconfigurational wave functions. We examine two types of treatments for the active orbitals that are partially occupied. The first treatment, as denoted by LIMO(C), is a simple application of the conventional LIMO method to the union of the inactive core and the active orbitals. The second, as denoted by LIMO(S), separately treats the inactive core and the active orbitals. Numerical tests to compare the two treatments clarify that LIMO(S) is superior to LIMO(C). Further applications of LIMO(S) to various systems demonstrate its effectiveness and robustness. © 2014 Wiley Periodicals, Inc.     

Reaction between alkyl isocyanides and isopropylidene Meldrum’s acid in the presence of bidentate nucleophiles

Summary The reaction between alkyl isocyanides and isopropylidene Meldrum’s acid in the presence of 1,2-ethanediol leads to N ¹-(alkyl)-2-(5,7-dioxo-1,4-dioxepane-6-yl)-2-methylpropanamides. 1,3-Propanediol or 1,4-butanediol produce hydroxyalkyl 1-(tert-butyl)-4,4-dimethyl-2,5-dioxo-3-pyrrolidinecarboxylates. When the reaction was performed in the presence of catechol, bis(2-hydroxyphenyl) 2-[2-(tert-butylamino)-1,1-dimethyl-2-oxoethyl]malonate was obtained. 2-Aminophenols react with alkyl isocyanides in the presence of isopropylidene Meldrum’s acid to produce 1-alkyl-N ³-(2-hydroxyaryl)-4,4-dimethyl-2,5-dioxo-3-pyrrolidinecarboxamides in good yields.     

镍催化α,β-不饱和醛的选择性α,β-双芳基化反应

三组分双官能化反应是一种高效、简便构建C―C键、C―X键的方式. 双键广泛存在于众多有机化合物中, 对双键的双官能化反应研究有巨大的应用潜力. 本工作以Ni(COD)₂为催化剂, 以芳基溴化镁、芳基溴化物为芳基化试剂, 实现了3-芳基-2-丙烯醛亚胺中碳碳双键的双芳基化反应. 该反应建立了一个新的镍催化α,β-不饱和醛的α,β-双芳基化方法, 可以高度区域选择性地向底物分子中引入两个不同取代的芳环, 得到多种2,3,3-三芳基丙醛骨架的产物. 利用这一反应作为核心步骤实现了天然产物Quebecol的简便合成. 机理研究表明, 该反应可能经历了亲核加成、金属交换、还原消除的历程.     

基于柔性碳纳米管压阻膜的无线加速度检测系统

通过对加速度检测的重大意义进行分析,得出了加速度检测仪的价值和意义,介绍了本系统的设计思路和应用前景。传感器采用了基于纳米技术的碳纳米管薄膜感应前端,拓宽了传感器设备的研发领域,同时应用无线传感技术,使系统进一步实用化。最后介绍了本系统的实验情况,以及具体应用的效果。     

多元方法研究单摆运动特性

根据霍尔效应原理,利用单片机技术实现了对单摆运动周期和重力加速度的实时测量,并使用photoshop,excel,matlab,tracker等软件对实验数据进行处理和分析。     

Research activities at the PALS research infrastructure

The Prague Asterix Laser System (PALS) Research Infrastructure (RI) in Prague, one of only four kJ-class laser facilities in EU, has been offering its beam time to European researchers for already 14 years, since 2004 in the framework of the LASERLAB-Europe consortium. Till June 2014, the PALS RI has provided 4313 experimental days for a total of 41 projects with 303 international users from 42 different research institutions. Its principal experimental facility is a terawatt sub-ns iodine laser (1315?nm) with an optional plasma-based zinc XUV laser (21.2?nm), and an auxiliary Ti:Sapphire fs laser (1?J, 70?fs) exploited for femtosecond plasma probing and experiments with synchronised femtosecond and sub-nanosecond laser pulses at mean laser intensities of up to 30?PW/cm². The lasers are equipped with several target facilities and rich sets of instruments for both active and passive plasma diagnostics. The PALS main research areas include development and applications of secondary laser sources of high-energy ions and both coherent and non-coherent high-intensity XUV radiation, laboratory astrophysical and inertial fusion-relevant studies. In this paper, the main results having been achieved at PALS in the framework of LASERLAB-EUROPE international access activities during the last four years are highlighted.