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31.
Geometries and electronic structures of W4 and W clusters were studied by use of density functional methods B3LYP, B3P86, B3PW91, BHLYP, BLYP, and MPW1PW91. The calculated results indicate that the three‐dimensional structure of singlet state with either D2d symmetry (B3LYP, B3P86, B3PW91, BLYP, and MPW1PW91) or C2v symmetry (BHLYP) is the ground state for the W4 cluster. For the W cluster, the doublet state is preferred, and the most stable structure is also 3D with either D2d symmetry (B3LYP, B3PW91, BHLYP, BLYP) or C2v symmetry (B3P86 and MPW1PW91). The calculated electron affinity at B3P86 gives the best performance compared with experiment. For the dissociation channel, W + W3 is suggested to be the possible route for the W4 cluster. For the W cluster, W + W is the most likely route for dissociation, in agreement with experiment. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005 相似文献
32.
Simultaneous determination of carbohydrates and organic acids in beer and wine by ion chromatography 总被引:3,自引:0,他引:3
The simultaneous determination of mono-organic acids and carbohydrates by ion chromatography with both conductometric and pulsed amperometric detection is described. The carbohydrates, such as mannitol, arabinose, glucose, fructose, lactose, sucrose, raffinose, and maltose, as well as monoorganic acids including acetate, glycolate, formate, pyruvate, and fluoride are separated as anions by ion-exchange chromatography with 0.080 mol/L sodium hydroxide eluent at 1 mL/min within 12 min. Carbohydrates are determined by pulsed amperometric detection and mono-organic acids are determined by suppressed conductivity detection. The species in beverages are determined. 相似文献
33.
Wang XB Niu S Yang X Ibrahim SK Pickett CJ Ichiye T Wang LS 《Journal of the American Chemical Society》2003,125(46):14072-14081
The cubane [4Fe-4S] is the most common multinuclear metal center in nature for electron transfer and storage. Using electrospray, we produced a series of gaseous doubly charged cubane-type complexes, [Fe4S4L4]2- (L = -SC2H5, -SH, -Cl, -Br, -I) and the Se-analogues [Fe4Se4L4]2- (L = -SC2H5, -Cl), and probed their electronic structures with photoelectron spectroscopy and density functional calculations. The photoelectron spectral features are similar among all the seven species investigated, revealing a weak threshold feature due to the minority spins on the Fe centers and confirming the low-spin two-layer model for the [4Fe-4S](2+) core and its "inverted level scheme". The measured adiabatic detachment energies, which are sensitive to the terminal ligand substitution, provide the intrinsic oxidation potentials of the [Fe4S4L4]2- complexes. The calculations revealed a simple correlation between the electron donor property of the terminal thiolate as well as the bridging sulfide with the variation of the intrinsic redox potentials. Our data provide intrinsic electronic structure information of the [4Fe-4S] cluster and the molecular basis for understanding the protein and solvent effects on the redox properties of the [4Fe-4S] active sites. 相似文献
34.
Cellulose synthesis in maize: isolation and expression analysis of the cellulose synthase (CesA) gene family 总被引:7,自引:0,他引:7
Laura Appenzeller Monika Doblin Roberto Barreiro Haiyin Wang Xiaomu Niu Krishna Kollipara Lori Carrigan Dwight Tomes Mike Chapman Kanwarpal S. Dhugga 《Cellulose (London, England)》2004,11(3-4):287-299
Stalk lodging in maize results in significant yield losses. We have determined that cellulose per unit length of the stalk is the primary determinant of internodal strength. An increase in cellulose concentration in the wall might allow simultaneous improvements in stalk strength and harvest index. Cellulose formation in plants can be perturbed by mutations in the genes involved in cellulose synthesis, post-synthetic cellulose alteration or deposition, N-glycosylation, and some other genes with as yet unknown functions. We have isolated 12 members of the cellulose synthase (CesA) gene family from maize. The genes involved in primary wall formation appear to have duplicated relatively independently in dicots and monocots. The deduced amino acid sequences of three of the maize genes, ZmCesA10–12, cluster with the Arabidopsis CesA sequences that have been shown to be involved in secondary wall formation. Based on their expression patterns across multiple tissues, these three genes appear to be coordinately expressed. The remaining genes show overlapping expression to varying degrees with ZmCesA1, 7, and 8 forming one group, ZmCesA3 and 5 a second group, and ZmCesA2 and 6 exhibiting independent expression of any other gene. This suggests that the varying levels of coexpression may just be incidental except in the case of ZmCesA10–12, which may interact with each other to form a functional enzyme complex. Isolation of the expressed CesA genes from maize and their association with primary or secondary wall formation has made it possible to test their respective roles in cellulose synthesis through mutational genetics or transgenic approaches. This information would be useful in improving stalk strength. 相似文献
35.
Scientific research training is an essential part of undergraduate learning, which plays an important role in improving students' knowledge utilization and scientific literacy. Taking the participation process of "Energy conservation and emission reduction competition" as an example, this paper briefly introduces the undergraduate scientific research training of students majoring in polymer materials and engineering from their own perspective, and the way to combine the discipline and school characteristics to reflect the thinking of engineering students in scientific research and practical application. 相似文献
36.
多相催化反应原位红外系统及其应用 总被引:1,自引:0,他引:1
设计和建立了一套能耐高温的用于多相催化反应研究的原位红外系统,反应温度从室温到1150K,系统真空为1.0*10^5-1.0-10^-4Pa,红外光谱检测范围为4800-200cm^-1。此系统扩展了原仪器的功能,提高了仪器利用率和效率。 相似文献
37.
Three novel perylene polyimides (PPIs) containing p‐n diblock units were designed and synthesized for use in dye‐sensitized mesoporous TiO2 solar cells. They all dissolve in m‐cresol and N‐methyl‐2‐pyrrolidone (NMP). Their visible light absorption, electrochemical and photoelectrochemical properties were systematically studied. The polyimides have band gap energies of 2.16, 2.19 and 2.25 eV deduced from ultraviolet–visible absorption spectra, and electron affinity (Ea) and ionization potential (IP) of ?3.93 and 6.10 eV for PPI1, ?3.94 and 6.13 eV for PPI2, ?3.93 and 6.59 eV for PPI3, respectively, deduced from cyclic voltammogram. Experimental data show that introduction of 4,4′‐bisaminetriphenylamine cannot only greatly enhance optic‐electro conversion efficiency, but also enhance the dissolubility which in favorable for making the devices. The relationship of structure and properties of PPI is discussed and the mechanism of photocurrent generation is explained. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
38.
We investigate a diffusive, stage-structured epidemic model with the maturation delay and freelymoving delay. Choosing delays and diffusive rates as bifurcation parameters, the only possible way to destabilize the endemic equilibrium is through Hopf bifurcation. The normal forms of Hopf bifurcations on the center manifold are calculated, and explicit formulae determining the criticality of bifurcations are derived. There are two different kinds of stable oscillations near the first bifurcation: ... 相似文献
39.
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