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91.
Tianle Zhu Jiming Hao Lixin Fu Junhua Li Zhiming Liu 《Reaction Kinetics and Catalysis Letters》2005,84(1):61-67
Summary The cooperation effect of reducing species for selective reduction of NO over Ag/Al2O3 has been investigated in the presence of excess oxygen. When the combinations of propene or propane and ethanol or methanol were used as reducing agents, NO reduction took place over a wider temperature range, compared with a single hydrocarbon as reducing agent. 相似文献
92.
The large number of possible chemical reactions represents a severe burdenfor modeling of even relatively simple plasma systems. Reduced sets ofchemical reactions have been obtained for numerical simulations of nitrogenand nitrogen-hydrogen plasma jets flowing into an atmospheric airenvironment. The important or active reactions are determined based on asimplified reduction method. A reaction is considered active if it leadsto higher sensitivities than a specified cutoff sensitivity of 1%. Theactive reactions exert a significant influence on main plasma parameters,such as velocity, temperature, and species concentrations. The sensitivityanalysis for the specified systems shows that two NO reactions, known asZel'dovich reactions (N2+ONO+N andNO+OO2+N),(1) are both active in a nitrogenplasma jet. On the other hand, the latter is not active and may be omittedin a nitrogen–hydrogen plasma jet. A nitrogen–hydrogen plasmajet requires contribution of two active charge exchange reactions:N2+N+N+
2+N andN+H+N+ +H, while only the former is needed in a nitrogen plasmajet. The dissociation reactions are all active in both plasma jets, exceptthe dissociation of OH. 相似文献
93.
The formation and properties of the products of the radiation-induced chemical reduction of silver ions in aqueous solutions containing sodium polyacrylate were investigated. The absorption spectra of these species exhibit a band at 290 mn and a band in the visible region. The latter shifts from 470 nm to -800 nm with time or after the addition of silver ions. The species obtained (clusterites) arc linear silver clusters bound to the carboxyl groups of the ion exchanger. The red shift of the visible band is due to the increase in their size. The mechanism of the formation and the structure of the clusterites are discussed.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1429–1435, June, 1996. 相似文献
94.
Conversion of sulphur compounds in reduced, contaminated sediments that are brought in upland conditions may largely affect the potential mobility of heavy metal contaminants. We applied selected methods for the determination of total sulphur and sulphur fractions in a contaminated sediment in the reduced state and after gradual drying and oxidation during 1 month. Dry ashing, followed by ion chromatographic detection, was reliable for the determination of total sulphur. Good recoveries were obtained in both reference samples and spiked samples. Total sulphur was 14.5±0.6 g kg−1 relative to dry sediment. Wet chemical methods that involve the determination of acid-volatile, Zn–HCl-reducible, chromium-reducible, acetone-soluble and HI-reducible sulphur were used to estimate specific sulphur forms. Results for acetone-soluble sulphur were to high and not consistent with results for other fractions. Major part of sulphur in the sediment (90%) was inorganic. Sulphides were converted partially to sulphate and to intermediary oxidised sulphur compounds upon oxidation of the sediment. The results suggested that the intermediary oxidised sulphur pool in the reduced sediment (2.5 g kg−1) mainly consisted of pyrite, that was not converted during drying and oxidation. No significant changes in organic sulphur were detected. 相似文献
95.
Glukhareva T. V. Morzherin Yu. Yu. Dyudya L. V. Malysheva K. V. Tkachev A. V. Padva A. Bakulev V. A. 《Russian Chemical Bulletin》2004,53(6):1311-1317
A method for the synthesis of previously inaccessible 5-dialkylamino-substituted 1,2,3-thiadiazole-4-carbaldehydes was developed. Ring transformation in these compounds induced by primary aliphatic and aromatic amines, hydroxylamines, and N-substituted hydrazines resulted in the synthesis of a broad range of 1,2,3-triazole-4-carbothioamide. 相似文献
96.
