Yield enhancement of elliptical high harmonics driven by bicircular laser pulses

We theoretically investigate the yield enhancement of elliptical high harmonics in the interaction of molecules with bicircular laser pulses by solving the time-dependent Schrödinger equation. It is shown that by adjusting the relative intensity ratio of the two bicircular field components in specific ranges the yield of the molecular high harmonics for the plateau and cutoff regions can be respectively enhanced. To analyze this enhancement phenomenon, we calculate the weights of the electron classical trajectories. Additionally, we also study the ellipticity distribution of harmonics for different intensity ratios. We find that these enhanced harmonics are elliptically polarized, which we mainly attribute to the recombination dipole moment of the major weighted trajectories. These enhanced elliptical extreme ultraviolet and soft x-ray radiations may serve as essential tools for exploring the ultrafast dynamics in magnetic materials and chiral media.     

What is the form of muscimol from fly agaric mushroom (Amanita muscaria) in water? An insight from NMR experiment supported by molecular modeling

The biologically active alkaloid muscimol is present in fly agaric mushroom (Amanita muscaria), and its structure and action is related to human neurotransmitter _γ-aminobutyric acid (GABA). The current study reports on determination of muscimol form present in water solution using multinuclear ¹H and ¹³C nuclear magnetic resonance (NMR) experiments supported by density functional theory molecular modeling. The structures of three forms of free muscimol molecule both in the gas phase and in the presence of water solvent, modeled by polarized continuous model, and nuclear magnetic isotropic shieldings, the corresponding chemical shifts, and indirect spin–spin coupling constants were calculated. Several J-couplings observed in proton and carbon NMR spectra, not available before, are reported. The obtained experimental spectra, supported by theoretical calculations, favor the zwitterion form of muscimol in water. This structure differs from NH isomer, previously determined in dimethyl sulfoxide (DMSO) solution. In addition, positions of signals C3 and C5 are reversed in both solvents.     

ZnSe及ZnSe/GaAs异质结构中压力导致的直接禁带向间接禁带的转变

用经验赝势方法计算了体ZnSe以及ZnSe/GaAs单异质结系统中ZnSe外延层г、X、L等特殊对称点导带底能量随压力的变化。结果表明，同Si、Ge、GaAs等半导体材料不同，ZnSe的X点导带底具有正的压力系数，但比г点的压力系数小，这是ZnSe材料以及ZnSe基异质结构材料发生直接禁带向间接禁带的转变时所需转变压力较大的根本原因。研究了ZnSe/GaAs异质结构中晶格失配造成的应变对外延层г、X、L对称点压力系数的影响，表明这种晶格失配造成的应变可以极大地减小ZnSe外延层材料由直接禁带向间接禁带的转变压力。     

Indirect Oxidation of Organic Substances by Intermediates of the Oxygen Reduction

Results of two urgent and practically important directions of research on the indirect oxidation of organic compounds by highly reactive intermediates generated electrochemically from oxygen (HO₂ ^–, HO₂ ^·, HO^·) are considered and orderly arranged. The studies in question are the indirect synthesis and mineralization of organic toxicants in waste water.     

CuPc molecules adsorbed on Au(1 1 0)-(1 × 2): growth morphology and evolution of valence band states

We present the growth morphology, the long-range ordering, and the evolution of the valence band electronic states of ultrathin films of copper phthalocyanine (CuPc) deposited on the Au(1 1 0)-(1 × 2) reconstructed surface, as a function of the organic molecule coverage. The low energy electron diffraction patterns present a (5 × 3) reconstruction from the early adsorption stages. High-resolution UV photoelectron spectroscopy data show the disappearance of the Au surface states related to the (1 × 2) reconstruction, and the presence of new electronic features related to the molecule-substrate interaction and to the CuPc molecular states. The CuPc highest occupied molecular orbital gradually emerges in the valence band, while the interface electronic states are quenched, upon increasing the coverage.     

Trefftz,collocation, and other boundary methods—A comparison

In this article we survey the Trefftz method (TM), the collocation method (CM), and the collocation Trefftz method (CTM). We also review the coupling techniques for the interzonal conditions, which include the indirect Trefftz method, the original Trefftz method, the penalty plus hybrid Trefftz method, and the direct Trefftz method. Other boundary methods are also briefly described. Key issues in these algorithms, including the error analysis, are addressed. New numerical results are reported. Comparisons among TMs and other numerical methods are made. It is concluded that the CTM is the simplest algorithm and provides the most accurate solution with the best numerical stability. © 2006 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2007     

Optical design of a toroidal grating monochromator based beam line on Indus-1

In this paper, we discuss the detailed optical design of a beam line that is under construction on the synchrotron radiation source, Indus-1. Toroidal mirrors are used as pre-and post- focusing elements and a toroidal grating monochromator as a dispersing element. Using three interchangeable gratings, this monochromator will give, at a moderate resolution, a good throughput on the sample in the wavelength range 40 to 1000 Å. Effect of various parameters and their optimization on the resolution and throughput characteristics have been studied by ray tracing calculations, and presented.     

Eu^2＋：BaFCl光激励发光过程中紫外线的激发与漂白效应

通过改变紫外线的辐射照能量范围，研究了Ｅｕ＾２＋：ＢａＦＣｌ的光激励发光性质。发现紫外线能量大于Ｅｕ＾２＋的最低激发态能量及紫外线的能量小于Ｅｕ＾２＋最低激发态的能量两种情况下，光激励发光具有明显的差异，分析了产生差异的原因，给出了紫外线的辐照能量发生转时所对应的能级位置。     

Influence of the Presence of CO2 in the Feed of an Indirect Heating TSA Process for VOC Removal

This work deals with an experimental study of an indirect temperature swing adsorption process for VOC removal from air or for gas purification. A 1 m long and 70 mm diameter column with an internal heat exchanger has been filled with Ambersorb 600 carbonaceous adsorbent. This column is equipped with sensors to measure temperature at several points inside the bed, as well as the inlet and outlet gas concentration, pressure, temperature and mass flow. In a first step, CO₂ or ethane/dry nitrogen mixtures were used to simulate a single VOC in air, with different concentrations (350 ppm, 1% and 10%). As a first results very effective gas purification was obtained and an advantage of this process is the high pollutant concentration during the regeneration phase. Experiments were performed with various ethane/CO₂ mixtures. The influence of the presence of CO₂ on the ethane concentration breakthrough curves and on the ethane concentration during regeneration is reported. The IAS theory was used, as a first approach, to predict the adsorbed pollutants amount. Relatively good prediction is obtained with a maximum error in the order of 10%. An energy balance study is reported as well.     

紫外分光光度法测定甲砜霉素片的含量

根据甲砜霉素的紫外吸收特征,建立了以乙腈-水为溶媒、(225±1)nm为最大吸收波长的紫外分光光度法。方法的线性范围为0.5～25.0μg/mL,平均回收率为99.92％,RSD为0.30％。用对照品比较法测定5批甲砜霉素片的含量,并与中国药典方法的测定结果进行比对,结果表明,两种方法的测定结果基本一致。