Preservation of the Pt(100) surface reconstruction after growth of a continuous layer of graphene

Scanning tunneling microscopy shows that a layer of graphene can be grown on the hex-reconstructed Pt(100) surface and that the reconstruction is preserved after growth. A continuous sheet of graphene can be grown across domain boundaries and step edges without loss of periodicity or change in direction. Density functional theory calculations on a simple model system support the observation that the graphene can have different rotation angles relative to the hex-reconstructed Pt surface. The graphene sheet direction can be changed by incorporating pentagon-heptagon defects giving rise to accommodation of edge dislocations. The defect formation energy and the induced buckling of the graphene have been characterized by DFT calculations.     

A Stokes model with cavitation for the numerical simulation of hydrodynamic lubrication

We present a cavitation model based on the Stokes equation and formulate adaptive finite element methods for its numerical solution. A posteriori error estimates and adaptive algorithms are derived, and numerical examples illustrating the theory are supplied, in particular with comparison to the simplified Reynolds model of lubrication. Copyright © 2010 John Wiley & Sons, Ltd.     

Intensity variations in the near-band-edge recombination of GaP epitaxial layers, grown on (111) and (001) oriented substrates, as observed by cathodoluminescence imaging

In this study a comparison between GaP layers, grown by metalorganic vapour phase epitaxy on either (111) oriented GaP substrates or (001) oriented GaP substrates, is made with respect to the near-band-edge luminescence. Spectrally resolved cathodoluminescence, CL, images were recorded at ˜ 25 K with detection on either the bound exciton emission or the donor-to-acceptor pair emission. The intensity variations observed in the CL images are interpreted in terms of aggregation of impurities around threading dislocations. Contrary to the layers grown on (001) oriented substrates, the layers grown on (111) oriented substrates show a segregation effect of the acceptor constituent involved in the donor-to-acceptor pair emission.     

Biased bilayer graphene: semiconductor with a gap tunable by the electric field effect

We demonstrate that the electronic gap of a graphene bilayer can be controlled externally by applying a gate bias. From the magnetotransport data (Shubnikov-de Haas measurements of the cyclotron mass), and using a tight-binding model, we extract the value of the gap as a function of the electronic density. We show that the gap can be changed from zero to midinfrared energies by using fields of less, approximately < 1 V/nm, below the electric breakdown of SiO2. The opening of a gap is clearly seen in the quantum Hall regime.     

Large eddy simulation of natural convection along a vertical isothermal surface

Large eddy simulations of natural convection along a vertical isothermal surface have been carried out using a parallel CFD code SMAFS (Smoke Movement And Flame Spread) developed by the first author to study the dynamics of the natural convection flow and the associated convective heat transfer, with sub-grid scale turbulence modeled using the Smagorinsky model. In the computation, the filtered governing equations are discretized using finite volume method, with the variables at the cell faces in the finite volume discrete equations approximated by a second order bounded QUICK scheme and the diffusion term computed based on central difference scheme. The computation was time marched explicitly, with momentum equations solved based on a second order fractional-step Adams–Bashford scheme and enthalpy computed using a second order Runge–Kutta scheme. The Poisson equation for pressure from the continuity equation was solved using a multi-grid solver. The results including the temperature and velocity profiles of the boundary layer and the local heat transfer rate are analyzed. Comparison is made with experimental data and good agreement is found.     

Characterization of Glycan Structures of Chondroitin Sulfate-Glycopeptides Facilitated by Sodium Ion-Pairing and Positive Mode LC-MS/MS

Purification and liquid chromatography-tandem mass spectrometry (LC-MS/MS) characterization of glycopeptides, originating from protease digests of glycoproteins, enables site-specific analysis of protein N- and O-glycosylations. We have described a protocol to enrich, hydrolyze by chondroitinase ABC, and characterize chondroitin sulfate-containing glycopeptides (CS-glycopeptides) using positive mode LC-MS/MS. The CS-glycopeptides, originating from the Bikunin proteoglycan of human urine samples, had ΔHexAGalNAcGlcAGalGalXyl-O-Ser hexasaccharide structure and were further substituted with 0-3 sulfate and 0-1 phosphate groups. However, it was not possible to exactly pinpoint sulfate attachment residues, for protonated precursors, due to extensive fragmentation of sulfate groups using high-energy collision induced dissociation (HCD). To circumvent the well-recognized sulfate instability, we now introduced Na⁺ ions to form sodiated precursors, which protected sulfate groups from decomposition and facilitated the assignment of sulfate modifications. Sulfate groups were pinpointed to both Gal residues and to the GalNAc of the hexasaccharide structure. The intensities of protonated and sodiated saccharide oxonium ions were very prominent in the HCD-MS2 spectra, which provided complementary structural analysis of sulfate substituents of CS-glycopeptides. We have demonstrated a considerable heterogeneity of the bikunin CS linkage region. The realization of these structural variants should be beneficial in studies aimed at investigating the importance of the CS linkage region with regards to the biosynthesis of CS and potential interactions to CS binding proteins. Also, the combined use of protonated and sodiated precursors for positive mode HCD fragmentation analysis will likely become useful for additional classes of sulfated glycopeptides.

