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101.
添加剂铜和银离子对MnO2催化燃烧CH4的影响 总被引:2,自引:1,他引:2
催化燃烧法,由于起燃温度低、去除率高、适用氧浓度范围大、无二次污染、燃烧缓和等,是国内外治理有机废气时,回收利用能量最有效的方法之一[1].但目前用于该过程的催化剂中均含有来源有限、价格昂贵的贵金属铂或钯[2].因此,寻找来源丰富、价格低廉、性能相当... 相似文献
102.
固体氧化物电解池是一种高效、环境友好型的能量转换器件,可以直接将电能转化为化学能. 本文介绍了近年来作者课题组在固体氧化物电解池直接用于CO2还原的研究进展,并以阴极材料为主着重讨论了金属陶瓷电极和混合导电型钙钛矿氧化物电极的研究工作,最后展望了未来固体氧化物电解池直接电解CO2的研究思路和方向. 相似文献
103.
Mordvintsev DY Polyak YL Levtsova OV Tourleigh YV Kasheverov IE Shaitan KV Utkin YN Tsetlin VI 《Computational Biology and Chemistry》2005,29(6):398-411
Short-chain alpha-neurotoxins from snakes are highly selective antagonists of the muscle-type nicotinic acetylcholine receptors (nAChR). Although their spatial structures are known and abundant information on topology of binding to nAChR is obtained by labeling and mutagenesis studies, the accurate structure of the complex is not yet known. Here, we present a model for a short alpha-neurotoxin, neurotoxin II from Naja oxiana (NTII), bound to Torpedo californica nAChR. It was built by comparative modeling, docking and molecular dynamics using 1H NMR structure of NTII, cross-linking and mutagenesis data, cryoelectron microscopy structure of Torpedo marmorata nAChR [Unwin, N., 2005. Refined structure of the nicotinic acetylcholine receptor at 4A resolution. J. Mol. Biol. 346, 967-989] and X-ray structures of acetylcholine-binding protein (AChBP) with agonists [Celie, P.H., van Rossum-Fikkert, S.E., van Dijk, W.J., Brejc, K., Smit, A.B., Sixma, T.K., 2004. Nicotine and carbamylcholine binding to nicotinic acetylcholine receptors as studied in AChBP crystal structures. Neuron 41 (6), 907-914] and antagonists: alpha-cobratoxin, a long-chain alpha-neurotoxin [Bourne, Y., Talley, T.T., Hansen, S.B., Taylor, P., Marchot, P., 2005. Crystal structure of Cbtx-AChBP complex reveals essential interactions between snake alpha-neurotoxins and nicotinic receptors. EMBO J. 24 (8), 1512-1522] and alpha-conotoxin [Celie, P.H., Kasheverov, I.E., Mordvintsev, D.Y., Hogg, R.C., van Nierop, P., van Elk, R., van Rossum-Fikkert, S.E., Zhmak, M.N., Bertrand, D., Tsetlin, V., Sixma, T.K., Smit, A.B., 2005. Crystal structure of nicotinic acetylcholine receptor homolog AChBP in complex with an alpha-conotoxin PnIA variant. Nat. Struct. Mol. Biol. 12 (7), 582-588]. In complex with the receptor, NTII was located at about 30 A from the membrane surface, the tip of its loop II plunges into the ligand-binding pocket between the alpha/gamma or alpha/delta nAChR subunits, while the loops I and III contact nAChR by their tips only in a 'surface-touch' manner. The toxin structure undergoes some changes during the final complex formation (for 1.45 rmsd in 15-25 ps according to AMBER'99 molecular dynamics simulation), which correlates with NMR data. The data on the mobility and accessibility of spin- and fluorescence labels in free and bound NTII were used in MD simulations. The binding process is dependent on spontaneous outward movement of the C-loop earlier found in the AChBP complexes with alpha-cobratoxin and alpha-conotoxin. Among common features in binding of short- and long alpha-neurotoxins is the rearrangement of aromatic residues in the binding pocket not observed for alpha-conotoxin binding. Being in general very similar, the binding modes of short- and long alpha-neurotoxins differ in the ways of loop II entry into nAChR. 相似文献
104.
The temperature dependence of the paramagnetic susceptibility χm(T) taken in 2500 Oe, the resistivity ρ(T), and the thermoelectric power α(T) of DyBaCo2O5+x, which has Ba and Dy ordered into alternate (001) planes of an oxygen-deficient perovskite, have revealed a phase segregation in the compositional range 0.3?x<0.5. Orthorhombic DyBaCo2O5.51 has, in addition, oxygen vacancies ordered into alternate rows of the DyO0.51 (001) planes; a cold-pressed polycrystalline sample exhibits a first-order insulator-metal transition at TIM=320 K, a Curie temperature TC=300 K, and a broadened metamagnetic transition temperature TM≈265 K in 2500 Oe. A ferromagnetic M-H hysteresis curve fails to saturate at 5 T, and a minority ferromagnetic phase below TM has a volume fraction that decreases with decreasing temperature, vanishing below 50 K. Oxygen vacancies in the DyBaCo2O5.5 phase suppress the metallic state; interstitial oxygen does not. A thermoelectric power α(T)>0 of DyBaCo2O5.51 changing continuously across TIM is interpreted to manifest a metallic minority phase crossing a percolation threshold; α(T) also provides evidence for a progressive excitation of higher-spin Co(III) with increasing temperature from below 50 K to above TIM. A previous model of the RBaCo2O5.5 phase is extended to account for the Ising spin configuration below TC, the magnetic order in the presence of higher-spin octahedral-site Co(III), and the α(T) data. 相似文献
105.
