Sub-surface Oxygen and Surface Oxide Formation at Ag(111): A Density-functional Theory Investigation

To help provide insight into the remarkable catalytic behavior of the oxygen/silver system for heterogeneous oxidation reactions, purely sub-surface oxygen, and structures involving both on-surface and sub-surface oxygen, as well as oxide-like structures at the Ag(111) surface have been studied for a wide range of coverages and adsorption sites using density-functional theory. Adsorption on the surface in fcc sites is energetically favorable for low coverages, while for higher coverage a thin surface-oxide structure is energetically favorable. This structure has been proposed to correspond to the experimentally observed (4x4) phase. With increasing O concentrations, thicker oxide-like structures resembling compressed Ag2O(111) surfaces are energetically favored. Due to the relatively low thermal stability of these structures, and the very low sticking probability of O2 at Ag(111), their formation and observation may require the use of atomic oxygen (or ozone, O3) and low temperatures. We also investigate diffusion of O into the sub-surface region at low coverage (0.11 ML), and the effect of surface Ag vacancies in the adsorption of atomic oxygen and ozone-like species. The present studies, together with our earlier investigations of on-surface and surface-substitutional adsorption, provide a comprehensive picture of the behavior and chemical nature of the interaction of oxygen and Ag(111), as well as of the initial stages of oxide formation.Comment: 17 pages including 14 figures, Related publications can be found at http://www.fhi-berlin.mpg.de/th/paper.htm

The bipolar outflow and disk of the brown dwarf ISO217

We show that the very young brown dwarf candidate ISO217 (M6.25) is driving an intrinsically asymmetric bipolar outflow with a stronger and slightly faster red-shifted component based on spectro-astrometry of forbidden [SII] emission lines observed in UVES/VLT spectra taken in 2009. ISO217 is only one of a handful of brown dwarfs and VLMS (M5-M8) for which an outflow has been detected and that show that the T Tauri phase continues at the substellar limit. We measure a spatial extension of the outflow of +/-190mas (+/-30AU) and velocities of +/-40-50kms/s. We show that the velocity asymmetry between both lobes is variable on timescales of a few years and that the strong asymmetry of a factor of 2 found in 2007 might be smaller than originally anticipated when using a more realistic stellar rest-velocity. We also detect forbidden [FeII]7155 emission, for which we propose as potential origin the hot inner regions of the outflow. To understand the ISO217 system, we determine the disk properties based on radiative transfer modeling of the SED. This disk model agrees very well with Herschel/PACS data at 70mu. We find that the disk is flared and intermediately inclined (~45deg). The total disk mass (4e-6 Msun) is small compared to the accretion and outflow rate of ISO217 (~1e-10 Msun/yr). We propose that this discrepancy can be explained by either a higher disk mass than inferred from the model (strong undetected grain growth) and/or by an on average lower accretion and outflow rate than the determined values. We show that a disk inclination significantly exceeding 45deg, as suggested from Halpha modeling and from both lobes of the outflow being visible, is inconsistent with the SED data. Thus, despite its intermediate inclination angle, the disk of this brown dwarf does not appear to obscure the red outflow component, which is very rarely seen for T Tauri objects (only one other case).Comment: Accepted for publication at A&A; minor changes (language editing

A non-cell autonomous mouse model of CNS haemangioblastoma mediated by mutant KRAS

Haemangioblastoma is a rare malignancy of the CNS where vascular proliferation causes lesions due to endothelial propagation. We found that conditionally expressing mutant Kras, using Rag1-Cre, gave rise to CNS haemangioblastoma in the cortex and cerebellum in mice that present with highly vascular tumours with stromal cells similar to human haemangioblastomas. The aberrant haemangioblastoma endothelial cells do not express mutant Kras but rather the mutant oncogene is expressed in CNS interstitial cells, including neuronal cells and progeny. This demonstrates a non-cell autonomous origin of this disease that is unexpectedly induced via Rag1-Cre expression in CNS interstitial cells. This is the first time that mutant RAS has been shown to stimulate non-cell autonomous proliferation in malignancy and suggests that mutant RAS can control endothelial cell proliferation in neo-vascularisation when expressed in certain cells.This work was supported by grants from the Medical Research Council (MR/J000612/1), the Wellcome Trust (099246/Z/12/Z) and Bloodwise (12051)

Discovery of long-period variable stars in the very-metal-poor globular cluster M15

We present a search for long-period variable (LPV) stars among giant branch stars in M15 which, at [Fe/H] ~ -2.3, is one of the most metal-poor Galactic globular clusters. We use multi-colour optical photometry from the 0.6-m Keele Thornton and 2-m Liverpool Telescopes. Variability of delta-V ~ 0.15 mag is detected in K757 and K825 over unusually-long timescales of nearly a year, making them the most metal-poor LPVs found in a Galactic globular cluster. K825 is placed on the long secondary period sequence, identified for metal-rich LPVs, though no primary period is detectable. We discuss this variability in the context of dust production and stellar evolution at low metallicity, using additional spectra from the 6.5-m Magellan (Las Campanas) telescope. A lack of dust production, despite the presence of gaseous mass loss raises questions about the production of dust and the intra-cluster medium of this cluster.Comment: 13 pages, 9 figures, accepted by MNRA

Absence of hysteresis at the Mott-Hubbard metal-insulator transition in infinite dimensions