Paul Watson Peter Willett Valerie J. Gillet Marcel L. Verdonk 《Journal of computer-aided molecular design》2001,15(9):835-857
A knowledge-based method for calculating the similarity of functional groups is described and validated. The method is based on experimental information derived from small molecule crystal structures. These data are used in the form of scatterplots that show the likelihood of a non-bonded interaction being formed between functional group A (the `central group') and functional group B (the `contact group' or `probe'). The scatterplots are converted into three-dimensional maps that show the propensity of the probe at different positions around the central group. Here we describe how to calculate the similarity of a pair of central groups based on these maps. The similarity method is validated using bioisosteric functional group pairs identified in the Bioster database and Relibase. The Bioster database is a critical compilation of thousands of bioisosteric molecule pairs, including drugs, enzyme inhibitors and agrochemicals. Relibase is an object-oriented database containing structural data about protein-ligand interactions. The distributions of the similarities of the bioisosteric functional group pairs are compared with similarities for all the possible pairs in IsoStar, and are found to be significantly different. Enrichment factors are also calculated showing the similarity method is statistically significantly better than random in predicting bioisosteric functional group pairs. 相似文献
97.
The kinetics of electroreduction of Pd(II) complexes with -alanine, Pd(ala)2, is studied on a rotating Pd disk electrode in solutions of pH 8–13 containing large excess of -alanine and various supporting electrolytes (NaF, Na2SO4, NaClO4). On a Pd electrode, complexes Pd(ala)2 undergo reduction at potentials much more negative than on an Hg electrode. This is attributed to the chemisorption of water on the Pd electrode, which hampers adsorption of Pd(ala)2 that take part in the slow electrochemical stage. As with the Hg electrode, perchlorate ions hinder the Pd(ala)2 reduction on a Pd electrode. Studying adsorption of Pd(ala)2 on a Pd electrode is hampered by parallel processes of hydrogen adsorption and absorption. 相似文献
98.
在358K下用200ml/min的空气氧化碱性悬浮液合成了MFe_2O_(4+δ)(δ≥0,M=Fe、Co、Ni、Mn),并在573K下用40ml/min的H_2还原MFe_2O_(4+δ)制备了氧缺位铁酸盐MFe_2O_(4-δ)(δ>0)。用XRD、Mssbauer谱等测试方法对铁酸盐的结构进行了表征,考察了铁酸盐的组成及第二金属组分(Co、Ni、Mn)对铁酸盐还原性能的影响。在H_2还原3h内,铁酸盐氧缺位程度随还原时间增加而增大,晶格常数也相应增大;5h以上,铁酸盐将被还原为MO-FeO或α-Fe,晶格常数几乎不变。按Fe、Co、Ni、Mn顺序,MO与FeO的相互作用能力、MO-FeO固溶体的稳定性及铁酸盐还原为MO-FeO的能力均增强,MO-FeO进一步还原为α-Fe的能力却减弱。 相似文献
99.
Fedushkin I. L. Nevodchikov V. I. Bochkarev M. N. Dechert S. Schumann H. 《Russian Chemical Bulletin》2003,52(1):154-159
Reduction of 2,5-di-tert-butylcyclopentadienone with two equivalents of thulium diiodide in tetrahydrofuran afforded the binuclear thulium(iii) complex with the cyclopentadienyl oxide ligand, viz., TmI2(THF)2[5-But
2C5H2O]TmI2(THF)3 (1). Shielding of the carbonyl carbon atom with two tert-butyl substituents prevents pinacolization of the ketyl radical anions that formed upon one-electron reduction of cyclopentadienone. The reaction of thulium diiodide with an excess of pyridine in tetrahydrofuran gave a product of reductive coupling of two pyridine radical anions, viz., [TmI2(C5H5N)4]2(2-N2C10H10) (2). The structures of complexes 1 and 2 were established by single-crystal X-ray diffraction analysis. 相似文献
100.
LI Chun-Bao Chen Yi LI Song-Lin ZHANG Wen-Qin CUI Yi JI Xiu-Jie ZHENG Peng-Wu 《结构化学》2002,21(5):470-472
1 INTRODUCTION (9S,13R,14S)-7,8-Didehydro-3,7-dimethoxy-4-hydroxy-17-methylmorphinan-6-one I is an impor- tant natural product that was used to ease pain, decrease blood pressure and diminish inflammation. In order to study the stereochemistry of the reduction of I with potassium boronhydride, the crystal structure of the title compound II was determined by X-ray diffraction method. 2 EXPERIMENTAL 2. 1 Instrument The melting point was measured on a Yanagimoto MP-500 apparatus… 相似文献