Role of the confinement of a root canal on jet impingement during endodontic irrigation

During a root canal treatment the root canal is irrigated with an antimicrobial fluid, commonly performed with a needle and a syringe. Irrigation of a root canal with two different types of needles can be modeled as an impinging axisymmetric or non-axisymmetric jet. These jets are investigated experimentally with high-speed Particle Imaging Velocimetry, inside and outside the confinement (concave surface) of a root canal, and compared to theoretical predictions for these jets. The efficacy of irrigation fluid refreshment with respect to the typical reaction time of the antimicrobial fluid with a biofilm is characterized with a non-dimensional Damk?hler number. The pressure that these jets induce on a wall or at the apex of the root canal is also measured. The axisymmetric jet is found to be stable and its velocity agrees with the theoretical prediction for this type of jet, however, a confinement causes instabilities to the jet. The confinement of the root canal has a pronounced influence on the flow, for both the axisymmetric and non-axisymmetric jet, by reducing the velocities by one order of magnitude and increasing the pressure at the apex. The non-axisymmetric jet inside the confinement shows a cascade of eddies with decreasing velocities, which at the apex does not provide adequate irrigation fluid refreshment.     

Testing an Improved Artificial Viscosity Advection Scheme to Minimise Wiggles in Large Eddy Simulation of Buoyant Jet in Crossflow

Obtaining accurate and wiggle free Large Eddy Simulation (LES) results of high Re configurations with obstacles is a challenge, especially when the resolution is moderate. This study focusses on LES of buoyant jet in crossflow (JICF). The zone in front of the jet is sensitive for wiggle formation because the jet acts as an obstacle. Only 10 grid cells over the diameter of the jet at outflow are used in order to be able to simulate very large mixing areas with limited CPU power. The resolution increases rapidly to 30–50 cells over the diameter of the bend over jet further downstream. This study tests an artificial viscosity advection scheme with sixth order dissipation, called AV6, which dissipates wiggles adequately with almost no dissipation on physical relevant scales. This desirable behaviour is demonstrated by a Fourier analysis of the Advection-Diffusion equation and turbulent flow simulations. AV6 is a mix of, and improvement over, the artificial viscosity scheme of Jameson et al. (1981) with fourth order dissipation, here called AV4, and a fifth order upwind scheme (UPW5) of Wicker and Skamarock (Mon Weather Rev 130:2088, 2002). AV6 is a robust, simple and easy to implement advection scheme and the total computational time of a simulation with AV6 is only a few percent more than with the second order central scheme (CDS2). Three realistic turbulent flow problems, relevant for buoyant JICF, are used to compare the performance of AV6 with CDS2, AV4 and UPW5 with each other and with experiments. Different grid resolutions and sub-grid scale models are used. The three test cases are a non-buoyant JICF, a buoyant jet in weak coflow, and a buoyant JICF. Of all tested advection schemes, AV6 produces best results and is preferred for LES of buoyant JICF.     

Analysis of urinary oligosaccharides in lysosomal storage disorders by capillary high-performance anion-exchange chromatography–mass spectrometry

Many lysosomal storage diseases are characterized by an increased urinary excretion of glycoconjugates and oligosaccharides that are characteristic for the underlying enzymatic defect. Here, we have used capillary high-performance anion-exchange chromatography (HPAEC) hyphenated to mass spectrometry to analyze free oligosaccharides from urine samples of patients suffering from the lysosomal storage disorders fucosidosis, α-mannosidosis, G(M1)-gangliosidosis, G(M2)-gangliosidosis, and sialidosis. Glycan fingerprints were registered, and the patterns of accumulated oligosaccharides were found to reflect the specific blockages of the catabolic pathway. Our analytical approach allowed structural analysis of the excreted oligosaccharides and revealed several previously unpublished oligosaccharides. In conclusion, using online coupling of HPAEC with mass spectrometric detection, our study provides characteristic urinary oligosaccharide fingerprints with diagnostic potential for lysosomal storage disorders.     