106.
The ultrasonic degradation of novel propylene based plastomer (DP) melts with different melt viscosities was conducted in a “static” ultrasonic device where the samples were taken from various distances from the tip of an ultrasonic probe. The effects of ultrasonic time, oscillation temperature, ultrasonic intensity and the distance from the ultrasonic probe tip on the degradation behavior of DP melts as well as the ultrasonic degradation effect on the linear rheological behavior of DP melts were studied. The results show that the increase of initial melt viscosity of DP (higher molecular weight) has greater impact on the ultrasonic degradation of DP melt. The molecular weight and intrinsic viscosity of DP decrease with the increase of ultrasonic oscillation time and they approach to a limiting value. The molecular weight distribution of DP increases after ultrasonic degradation. Decreasing oscillation temperature and distance from probe tip and increasing ultrasonic intensity lead to an increase in the degradation of DP melt. The linear rheological behavior measurements of the samples obtained near the ultrasonic probe tip show that ultrasonic oscillations decrease the complex viscosity, zero shear viscosity, viscoelastic moduli, cross modulus, relaxation time and the slope of log G′ − log G″ for DP melts. 相似文献
107.
108.
酚醛基活性炭纤维孔结构及其电化学性能研究 总被引:8,自引:0,他引:8
利用水蒸汽活化法制备了酚醛基活性炭纤维(ACF-H2O), 对其比表面积、孔结构与在LiClO4/PC(聚碳酸丙烯酯)有机电解液中的电容性能之间的关系进行了探讨. 用N2(77 K)吸附法测定活性炭纤维的孔结构和比表面积, 用恒流充放电法和交流阻抗技术测量双电层电容器(EDLC)的电容量及内部阻抗. 研究表明, 在LiClO4/PC有机电解液中, ACF-H2O电极的可用孔径(d)应在0.7 nm以上. 随着活化时间的延长, ACF-H2O的孔容和比表面不断增大, 但微孔(0.7 nm < d < 2.0 nm)和中孔(d > 2.0 nm)率变化很小, 活化过程中孔的延伸和拓宽同步进行, 但过度活化则造成孔壁塌陷, 孔容和比表面迅速下降. 因此, 除活化过度的样品外, 电容量随比表面积呈线性增长, 最高达到109. 6 F•g-1. 但中孔和微孔的孔表面对电容的贡献不同, 其单位面积电容分别为8.44 μF•cm-2和4.29 μF•cm-2, 中孔具有更高的表面利用率. ACF-H2O电极的电容量、阻抗特性和孔结构密切相关. 随着孔径的增大, 时间常数减小, 电解液离子更易于向孔内快速迁移, 阻抗降低, 电极具有更好的充放电倍率特性. 因此, 提高孔径和比表面积, 减少超微孔(d < 0.7 nm), 是提高 EDLC能量密度和功率密度的重要途径. 然而仅采用水蒸汽活化, 只能在小中孔以下的孔径范围内进行调孔, ACF-H2O电极电容性能的提高受限. 相似文献
109.
Igor Presniakov Alexei Baranov Alexei Sobolev Viyacheslav Rusakov 《Journal of solid state chemistry》2007,180(11):3253-3261
For the first time a comparative study of rhombohedral LaNiO3 and LaCuO3 oxides, using 57Fe Mössbauer probe spectroscopy (1% atomic rate), has been carried out. In spite of the fact that both oxides are characterized by similar crystal structure and metallic properties, the behavior of 57Fe probe atoms in such lattices appears essentially different. In the case of LaNi0.99Fe0.01O3, the observed isomer shift (δ) value corresponds to Fe3+ (3d5) cations in high-spin state located in an oxygen octahedral surrounding. In contrast, for the LaCu0.99Fe0.01O3, the obtained δ value is comparable to that characterizing the formally tetravalent high-spin Fe4+(3d4) cations in octahedral coordination within Fe(IV) perovskite-like ferrates. To explain such a difference, an approach based on the qualitative energy diagrams analysis and the calculations within the cluster configuration interaction method have been developed. It was shown that in the case of LaNi0.99Fe0.01O3, electronic state of nickel is dominated by the d7 configuration corresponding to the formal ionic “Ni3+-O2−” state. On the other hand, in the case of LaCu0.99Fe0.01O3 a large amount of charge is transferred via Cu-O bonds from the O:2p bands to the Cu:3d orbitals and the ground state is dominated by the d9L configuration (“Cu2+−O” state). The dominant d9L ground state for the (CuO6) sublattice induces in the environment of the 57Fe probe cations a charge transfer Fe3++O−(L)→Fe4++O2−, which transforms “Fe3+” into “Fe4+” state. The analysis of the isomer shift value for the formally “Fe4+” ions in perovskite-like oxides clearly proved a drastic influence of the 4s iron orbitals population on the Fe−O bonds character. 相似文献
110.