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.     

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     

一类混沌系统的自适应模糊控制器设计

通过混沌系统的形式的抽象，提出了一种间接自适应模糊控制方法来控制一类具有未知非线性函数的混沌系统跟踪一参考轨迹．     

最小二乘解存在的充分必要条件

本文提出了当观测值的权矩阵为正定或半正定的前提下，其最小二乘解存在的充分必要条件为并以间接平差为例验证了该结论的正确性。     

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.     

精制煤液化中油加氢裂化制取喷气燃料的研究

在实验室固定床反应装置上,选用Mo-Ni-P/Si-Al工业催化剂,对精煤液化中油进行了加氢裂化制取喷气燃料的实验。考察了反应温度、空速对芳烃加氢转化及产品馏分分布的影响。通过加氢裂化,降低了油品芳烃含量,提高了喷气燃料馏分的收率。在总压为15MPa,反应温度为350—360℃,空速为0.8—1.0h~(-1)条件下,获得了芳烃含量低于10w%的低结晶点的优质喷气燃料产品。并对煤液化中油制取的喷气燃料的组成和性质进行了分析和评价。     

不同形态阴离子的高效毛细管电泳的间接紫外检测

本文研究了用毛细管电泳紫外间接检测法对几种阴离子不同形态进行分析。