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21.
Tatiana Kuznetsova Vladislav Sadykov Lubsan Batuev Ella Moroz Elena Burgina Vladimir Rogov Vladimir Kriventsov Dmitrii Kochubey 《天然气化学杂志》2006,15(3):149-163
For dispersed ceria-zirconia-based solid solutions prepared via the polymerized complex method and annealed at 700℃, effects of bulk doping by Ca, Mn, Co, Bi or Nb cations and surface modification by Mn and Pt on their structural features, surface/bulk oxygen reactivity and catalytic activity in methane combustion are considered. With up to 20 mol% doping, a structural type of homogeneous solid solutions of anion-deficient fluorite with disordered anion vacancies is formed. Doping by transition metal cations or Pt increases the mobility and reactivity of the surface/bulk oxygen. A broad variation in specific rates of methane combustion for the studied systems was observed, suggesting structural sensitivity of this reaction. In general, there is no universal relationship between the oxygen mobility, the reactivity and the catalytic activity in methane combustion, which is explained by the factor of specific methane activation on surface active sites. For the Pt-promoted samples, Pt efficiency in methane activation depends on the Pt-support interaction, and the most favorable ones being mixed Pt/MnOx and Pt/NbOx clusters on the surface of the supports that exhibit high lattice oxygen mobilities. 相似文献
22.
Summary A computer procedure TFIT, which uses a molecular superposition force field to flexibly match test compounds to a 3D pharmacophore, was evaluated to find out whether it could reliably predict the bioactive conformations of flexible ligands. The program superposition force field optimizes the overlap of those atoms of the test ligand and template that are of similar chemical type, by applying an attractive force between atoms of the test ligand and template which are close together and of similar type (hydrogen bonding, charge, hydrophobicity). A procedure involving Monte Carlo torsion perturbations, followed by torsional energy minimization, is used to find conformations of the test ligand which cominimize the internal energy of the ligand and the superposition energy of ligand and template. The procedure was tested by applying it to a series of flexible ligands for which the bioactive conformation was known experimentally. The 15 molecules tested were inhibitors of thermolysin, HIV-1 protease or endothiapepsin for which X-ray structures of the bioactive conformation were available. For each enzyme, one of the molecules served as a template and the others, after being conformationally randomized, were fitted. The fitted conformation was then compared to the known binding geometry. The matching procedure was successful in predicting the bioactive conformations of many of the structures tested. Significant deviation from experimental results was found only for parts of molecules where it was readily apparent that the template did not contain sufficient information to accurately determine the bioactive conformation. 相似文献
23.
This paper addresses the problem of stabilizing an uncertain linear system. The uncertaintyq(·) which enters the dynamics is nonstistical in nature. That is, noa priori statistics forq(·) are assumed; only boundsQ on the admissible variations ofq(·) are taken as given. The results given here applied to so-called matched systems differ from previous results in two ways. Firstly, the stabilizing control in this paper is linear; for this same class of problems, many of the existing results would require a nonlinear control. Furthermore, those results which do in fact yield linear controls are only valid when a certain matrix (q) (formed using the given data) is negative definite for allq Q. In contrast, the theory given here only requires compactness of the bounding setQ. Secondly, we show that the so-called matching conditions (used in earlier work) can be generalized so as to encompass a larger class of dynamical systems.This research was supported by the US Department of Energy under Contract No. ET-78-S-01-3390. 相似文献
24.
