重频XeF蓝绿激光技术

 利用表面放电光泵浦技术,研制了重频XeF(C-A)激光器,运行频率达到10 Hz。研究了运行频率、气体流量对激光输出能量稳定性的影响,分析了影响输出稳定性的主要因素,实验结果表明,提高气流量可有效改善重频输出能量的稳定性。同时,还给出了优化实验条件下不同运行频率连续20个脉冲较为理想的输出结果。运行频率分别为1,2,5 Hz时,输出能量稳定性较好,输出能量大于4.0 J;气流量大于53 L/s时,10 Hz重频运行的输出稳定性已显著提高,平均输出能量也达到1.8 J。     

反应显微成像谱仪动量及能量分辨因素分析

在对反应显微成像谱仪的工作原理作简要介绍的基础上,全面分析了各种可能影响动量分辨的因素,并结合反应显微成像谱仪的技术参数分别对反冲离子动量分辨以及电子动量与能量分辨进行了详细计算和讨论,确定了反应显微成像谱仪的动量及能量分辨,并为进一步提高分辨提供了重要依据. 关键词： 动量分辨 能量分辨 反应显微成像谱仪 动量成像原理     

Substrate-controlled and highly stereoselective synthesis of 2-aminobut-2-ene-1, 4-diones

2-Methylthio-substituted 1,4-enediones, obtained from readily available aryl methyl ketones, were reacted with primary or secondary amines to afford the desired 1,4-diaryl-2-aminobut-2-ene-1,4-diones in excellent yields with high Z/E-stereoselectivity.     

Immobilized palladium on surface-modified Fe3O4/SiO2 nanoparticles: as a magnetically separable and stable recyclable high-performance catalyst for Suzuki and Heck cross-coupling reactions

A palladium-based catalyst (Fe₃O₄/SiO₂/HPG–OPPh₂–PNP) supported on chlorodiphenylphosphine-functionalized magnetic nanoparticles was successfully prepared from Fe₃O₄/SiO₂ with sequential attachment of glycerol and chlorodiphenylphosphine, followed by treatment of an ethanolic solution of palladium chloride with hydrazine. The as-prepared catalyst was characterized by ICP-AES, FTIR, XRD, SEM, and TEM. The Fe₃O₄/SiO₂/HPG–OPPh₂–PNP was found as a magnetically separable and highly active catalyst for Suzuki coupling reactions of aryl iodides, bromides, and chlorides as well as Heck reactions of aryl iodides and bromides. Under appropriate conditions, all reactions afforded the desired products in moderate to excellent yields. Moreover, this catalyst can be easily recovered by using a magnetic field and directly reused for at least six cycles without significant loss of its activity.     

Hydroindene-derived chiral synthons from carotol and their cytotoxicity

Ten enantiomerically pure hydroindene-derived compounds obtained by the transformation of (+)-carotol, the main constituent of carrot seed essential oil, were examined for their ability to inhibit the growth of myeloid leukaemia (HL-60) cancer cell lines. All compounds showed significant activity, which was comparable to the most active volatile organic compounds, such as trans–trans-farnesol, citral and nerolidol. Based on the bioactivity and molecular modelling, a 3D QSAR pharmacophore model was generated.     

(E)-2-Benzylidenebenzocyclanones: Part VII. Investigation of the conjugation reaction of two cytotoxic cyclic chalcone analogues with glutathione: an HPLC–MS study

Abstract  

The non-enzyme-catalyzed reaction of reduced glutathione (GSH) with two tumor cell cytotoxic cyclic chalcone analogues was investigated by reversed-phase high-performance liquid chromatography (RP-HPLC). HPLC analysis of the reaction mixtures indicated the formation of two diastereomeric chalcone–GSH adducts in each case, whose structural assignments were supported by MALDI-TOF-MS and HPLC–MS with electrospray ionization (ESI) measurements. Such reactivity accounts for the previously observed effect of the two cyclic chalcone analogues on the in vivo cellular thiol level of Jurkat T cells.     

X-ray CT in the detection of palm weevils

Early detection of the red palm weevils (RPW) is a major challenge in agriculture among all kinds of palm trees due to the nature of the insect and the difficulty to trace them through their life stages associated with the tree life. Many methods have been applied for the weevil detection such as X-ray diffraction techniques, fluoroscopy and ultrasound. On the other hand, the idea of tomography has been used for other purposes such as the determination of the age of the tree and for applied environmental studies. Such technology can also reveal the weevil in principle. In this study, we explore the use of X-ray CT for weevil detection with the Monte Carlo method. A model of the stem of a palm tree is developed for simulations. MCNPX is chosen to carry out the simulations for the radiography tally in the code. The tally records the 2D data of the X-ray beams irradiating the tree model. An iterative reconstruction method for cone beam CT is applied to obtain the 3D slices of the tree model. We are exploring the minimum number of projection angles and the detectability of the weevil. We shall also report the sensitivity of weevil detection using X-ray CT with a large set of simulations with different weevil sizes and tree diameters.     

A ruthenium(II) hydride carbonyl complex with 4-phenylpyrimidine as co-ligand

The reaction of [RuHCl(CO)(PPh₃)₃] with 4-phenylpyrimidine gave a new ruthenium(II) complex, namely [RuHCl(CO)(PPh₃)₂(pyrim-4-Ph)]. The complex has been studied by IR and UV?Cvis spectroscopy and by X-ray crystallography. The molecular orbitals of the complex have been calculated by density functional theory. The spin-allowed singlet?Csinglet electronic transitions of the complex have been calculated by time-dependent DFT, and the UV?Cvis spectrum of the compound has been discussed on this basis. The emission properties of the complex were also studied.     

Uncertainty quantification in a chemical system using error estimate-based mesh adaption

This paper describes a rigorous a posteriori error analysis for the stochastic solution of non-linear uncertain chemical models. The dual-based a posteriori stochastic error analysis extends the methodology developed in the deterministic finite elements context to stochastic discretization frameworks. It requires the resolution of two additional (dual) problems to yield the local error estimate. The stochastic error estimate can then be used to adapt the stochastic discretization. Different anisotropic refinement strategies are proposed, leading to a cost-efficient tool suitable for multi-dimensional problems of moderate stochastic dimension. The adaptive strategies allow both for refinement and coarsening of the stochastic discretization, as needed to satisfy a prescribed error tolerance. The adaptive strategies were successfully tested on a model for the hydrogen oxidation in supercritical conditions having 8 random parameters. The proposed methodologies are however general enough to be also applicable for a wide class of models such as uncertain fluid flows.