Molecular flow and wall collision age distributions

The use of storage cells has become a standard technique for internal gas targets in conjunction with high energy storage rings. In case of spin-polarized hydrogen and deuterium gas targets the interaction of the injected atoms with the walls of the storage cell can lead to depolarization and recombination. Thus the number of wall collisions of the atoms in the target gas is important for modeling the processes of spin relaxation and recombination. It is shown in this article that the diffusion process of rarefied gases in long tubes or storage cells can be described with the help of the one-dimensional diffusion equation. Mathematical methods are presented that allow one to calculate collision age distributions (CAD) and their moments analytically. These methods provide a better understanding of the different aspects of diffusion than Monte Carlo calculations. Additionally it is shown that measurements of the atomic density or polarization of a gas sample taken from the center of the tube allow one to determine the possible range of the corresponding density weighted average values along the tube. The calculations are applied to the storage cell geometry of the HERMES internal polarized hydrogen and deuterium gas target. Received 9 July 2001 and Received in final form 18 September 2001     

New interpretations of XPS spectra of nickel metal and oxides

A current interpretation of XPS spectra of Ni metal assumes that the main 6 eV satellite is due to a two hole c3d⁹4s² (c is a core hole) final state effect. We report REELS observation in AES at low voltages of losses (plasmons and inter-band transitions) corresponding to the satellite structures in Ni metal 2p spectra. The satellite near 6 eV is attributed to a predominant surface plasmon loss. A current interpretation of Ni 2p spectra of oxides and other compounds is based on charge transfer assignments of the main peak at 854.6 eV and the broad satellite centred at around 861 eV to the cd⁹L and the unscreened cd⁸ final-state configurations, respectively (L is a ligand hole). Multiplet splittings have been shown to be necessary for assignment of Fe 2p and Cr 2p spectral profiles and chemical states. The assignments of Ni 2p states are re-examined with intra-atomic multiplet envelopes applied to Ni(OH)₂, NiOOH and NiO spectra. It is shown that the free ion multiplet envelopes for Ni²⁺ and Ni³⁺ simulate the main line and satellite structures for Ni(OH)₂ and NiOOH. Fitting the NiO Ni 2p spectral profile is not as straightforward as the hydroxide and oxyhydroxide. It may involve contributions from inter-atomic, non-local electronic coupling and screening effects with multiplet structures significantly different from the free ions as found for MnO. A scheme for fitting these spectra using multiplet envelopes is proposed.     

The effect of microscopic features upon the transmissivity of enclosed laser ablated laminated metallised polymer films

A vacuum-deposited aluminium layer (20 nm) is sandwiched between two layers of laminated oriented polypropylene (OPP) film whose thickness varies from 20 to 40 μm. Selected areas of this sealed system were transparentised by the redistribution of the aluminium layer without breaking the seal or causing damage to the OPP film using a 75 W Q-switched Nd:YAG laser. The resultant transparentised films contain aluminium particles, distorted polymer areas and intact areas of the vacuum-coated aluminium layer. This paper investigates the effect of microscopic features upon the overall transmissivity of the laser-treated films and hence the quality of the transparentisation process.     

Pharmazeutische Pr?parate

Ohne Zusammenfassung     

Shifting the Superparamagnetic Limit of Nanosized Copper Iron Spinel

In this paper we analyze trend of EFG values measured at Cd impurity in a group of semiconducting delafossites with chemical formula CuBO₂ (B = Al, Fe, Cr, Nd). We conclude that this trend reveals one of the most subtle details in electronic spectrum of the compounds: if impurity states are formed within or out of the band gap. In CuAlO₂ and CuFeO₂ the Cd EFG exhibits larger value than in CuCrO₂ and CuNdO₂, when Cd substitutes the Cu atom. This occurs because in the first two compounds the Cd forms shallow band within the gap, and in the second two compounds does not. When Cd occupies the B position it exhibits almost the same EFG in all delafossites. In this case, Cd does not form its states within the gap in none of the compounds. To arrive to these conclusions we analyzed and calculated various systems (Cd-doped CuAlO₂ and CuCrO₂ compounds, fictitious molecules), using the FP-LAPW method.     

Formation, isolation and characterization of an AB-biaryl atropisomer of oritavancin

Oritavancin is a semi-synthetic glycopeptide antibiotic which is structurally related to vancomycin. When oritavancin bisphosphate is dried in vacuo with heat, a new compound forms. This new compound is stable only in the solid state and reverts to oritavancin in solution. Highly enriched samples of this compound were obtained by preparative HPLC and the structure of this compound was elucidated by using one and two-dimensional (¹H and ¹³C) NMR spectroscopy in conjunction with computer-assisted molecular modeling. It has been determined that oritavancin adopts a conformation similar to that of vancomycin in solution, while the new compound is the unnatural R-AB-biaryl atropisomer of oritavancin. This is the first observation and isolation of an AB-biaryl atropisomer in an intact member of the vancomycin family of glycopeptide antibiotics.