CHEN Wen-Tong GUO Guo-Cong ZENG Xi-Rui LI Xin-Fa FANG Xiao-Niu KUANG Han-Mao LIU Dong-Sheng LIU Li-Min 《结构化学》2007,26(10)
The title compound (4,4'-H2bipy)[CdBr4]·H2O 1 has been synthesized via hydrothermal reaction and characterized by X-ray diffraction. The crystal belongs to monoelinic,space group P21/c with a=8.260(3), b=23.926(7), c=9.774(2) (A), β=106.777(9)°,C10H12Br4CdN2O, Mr=608.26, V=1849.4(9)(A)3, Z=4, Dc=2.185 g/cm3, S=1.005, μ(MoKα)=9.814 mm-1, F(000)=1128, R=0.0646 and wR=0.0989. The crystal structure analysis of 1reveals that the title compound features an isolated structure, based on discrete 4,4'-H2bipy moieties and lattice water molecules which are linked by hydrogen bonds together with tetrahedral cadmium atoms terminally coordinated by four bromine atoms. 相似文献
25.
云南省位于多个地块交界处,构造活动活跃且地震活动频发。利用中国静止气象卫星风云二号系列相当黑体温度TBB数据,应用小波变换和相对傅氏功率谱的时频相对功率谱方法(T-F RPS),提取并分析了云南省2008年至今发生的5.5级以上地震热红外异常信息,且对比分析了特征周期、特征幅值、异常形态、异常演化过程等参数。结果表明:(1)该系列地震热红外异常信息易于用时频相对功率谱方法(T-F RPS)提取识别,且异常特征具有"出现-扩大-减小-消失"的规律;(2)异常特征周期和持续时间也具有一定的规律性;(3)异常沿着断层延展,震中位于异常边缘一侧或者异常区域交汇地带,发震时刻多位于相对功率谱幅值下降阶段;(4)震级与相对功率谱峰值有一定的相关性,震级高,峰值也较高;(5)地震类型与异常面积有一定的相关性,双震型地震异常面积较大。此外,讨论了地震热红外异常与构造活动、气候状况、天气情况和季节等因素的关系。 相似文献
26.
A substituted polyacetylene bearing a furan ring, poly(2-propynyl 2-furoate) (PPF), was synthesized for the first time with palladium acetylide complex catalysts in CHCl3 at 60℃ to give a soluble and stable polymer with a yield of ca.75%. Some features for polymerization of 2-propynyl 2-furoate are described and discussed. The resulting polymer was characterized by IR, GPC and ^1H-NMR analysis. 相似文献
27.
在双方市场中定义的博弈概念,可以使市场同方参与者的收益同时达到最大.这种最优化存在的理论依据是选择匹配的稳定性.用博弈论的分析与证明方法研宄多对一双方匹配市场中的最优化.在替代偏好和LAD(Law of Aggregate Demend)偏好下,证明由企业作选择的选择函数一定是个稳定匹配,由工人做选择的选择函数也是一个稳定匹配. 相似文献
28.
《Discrete Mathematics》2023,346(4):113304
In 1965 Erd?s asked, what is the largest size of a family of k-element subsets of an n-element set that does not contain a matching of size ? In this note, we improve upon a recent result of Frankl and resolve this problem for and . 相似文献
29.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(2):68-71
The features of porphyrins defining their functionality are related to their conformational flexibility. The degree of nonplanarity of metalloporphyrins depends directly on the number of substituents, their size and their location. The introduction of substituents in the meso positions of β‐substituted porphyrins increases the steric interaction and leads to distortions of the porphyrin core. Increasing the distortion of the porphyrin core would augment the bathochromic (red) shift of the electronic absorption spectra. A new nonsymmetrical 2,3,7,8,12,13,17,18‐octaethyl‐5‐[(methylimino)methyl]porphyrin complex of palladium(II), [Pd(C38H47N5)], was synthesized and characterized by NMR, mass spectrometry and X‐ray analysis. The features of the electronic absorption spectrum of the synthesized complex are explained by the planarity of the porphyrin core and the π‐system of the imino group orthogonal to it. 相似文献
30.
鉴于当前学生化学意志素质缺乏的问题,探讨以认知、情绪唤醒、情感、意志为主控目标,在预习、尝试学习、交错搭配合作学习中,开展CAFP教学研究,以促成情意因素对认知的调动、动力、强化等功能。 相似文献