Reactivity between CuxV2O5 and AgyV2O5 bronzes studied by spark plasma sintering

A method based on the analysis of reaction layers that form in Cu_xV₂O₅–Ag_yV₂O₅ interdiffusion couples annealed by spark plasma sintering to quickly explore the Cu–Ag–V₂O₅ ternary system at high pressure is presented. Through use of microanalysis profiling, the phases occurring in this system have been obtained much faster than by conventional techniques of solid-state chemistry. Microdiffraction profiling has also been used to properly identify the Cu_0.5Ag_0.5V₂O₅ phase in the reaction layer between CuV₂O₅ and Ag_0.8V₂O₅. The stability domains of the phases have been approximately determined and interpreted. In most cases, reaction kinetics occurs quickly, as expected by the high diffusion coefficient of Cu and Ag in V₂O₅. Though the experiments have been carried out under high pressure (75 MPa), the same phases are obtained than with sealed quartz tubes experiments.     

Visualization of Protein‐Specific Glycosylation inside Living Cells

Protein glycosylation is a ubiquitous post‐translational modification that is involved in the regulation of many aspects of protein function. In order to uncover the biological roles of this modification, imaging the glycosylation state of specific proteins within living cells would be of fundamental importance. To date, however, this has not been achieved. Herein, we demonstrate protein‐specific detection of the glycosylation of the intracellular proteins OGT, Foxo1, p53, and Akt1 in living cells. Our generally applicable approach relies on Diels–Alder chemistry to fluorescently label intracellular carbohydrates through metabolic engineering. The target proteins are tagged with enhanced green fluorescent protein (EGFP). Förster resonance energy transfer (FRET) between the EGFP and the glycan‐anchored fluorophore is detected with high contrast even in presence of a large excess of acceptor fluorophores by fluorescence lifetime imaging microscopy (FLIM).     

Sterically Active Electron Pairs in Lead Sulfide? An Investigation of the Electronic and Vibrational Properties of PbS in the Transition Region Between the Rock Salt and the α-GeTe-Type Modifications

Recently, we have investigated the energy landscape of PbS for many different pressures on the ab initio level by using Hartree-Fock and density functional theory to globally search for possible thermodynamically stable and metastable structures. The perhaps most fascinating observation was that besides the experimentally known modification exhibiting the rock salt structure a second minimum exists close-by on the landscape showing the low-temperature α-GeTe-type structure. In the present study, we investigate the possible reasons for the existence of this metastable modification; in particular we address the question, whether the α-GeTe-type modification might be stabilized (and conversely the rock salt modification destabilized) by steric effects of the non-bonding electron pair.     

Atomistic modeling of thermodynamic equilibrium and polymorphism of iron

We develop two new modified embedded-atom method (MEAM) potentials for elemental iron, intended to reproduce the experimental phase stability with respect to both temperature and pressure. These simple interatomic potentials are fitted to a wide variety of material properties of bcc iron in close agreement with experiments. Numerous defect properties of bcc iron and bulk properties of the two close-packed structures calculated with these models are in reasonable agreement with the available first-principles calculations and experiments. Performance at finite temperatures of these models has also been examined using Monte Carlo simulations. We attempt to reproduce the experimental iron polymorphism at finite temperature by means of free energy computations, similar to the procedure previously pursued by Müller et al (2007 J. Phys.: Condens. Matter 19 326220), and re-examine the adequacy of the conclusion drawn in the study by addressing two critical aspects missing in their analysis: (i) the stability of the hcp structure relative to the bcc and fcc structures and (ii) the compatibility between the temperature and pressure dependences of the phase stability. Using two MEAM potentials, we are able to represent all of the observed structural phase transitions in iron. We discuss that the correct reproductions of the phase stability among three crystal structures of iron with respect to both temperature and pressure are incompatible with each other due to the lack of magnetic effects in this class of empirical interatomic potential models. The MEAM potentials developed in this study correctly predict, in the bcc structure, the self-interstitial in the (110) orientation to be the most stable configuration, and the screw dislocation to have a non-degenerate core structure, in contrast to many embedded-atom method potentials for bcc iron in the literature.     

The Cytotoxic Effect of α-Synuclein Aggregates

Parkinson's disease is a neurodegenerative disorder involving a functional protein, α-synuclein, whose primary function is related to vesicle trafficking. However, α-synuclein is prone to form aggregates, and these inclusions, known as Lewy bodies, are the hallmark of Parkinson's disease. α-synuclein can alter its conformation and acquire aggregating capacity, forming aggregates containing β-sheets. This protein's pathogenic importance is based on its ability to form oligomers that impair synaptic transmission and neuronal function by increasing membrane permeability and altering homeostasis, generating a deleterious effect over cells. First, we establish that oligomers interfere with the mechanical properties of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) membrane, as demonstrated by nanoindentation curves. In contrast, nanoindentation revealed that the α-synuclein monomer's presence leads to a much more resistant lipid bilayer. Moreover, the oligomers’ interaction with cell membranes can promote lactate dehydrogenase (LDH) release, suggesting the activation of cytotoxic events.     

Screen Printable Sol-Gel Materials for High-Throughput Borosilicate Glass Film Production

The use of sol-gel materials can simplify the industrial fabrication of high-efficiency silicon solar cells if a suitable deposition method is established. In this work, we investigate the possibilities to adapt a borosilicate glass sol-gel to provide a stable screen printing process. This material has previously been used as a boron dopant source for silicon solar cells. We now use an adjusted synthesis process, with an increased gelling time and different additives. This changes the rheological properties (i.e., the elastic and viscous moduli G′ and G″) in a way that avoids the dripping of paste through the screen and that stabilizes the material transfer in subsequent printing steps. Using this synthesis process, we were able to show a printing process with long-term stability of more than 500 prints. When comparing the adjusted to the initial paste, we show that, after thermal treatment, the obtained thin films are very similar in terms of their constitution, with a refractive index between n = 1.47 (initial) and n = 1.55 (adjusted). We also show that they provide the same amount of doping under the tested conditions (950 °C, 30 min), resulting in sheet resistances of R_□ = (42.5 ± 2.6) Ω/□ (initial) and R_□ = (46.4 ± 3.6) Ω/□ (adjusted).     

Operator algebras and a theorem of Dieudonne

LetA be aC*-algebra with second dualA″. Let (φ _n)(n=1,...) be a sequence in the dual ofA such that limφ _n(a) exists for eacha εA. In general, this does not imply that limφ _n(x) exists for eachx εA″. But if limφ _n(p) exists whenever p is the range projection of a positive self-adjoint element of the unit ball ofA, then it is shown that limφ _n(x) does exist for eachx inA″. This is a non-commutative generalisation of a celebrated theorem of Dieudonné. A new proof of Dieudonné’s theorem, for positive measures, is given here. The proof of the main result makes use of Dieudonné’s original theorem.     

On the encapsulation of nickel clusters by molecular nitrogen

The structures and energetic effects of molecular nitrogen adsorbates on nickel clusters are investigated using an extended Huckel model coupled with two models of the adsorbate-nickel interaction. The potential parameters for the adsorbates are chosen to mimic experimental information about the binding strength of nitrogen on both cluster and bulk surface phases of nickel. The first model potential is a simple Lennard-Jones interaction that leads to binding sites in holes defined by sets of near-neighbor nickel atoms. The second model potential has a simple three-body form that forces the model nitrogen adsorbates to bind directly to single nickel atoms. Significant rearrangement of the core nickel structures are found in both models. A disconnectivity graph analysis of the potential energy surfaces implies that the rearrangements arise from low transition state barriers and the small differences between available isomers in the nickel core.