Space-time discontinuous Galerkin method for the solution of fluid-structure interaction

The paper is concerned with the application of the space-time discontinuous Galerkin method (STDGM) to the numerical solution of the interaction of a compressible flow and an elastic structure. The flow is described by the system of compressible Navier-Stokes equations written in the conservative form. They are coupled with the dynamic elasticity system of equations describing the deformation of the elastic body, induced by the aerodynamical force on the interface between the gas and the elastic structure. The domain occupied by the fluid depends on time. It is taken into account in the Navier-Stokes equations rewritten with the aid of the arbitrary Lagrangian-Eulerian (ALE) method. The resulting coupled system is discretized by the STDGM using piecewise polynomial approximations of the sought solution both in space and time. The developed method can be applied to the solution of the compressible flow for a wide range of Mach numbers and Reynolds numbers. For the simulation of elastic deformations two models are used: the linear elasticity model and the nonlinear neo-Hookean model. The main goal is to show the robustness and applicability of the method to the simulation of the air flow in a simplified model of human vocal tract and the flow induced vocal folds vibrations. It will also be shown that in this case the linear elasticity model is not adequate and it is necessary to apply the nonlinear model.     

Highly enantioselective organocatalytic direct aldol reaction in an aqueous medium

We have demonstrated that small organic molecules 1 and 2 catalyzed the direct aldol reaction of both acyclic and cyclic ketones with different aldehydes in an excess of water/brine. Excellent enantioselectivities up to >99% and diastereoselectivities up to 99% with very good yields were obtained by using much lower catalyst loadings (0.5 mol %).     

Interaction of the antimicrobial peptide dicynthaurin with membrane phospholipids at the air-liquid interface

This paper reports the first study on the interaction of the antimicrobial peptide dicynthaurin with 1,2-dipalmitoyl-glycerophosphatidyl-glycerol investigated in monolayers at the air-liquid interface. The influence of the peptide on the two-dimensional phase behavior of the negatively charged lipid was elucidated by means of pressure-area isotherm measurements, fluorescence microscopy, and grazing incidence X-ray diffraction measurements. The pure peptide forms a stable monolayer at the air-liquid interface up to 30 mN/m as shown for both the monomeric and the dimeric cynthaurins. The peptide lipid interaction was monitored in isotherm measurements showing a strong adsorption of the peptide and stabilization at the interface promoted by the lipid monolayer. The X-ray diffraction measurements in agreement with fluorescence microscopy studies showed that the peptide destabilizes the condensed chain lattice, leading to a complete fluidization of the condensed lipid phase on physiological buffer. The adsorption of the peptide to the negatively charged lipid monolayer and the fluidization of the condensed chain lattice suggest a direct link to the peptides' ability to expand the bacterial membrane that would be relevant for the in vivo mode of action.     

Study of radon exhalation from the soil

The influence of meteorological parameters on radon exhalation rate was analyzed. The analyses show a significant influence of precipitation on radon exhalation rate. The highest exhalation rate was found during dry periods and the lowest during the periods of strong precipitation. We also tested two different types of detectors for the measurement of radon exhalation rate—the ionization chamber (AlphaGUARD) and the scintillation chamber of Lucas type. The exhalation rates measured by these detectors were in a good agreement. Likewise, there was an agreement in radon exhalation rates determined from short term and long term increases in radon activity concentration.     

Die Hydrolyse von Phospholinsäureamiden

Hydrolysis of Amides of Phospholinic Acid The acid catalysed hydrolysis of (= OAP, R = organic substituent) has been investigated kinetically. Provided the pH remains constant, the hydrolysis is a first order reaction. From the temperature dependance of the rate constant the activation energy E_a as well as the thermodynamic data ΔH* and ΔS* have been calculated. In comparison to the compound with R = H aromatic substituents and additional the t-butyl group enhance E_a whilst aliphatic substituents included the benzyl group diminish E_a. The first step of the reaction is a protonation at the oxygen or nitrogen resulting in the formation of an equilibrium. After the determination of the basicity constant K_A of some OAPs it was possible to calculate the respective rate constants of the rate determining step of the reactions and the corresponding thermodynamic data E_F, ΔH and ΔS. It is assumed that the mechanism of the hydrolysis takes place according to the same scheme which has been assumed for the hydrolysis of cyclic esters of the phosphinic acid by Ugi [1] and colaborators.     

Secondary ion mass spectrometry and alpha-spectrometry of electrodeposited thorium films

The main aim of this work was the preparation of samples with thorium content on the steel discs by electrodeposition for determination of natural thorium isotope by alpha spectrometry and secondary ion mass spectrometry and finding out their possible linear correlation between these methods. The analysis of the composition of surface was other aim of study. Discs were measured by alpha spectrometer. After that, alpha spectrometry discs were analyzed by TOF-SIMS IV, which is installed in the International Laser Centre in Bratislava. The integral and normalized intensities of isotope of ²³²Th and intensities of ions of ThO⁺, ThOH⁺, ThO₂H⁺, Th₂O₄H⁺, ThO₂ ^?, ThO₃H^?, ThH₃O₃ ^? a ThN₂O₅H^? were measured. The linear correlation is between surface’s weights of Th and intensities of ions of Th⁺ from identified in SIMS spectra. We found out the chemical binding between thorium and oxygen and hydrogen on the surface of samples by SIMS method. Obtained intensities of ions ²³²ThO⁺, ²³²ThOH⁺, ²³²ThO₂H⁺ prove the presence of oxidized forms of thorium in the upper layers of surface. The oxidized ions predominate in univalent form of thorium up to deep about 3,000 nm.     

Helicenophyrins: Expanded Carbaporphyrins Incorporating Aza[5]helicene and Heptacyclic S‐Shaped Aza[5]helicene Motifs

Incorporation of phenanthrene into a hexaphyrin(1.1.1.1.1.0) frame resulted in intramolecular ring fusion, thus giving rise to chiral helicenophyrins. These molecules contain helicene and porphyrin features by incorporating either an aza[5]helicene or heptacyclic S‐shaped aza[5]helicene.     

Synthesis,crystal structure and optical properties of quasi-one-dimensional lead (II) iodide: C14H18N2Pb2I6

Quasi-one-dimensional lead (II) iodide compound, C₁₄H₁₈N₂Pb₂I₆, with unique crystal structure was synthesized and solved for the crystal structure. These novel inorganic-organic hybrids have high thermal stability of upto 300 °C and show excitonic and charge-transfer features in their optical properties. An attempt has been made to understand the structural and optical mechanisms between inorganic one-dimensional polymeric PbI nano ribbons and the guest organic moiety for future applications in nanoscaled electronic devices.