A well‐balanced upstream flux‐splitting finite‐volume scheme for shallow‐water flow simulations with irregular bed topography

This study extends the upstream flux‐splitting finite‐volume (UFF) scheme to shallow water equations with source terms. Coupling the hydrostatic reconstruction method (HRM) with the UFF scheme achieves a resultant numerical scheme that adequately balances flux gradients and source terms. The proposed scheme is validated in three benchmark problems and applied to flood flows in the natural/irregular river with bridge pier obstructions. The results of the simulations are in satisfactory agreement with the available analytical solutions, experimental data and field measurements. Comparisons of the present results with those obtained by the surface gradient method (SGM) demonstrate the superior stability and higher accuracy of the HRM. The stability test results also show that the HRM requires less CPU time (up to 60%) than the SGM. The proposed well‐balanced UFF scheme is accurate, stable and efficient to solve flow problems involving irregular bed topography. Copyright © 2009 John Wiley & Sons, Ltd.     

Molecular symmetry and exciton interaction in photosynthetic primary events

In this paper, the molecular details of the recently proposed energy upconversion theory of photosynthesis are reviewed. The primary light reactions are explained in terms of aC ₂ symmetrical structure of the reaction center involving a (Chl?H₂O)₂ adduct. It is shown that exciton interaction within the (Chl?H₂O)₂ complex leads to an antisymmetric triplet state which may act as an energy trap. The presence of the energy trap in the reaction center suggests that the trigger step for the photoionization of active chlorophylls may involve the summation of two red excitation photons. Under normal conditions, the steadystate one-photon-per-electron quantum requirement is obtained. The functional properties of the various molecular constituents of the Chl-a molecule, such as the Ring V β-ketoester group, the phytyl tail, the central Mg atom, and the π-system of the macrocycle are explained within the present theoretical framework. A detailed analysis is given of the postulates and the consequences of the proposed model. The ramifications of the theory are probed, and their biological consequences are suggested for future study.     

Electronic and optical properties of SbSBr,SbSI and SbSeI

Band structures of SbSBr and SbSeI have been obtained by using the empirical pseudopotential method (EPM) to fit our measured optical reflectivity data and earlier gap measurements. An SbSI band structure has been determined by fitting to earlier reflectivity and Raman spectroscopic data, and the results agree better with the data than do the results of an earlier preliminary EPM calculation. Secondary conduction band minima may in part be responsible for the observed microwave oscillation (Gunn effect) in SbSI. Similar minima in SbSBr and SbSeI are reported, suggesting these crystals might also show microwave properties. The total densities of states are presented.     

Effect of a radial temperature gradient on the stability of the flow of a second-order fluid between two co-axial cylinders

Summary It has been found that the effect of a radial temperature gradient on the Taylor stability problem for a viscoelastic fluid and for a Newtonian fluid is the same.

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Résumé On montre que l'effet d'un gradient de la température radial sur le problème de stabilité de Taylor pour un fluide viscoélastique est semblable à celui d'un fluide Newtonien.

     

A concise total synthesis of (+)-okaramine C

The first total synthesis of (+)-okaramine C is described. Our previously described selenocyclisation-oxidative deselenation sequence was used to establish a 3a-hydroxy-pyrrolo[2,3-b]indole core, which was modified by selective epimerisation to the common pyrrolo[2,3-b]indole of the okaramines.     

New strategies for exploring RNA's 2'-OH expose the importance of solvent during group II intron catalysis

The 2'-hydroxyl group contributes inextricably to the functional behavior of many RNA molecules, fulfilling numerous essential chemical roles. To assess how hydroxyl groups impart functional behavior to RNA, we developed a series of experimental strategies using an array of nucleoside analogs. These strategies provide the means to investigate whether a hydroxyl group influences function directly (via hydrogen bonding or metal ion coordination), indirectly (via space-filling capacity, inductive effects, and sugar conformation), or through interactions with solvent. The nucleoside analogs span a broad range of chemical diversity, such that quantitative structure activity relationships (QSAR) now become possible in the exploration of RNA biology. We employed these strategies to investigate the spliced exons reopening (SER) reaction of the group II intron. Our results suggest that the cleavage site 2'-hydroxyl may mediate an interaction with a water molecule.     

Quantum impurities and the neutron resonance peak in YBa2Cu3O7: Ni versus Zn

The influence of magnetic (S=1) and nonmagnetic (S=0) impurities on the spin dynamics of an optimally doped high temperature superconductor is compared in YBa2(Cu0.97Ni0.03)3O7 (Tc=80 K) and YBa2(Cu0.99Zn0.01)3O7 (Tc=78 K). In the Ni-substituted system, the magnetic resonance peak (which is observed at Er approximately 40 meV in the pure system) shifts to lower energy with a preserved Er/Tc ratio while the shift is much smaller upon Zn substitution. By contrast Zn, but not Ni, restores significant spin fluctuations around 40 meV in the normal state. These observations are discussed in the light of models proposed for the magnetic resonance peak.     

Zum Nachweis und zur Bestimmung des Stickstoffs in organischen K?rpern

Ohne Zusammenfassung