Open image in new window

Graphical Abstract ?

     

Internal gravity–capillary solitary waves in finite depth

We consider a two‐dimensional inviscid irrotational flow in a two layer fluid under the effects of gravity and interfacial tension. The upper fluid is bounded above by a rigid lid, and the lower fluid is bounded below by a rigid bottom. We use a spatial dynamics approach and formulate the steady Euler equations as a Hamiltonian system, where we consider the unbounded horizontal coordinate x as a time‐like coordinate. The linearization of the Hamiltonian system is studied, and bifurcation curves in the (β,α)‐plane are obtained, where α and β are two parameters. The curves depend on two additional parameters ρ and h, where ρ is the ratio of the densities and h is the ratio of the fluid depths. However, the bifurcation diagram is found to be qualitatively the same as for surface waves. In particular, we find that a Hamiltonian‐Hopf bifurcation, Hamiltonian real 1:1 resonance, and a Hamiltonian 0²‐resonance occur for certain values of (β,α). Of particular interest are solitary wave solutions of the Euler equations. Such solutions correspond to homoclinic solutions of the Hamiltonian system. We investigate the parameter regimes where the Hamiltonian‐Hopf bifurcation and the Hamiltonian real 1:1 resonance occur. In both these cases, we perform a center manifold reduction of the Hamiltonian system and show that homoclinic solutions of the reduced system exist. In contrast to the case of surface waves, we find parameter values ρ and h for which the leading order nonlinear term in the reduced system vanishes. We make a detailed analysis of this phenomenon in the case of the real 1:1 resonance. We also briefly consider the Hamiltonian 0²‐resonance and recover the results found by Kirrmann. Copyright © 2016 John Wiley & Sons, Ltd.     

Nanoparticle-based pseudostationary phases in CEC: a breakthrough in protein analysis?

This review focuses on major trends in nanoparticle-based pseudostationary phase (PSP) CEC since the publication of our previous reviews within nanoparticle-based CEC [Nilsson, C., et al., Electrophoresis 2006, 27, 76-83; Nilsson, C., et al., J. Chromatogr. A 2007, 1168, 212-224.]. Special attention is given to the development toward protein analysis, which is driven by the strong emergence of protein drug development in the pharmaceutical industry. Furthermore, we discuss the development in coupling different detection techniques with nanoparticle-based PSP CEC, which were originally predicted to be particularly cumbersome. However, at present, direct UV, LIF and ESI-MS have been used without any severe complications. Different types of nanoparticles used as PSP during the period include gold nanoparticles, carbon nanostructures and lipid-based nanoparticles. New materials (for example, different types of carbon nanostructures and self assembled lipid-based nanostructures) are a strong driving force for development in separation science. Finally, future trends in nanoparticles-based CEC are envisioned.     

Effect of Heparin,Fucoidan and Other Polysaccharides on Adhesion of Enterohepatic <Emphasis Type="Italic">Helicobacter</Emphasis> Species to Murine Macrophages

Helicobacter species have been isolated and cultured from both the gastric and enterohepatic niches of the gastrointestinal tract and are associated with a wide spectrum of diseases. Some members of the enterohepatic Helicobacter species (EHS), which include Helicobacter bilis, Helicobacter hepaticus and Helicobacter pullorum, are associated with chronic inflammatory and proliferative bowel inflammation, hepatitis and in experimental murine studies with hepatic cancer. The present study aimed to explore if polysulphated polysaccharides can prevent adhesion of EHS to the murine macrophage cell line J774A.1. A competitive binding assay showed that heparin and heparan sulphate at a concentration of 1.25 mg/ml reduced binding of H. hepaticus and H. pullorum to the host cells, but not H. bilis. Of the tested Helicobacter spp, the highest inhibition by heparin was demonstrated for H. pullorum (P < 0.01), the most hydrophilic strain. Partially or completely de-sulphated heparin derivatives lost the ability to inhibit adherence of EHS, indicating the importance of sulphated groups of heparin. The most efficient inhibitor of EHS binding to macrophages was fucoidan, which reduced bacterial adhesion of the three enterohepatic Helicobacter species to a greater extent than heparin, 60–90% inhibition vs 30–70% inhibition by heparin. Identification of receptors that EHS ligands bind to is important for understanding the development of infection and may provide a rational target to prevent infection and therapy.