Measurement of the 20 and 90 keV resonances in the 18O(p,alpha)15N reaction via the Trojan horse method

The 18O(p,alpha)15N reaction is of primary importance in several astrophysical scenarios, including fluorine nucleosynthesis inside asymptotic giant branch stars as well as oxygen and nitrogen isotopic ratios in meteorite grains. Thus the indirect measurement of the low energy region of the 18O(p,alpha)15N reaction has been performed to reduce the nuclear uncertainty on theoretical predictions. In particular the strength of the 20 and 90 keV resonances has been deduced and the change in the reaction rate evaluated.     

Photoemission spectroscopy of the strong-coupling superconducting transitions in lead and niobium

Scanning tunneling microscopy on roughened Au(110) reveals that the equilibrium shape of islands and pits on this surface is almondlike: each island contains two smoothly curved steps joined at two sharp corners. This shape has recently been predicted and finds its origin in the missing-row reconstruction of its fcc (110) surfaces (Au, Pt, etc.). We use the corner angles and the island shapes to determine the step energies. In addition we find that during the decay of an island on the Au(110) surface the shape changes and that the disappearance of the island involves the splitting of the layer below the island into two disconnected regions. The shape change has a dramatic influence on the decay rate of the islands.     

Improved model for the analysis of back corona in pulse energised electrostatic precipitators

Formation of back corona and its effect on the voltage–current characteristics, etc., have been analysed by several authors. It has also been examined how the harmful effect of back corona can be reduced, for example by the application of pulse energisation. However, to find an optimal solution, modelling of the back corona effect is necessary. Different back corona models were created to estimate the time of its development, the change in current–voltage characteristics, the decrease in particle charge and finally, the collection efficiency of the ESP with back corona. In this paper the authors present an improved numerical ESP model that is capable of determining the parameters of back corona in such cases, when pulse energisation is applied for the power supply of the electrostatic precipitator. Based on the modular structure of the model, different modules calculate the distribution of gas velocity, electric field intensity, particle charging and particle movement. All these parameters are important to determine the properties of back corona while it feeds back on these parameters; therefore iteration is necessary to obtain reliable result. The harmful effects of back corona can be characterised with the help of the evaluation of calculated results.     

β-Eliminativer Abbau bei 4-0-substituierten Hexopyranosiduronat-Derivaten

Two types of endocyclic enol-acetal forming β-elimination were investigated on synthetic model compounds. In both types the 4-O-methanesulfonyl residue was chosen as leaving group. The a,e-β-elimination was proved on 2,3-benzyl ether protected D -glucopyranosiduronate derivatives I, and the a, a-β-elimination on the analogous substituted D -galactopyranosiduronates XVII. Using a small excess of KOH in methanol at 25°, a quick elimination of a molecule of methanesulfonic acid was observed, and as reaction product the 4,5-unsaturated 4-deoxyhexopyranosiduronate derivative II was obtained. Only an unimportant stereoselectivity was found between the a,e- and a,a-mesylate β-eliminations. The 4,5-unsaturated 4-deoxyhexopyranosiduronates show a strong UV. maximum at 238 nm, and Cotton effects in the ORD. spectra. This stable ring system with an endocyclic enol-acetal linkage is present in a half-chair (H) conformation. The structure of the unsaturated deoxyhexopyranosiduronate obtained was established by structure- and stereo-correlation with a 2-deoxy-L -xylose derivative, showing that a ring contraction during the β-elimination does not occur.     

Theory of inelastic scattering from magnetic impurities

We use the numerical renormalization group method to calculate the single-particle matrix elements T of the many-body T matrix of the conduction electrons scattered by a magnetic impurity at T=0 temperature. Since T determines both the total and the elastic, spin-diagonal scattering cross sections, we are able to compute the full energy, spin, and magnetic field dependence of the inelastic scattering cross section sigma(inel)(omega). We find an almost linear frequency dependence of sigma(inel)(omega) below the Kondo temperature T(K), which crosses over to a omega(2) behavior only at extremely low energies. Our method can be generalized to other quantum impurity models.     

Experimental evidence for the p-d hybridization in the Cd-Ca quasicrystal: origin of the pseudogap

Ca 2p-3d resonant photoemission spectroscopy of a Cd6Ca crystalline approximant unambiguously demonstrates that the low-lying unoccupied 3d levels of calcium are lowered below the Fermi energy by the formation of the approximant, as suggested from electronic structure calculations [Phys. Rev. Lett. 87, 206408 (2001)]]. Moreover, the Ca 3d partial density of states (DOS) obtained near the Fermi energy is in reasonable agreement with theoretical Ca 3d DOS. These results verify the unconventional picture that the origin of the pseudogap in the Cd-based quasicrystals is due to hybridization of the Ca 3d band with the Cd 5p band.     

Substrate binding to vanadate-dependent bromoperoxidase from Ascophyllum nodosum: a vanadium K-edge XAS approach

The EXAFS region of vanadium K-edge XAS spectra of native vanadate-dependent bromoperoxidase (isoenzyme I) from Ascophyllum nodosum in the presence of the substrate bromide can be fitted to three shells (at 1.62, 1.73-1.78 and 1.99-2.07 A) in the first coordination sphere of vanadium plus two more distant shells at 4.1A, possibly corresponding to bromide, and 4.7 A due to light scatterers stemming from the protein pocket. Bromide does not directly bind to the vanadium centre. The XANES and the EXAFS features for the enzyme are essentially reproduced by model complexes of the general composition [VO(H(2)O)(n)(ONO)] (n= 1 or 2) where ONO is the dianion of a Schiff base from bromosalicylaldehydes (Brsal; with the Br substituent in the position 3, 4, 5 or 6) and amino acids. The 3-Brsal derivatives exhibit an outer sphere shell at 3.8 A, which is traced back to intermolecular contacts. The data obtained from EXAFS are compared to those obtained from single crystal X-ray diffraction of [VO(H(2)O)(2)(4-Brsal-gly)] and [VO(H(2)O)(2)(6-Brsal-gly)] (gly = glycinate). In the complex [VOBr(2)(ONO)']] ((ONO)' is the Schiff base from o-anisole and o-hydroxyaniline), the V-Br distance is 2.44 A.     

Synthesis, chiroptical properties, and solid-state structure determination of two new chiral dipyrrin difluoroboryl chelates

Two new types of optically active BODIPY fluorophores bearing chiral phenyl substituents either at the meso-position or at both external alpha-positions have been synthesized. Their chiroptical properties are strongly dependent both on the position of the chiral group and on the protonation of the chromophore. The solid-state structures of one of the difluoroboryl chelates bearing the chiral phenyl substituent at the meso-position (9a) as well as of the corresponding ligand (8a) and its perchlorate have been determined by X-ray diffraction analysis. These are, to the best of our knowledge, the first crystal structures of a dipyrrin free base and of a dipyrrin salt which have been obtained by X-ray diffraction analysis. Hence, for the first time, the helical structure of a protonated dipyrrin chromophore has been proved experimentally.