CONVERGENCE OF THE NONCONFORMING WILSON''''S BRICK FOR ARBITRARY HEXAHEDRAL MESHES

The nonconforming Wilson's brick classically is restricted to regular hexahedral meshes. Lesaint and Zlamal[6] relaxed this constraint for the two-dimensional analonue of this element In this paper we extend their results to three dimensions and prove that and where u is the exact solution, u_h is the approximate solution and is the usual norm for the Sobolev space H~1(?).     

Orientation modulation of a synthetic polypeptide in self-assembled monolayers: a TOF-SIMS study

Structure and orientation of molecules are key properties of functionalized surfaces. Using time-of-flight secondary ion mass spectrometry (TOF-SIMS), here we investigate how to modulate these parameters upon the immobilization process varying the conditions of self-assembly. The molecule of interest, a template-assembled synthetic protein (TASP), consists of a central peptide ring with orthogonally arranged residues. Thioalkane chains allow the directed self-assembly of the molecule on a gold surface; four serine residues on the opposite side of the ring can be used as anchoring sites for various functional sensing molecules. The TASP conformation and its orientation in self-assembled monolayers (SAMs) play a central role for the accessibility of these serine residues. To study the influence of the self-assembly conditions, two series of samples were prepared. Pure TASP monolayers of different surface densities are compared to mixed TASP/alkanethiol monolayers prepared by sequential adsorption varying sequence and particular incubation times as well as by coadsorption modifying incubation times and TASP/alkanethiol mass ratios. Switching the TASP orientation from a state where the molecules are lying flat on the surface to an upright orientation turned out to be possible by inserting the TASP into a preformed alkanethiol monolayer of an appropriate surface density. This study demonstrates that TOF-SIMS is an excellent tool not only to investigate the surface composition, but also the molecular structure of functionalized surfaces.     

Bound state solutions of d-dimensional Schrdinger equation with Eckart potential plus modified deformed Hylleraas potential

We study the d-dimensional Schrdinger equation for Eckart plus modified deformed Hylleraas potentials using the generalized parametric form of Nikiforov-Uvarov method.We obtain energy eigenvalues and the corresponding wave function expressed in terms of a Jacobi polynomial.We also discuss two special cases of this potential comprised of the Hulthen potential and the Rosen-Morse potential in three dimensions.Numerical results are also computed for the energy spectrum and the potentials.     

Über S. Lies Geometrie der Kreise und Kugeln

Ohne Zusammenfassung     

Über S. Lies Geometrie der Kreise und Kugeln

Ohne Zusammenfassung(Dritte Fortsetzung.)     

Influence of arsenic,antimony and cobalt impurities on the cathodic process in zinc electrowinning

By means of an electrochemical study,the influence of arsenic,antimony and cobalt on cathodic polarization in the zinc electrowinning process,the associated kinetic equations and parameters,and the polarization mechanism have been studied.The results show that the experimental values of the kinetic parameters are in accord with the theoretical values in the ZnSO4/H2SO4 solution with a single impurity is added.In contrast,the charge transfer coefficient α is smaller than the theoretical value in the ZnSO4/H2...     

Über S. Lies Geometrie der Kreise und Kugeln

Ohne Zusammenfassung4. Fortsetzung.     

Einige elementare Bemerkungen über den Prozeß der analytischen Fortsetzung

Ohne Zusammenfassung     

AlIII ion complexes of saccharic acid and mucic acid: a solution and solid-state study

The Al(III)-binding abilities of two aldaric acids, D-saccharic acid and mucic acid (the neutral form is denoted as H(2)L), were studied in solution by means of pH potentiometric, (1)H and (13)C NMR, and ESI-MS techniques. The most probable conformations and isomeric binding modes of the complexes formed in solution were determined by density functional theory (DFT) calculations. A solid D-saccharic acid complex K(2)[[Al(LH(-2))(H(2)O)](2)].H(2)O was isolated and crystallographically characterised. The two alcoholic hydroxy groups alpha to the terminal COO(-) groups were found to take part in the coordination, but in different ways. One of them coordinates in a bridging mode. Detailed ESI-MS and NMR studies proved that the complex retains its structure in solution. However, depending on the ligand and the pH, such complexes may exist in two isomeric forms. DFT calculations on the ion [[Al(LH(-2))(H(2)O)](2)](2-) revealed that several orbitals participate in stabilizing the dimeric arrangement.     

Aminolysis of methoxy groups in pyrimidine derivatives. Activation by 5‐nitroso

The nucleophilic substitution of 2‐mefhoxy groups in pyrimidine derivatives was strongly activated by introduction of a 5‐nitroso group on to the pyrimidine ring. The aminolysis of several 2‐methoxy‐5‐nitrosopyrimidine derivatives was performed at room temperature in hydroxylic as well as in non‐hydroxylic media with different primary amines in short time and good yields. The aminolysed substrates include 6‐[(per‐O‐acetyl)glycosyl]aminopyrimidines which afforded the corresponding 2‐aminopyrimidines without harming the acetyl protecting groups of the sugar moiety.