Two-dimensional pH-responsive printable smectic hydrogels

Anisotropic swelling and deswelling of smectic liquid crystal networks have been observed in response to pH changes.     

Capillary electrophoretic bioanalysis of therapeutically active peptides with UV and mass spectrometric detection after on-capillary preconcentration.

An earlier developed capillary electrophoresis (CE) system with an on-capillary adsorptive phase is investigated for its suitability to quantitate low concentrations of angiotensin II and gonadorelin in plasma. An off-line solid-phase extraction is used for sample preparation. The on-line preconcentration CE system allows multiple capillary volumes of sample solution to be injected, increasing the concentration sensitivity of CE with 3-4 orders of magnitude. Furthermore, possible influence of matrix salts can be ruled out by employing a rinsing step after sample application. Using short-wavelength UV detection, reproducibility and linearity in the low nanomolar range were satisfactory. The capillary could be efficiently regenerated using a programmed between-run rinsing procedure, allowing 20-30 large injections of sample extracts. Coating of the capillary improved the robustness of the method. Mass spectrometric detection via a previously reported sheathless interface increased the selectivity and sensitivity substantially. Recommendations are provided for the sample preparation process, the most critical part of the system. Further purification of the sample is required to allow the loading of larger sample volumes and to optimize the system's robustness.     

Possibilities for misinterpretation in ASV-speciation studies of natural waters

Summary A summary is given of possible pitfalls identified in the speciation studies of trace elements by Differential Pulse Anodic Stripping Voltammetry including sampling-, storage- and sample treatment procedures.

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Mögliche Mißdeutungen bei ASV-Speciesuntersuchungen von natürlichen Wässern

Zusammenfassung Die Probleme, die bei Speciesuntersuchungen von Spurenelementen mit Hilfe der Differentialpuls Anodic Stripping Voltammetrie auftreten, werden zusammenfassend dargestellt. Neben den bei der eigentlichen Bestimmung auftretenden Problemen, werden auch solche erwähnt, die mit der Probennahme sowie der Lagerung und Vorbehandlung der Proben in Zusammenhang stehen.

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Dedicated to Prof. Dr. W. Fresenius on the occasion of his 70th birthday     

Combined theoretical and experimental deep-UV resonance raman studies of substituted pyrenes

The results of time-dependent density functional theory (TDDFT) calculations of resonance Raman intensities are combined with experimental deep-ultraviolet resonance Raman measurements at a single wavelength, i.e., 244 nm, in order to test the possibility to distinguish several very similar compounds. Pyrene and three of its substituted derivatives, in which a single hydrogen atom has been replaced by a halogen atom, are compared. The fixed 244 nm excitation wavelength overlapped with the same electronic transition of the four pyrenes. Ground-state calculations using the BP86 exchange-correlation functional were used to predict the Raman frequencies, whereas excited-state calculations have been carried out employing the "statistical averaging of (model) orbital potentials" (SAOP) potential within a linear-response TDDFT framework in combination with the short-time approximation of resonance Raman intensities. In view of the simplistic theoretical approach, we find a surprisingly good agreement between the simulated and measured resonance Raman spectra of pyrene and its substituted analogues in terms of frequencies and intensities, which shows that the calculations can be used reliably to interpret the experimental spectra. With this combined information, it is possible to find criteria to distinguish the compounds under investigation, although many features of their vibrational spectra are similar.     

Spatially resolved spectroscopy and structurally encoded imaging by magnetic resonance force microscopy of quadrupolar spin systems

Enhancement of the sensitivity of magnetic resonance force microscopy allowed the extension of the technique to observe half-integer quadrupolar nuclei. This is demonstrated for various different compounds and nuclei with different spin numbers. The possibility of obtaining spatially localized spectral information through the quadrupole interaction is implemented by using nutation NMR. This enables us to superimpose a contrast function on the image of materials depending on their local lattice structure. This opens up new possibilities for both surface and subsurface studies in materials chemistry.