The nature of the Mott-Hubbard metal-insulator transition in the infinite-dimensional Hubbard model is investigated by Quantum Monte Carlo simulations down to temperature T=W/140 (W=bandwidth). Calculating with significantly higher precision than in previous work, we show that the hysteresis below T_{IPT}\simeq 0.022W, reported in earlier studies, disappears. Hence the transition is found to be continuous rather than discontinuous down to at least T=0.325T_{IPT}. We also study the changes in the density of states across the transition, which illustrate that the Fermi liquid breaks down before the gap opens.Comment: 4 pages, 4 eps-figures using epsf.st

Microscopic study of freeze-out in relativistic heavy ion collisions at SPS energies

The freeze-out conditions in the light (S+S) and heavy (Pb+Pb) colliding systems of heavy nuclei at 160 AGeV/$c$ are analyzed within the microscopic Quark Gluon String Model (QGSM). We found that even for the most heavy systems particle emission takes place from the whole space-time domain available for the system evolution, but not from the thin ''freeze-out hypersurface", adopted in fluid dynamical models. Pions are continuously emitted from the whole volume of the reaction and reflect the main trends of the system evolution. Nucleons in Pb+Pb collisions initially come from the surface region. For both systems there is a separation of the elastic and inelastic freeze-out. The mesons with large transverse momenta, $p_t$, are predominantly produced at the early stages of the reaction. The low $p_t$-component is populated by mesons coming mainly from the decay of resonances. This explains naturally the decreasing source sizes with increasing $p_t$, observed in HBT interferometry. Comparison with S+S and Au+Au systems at 11.6 AGeV/$c$ is also presented.Comment: REVTEX, 26 pages incl. 9 figures and 2 tables, to be published in the Physical Review

Gravitational Lensing by Black Holes

We review the theoretical aspects of gravitational lensing by black holes, and discuss the perspectives for realistic observations. We will first treat lensing by spherically symmetric black holes, in which the formation of infinite sequences of higher order images emerges in the clearest way. We will then consider the effects of the spin of the black hole, with the formation of giant higher order caustics and multiple images. Finally, we will consider the perspectives for observations of black hole lensing, from the detection of secondary images of stellar sources and spots on the accretion disk to the interpretation of iron K-lines and direct imaging of the shadow of the black hole.Comment: Invited article for the GRG special issue on lensing (P. Jetzer, Y. Mellier and V. Perlick Eds.). 31 pages, 12 figure

Muon Spin Relaxation Study of (La, Ca)MnO3

We report predominantly zero field muon spin relaxation measurements in a series of Ca-doped LaMnO_3 compounds which includes the colossal magnetoresistive manganites. Our principal result is a systematic study of the spin-lattice relaxation rates 1/T_1 and magnetic order parameters in the series La_{1-x}Ca_xMnO_3, x = 0.0, 0.06, 0.18, 0.33, 0.67 and 1.0. In LaMnO_3 and CaMnO_3 we find very narrow critical regions near the Neel temperatures T_N and temperature independent 1/T_1 values above T_N. From the 1/T_1 in LaMnO_3 we derive an exchange integral J = 0.83 meV which is consistent with the mean field expression for T_N. All of the doped manganites except CaMnO_3 display anomalously slow, spatially inhomogeneous spin-lattice relaxation below their ordering temperatures. In the ferromagnetic (FM) insulating La_{0.82}Ca_{0.18}MnO_3 and ferromagnetic conducting La_{0.67}Ca_{0.33}MnO_3 systems we show that there exists a bi-modal distribution of \muSR rates \lambda_f and \lambda_s associated with relatively 'fast' and 'slow' Mn fluctuation rates, respectively. A physical picture is hypothesized for these FM phases in which the fast Mn rates are due to overdamped spin waves characteristic of a disordered FM, and the slower Mn relaxation rates derive from distinct, relatively insulating regions in the sample. Finally, likely muon sites are identified, and evidence for muon diffusion in these materials is discussed.Comment: 21 pages, 17 figure

Insights into the function of silver as an oxidation catalyst by ab initio, atomistic thermodynamics

To help understand the high activity of silver as an oxidation catalyst, e.g., for the oxidation of ethylene to epoxide and the dehydrogenation of methanol to formaldehyde, the interaction and stability of oxygen species at the Ag(111) surface has been studied for a wide range of coverages. Through calculation of the free energy, as obtained from density-functional theory and taking into account the temperature and pressure via the oxygen chemical potential, we obtain the phase diagram of O/Ag(111). Our results reveal that a thin surface-oxide structure is most stable for the temperature and pressure range of ethylene epoxidation and we propose it (and possibly other similar structures) contains the species actuating the catalysis. For higher temperatures, low coverages of chemisorbed oxygen are most stable, which could also play a role in oxidation reactions. For temperatures greater than about 775 K there are no stable oxygen species, except for the possibility of O atoms adsorbed at under-coordinated surface sites Our calculations rule out thicker oxide-like structures, as well as bulk dissolved oxygen and molecular ozone-like species, as playing a role in the oxidation reactions.Comment: 15 pages including 9 figures, Related publications can be found at http://www.fhi-berlin.mpg.de/th/paper.htm

Broad-Spectrum Antiviral Therapeutics

Currently there are relatively few antiviral therapeutics, and most which do exist are highly pathogen-specific or have other disadvantages. We have developed a new broad-spectrum antiviral approach, dubbed Double-stranded RNA (dsRNA) Activated Caspase Oligomerizer (DRACO) that selectively induces apoptosis in cells containing viral dsRNA, rapidly killing infected cells without harming uninfected cells. We have created DRACOs and shown that they are nontoxic in 11 mammalian cell types and effective against 15 different viruses, including dengue flavivirus, Amapari and Tacaribe arenaviruses, Guama bunyavirus, and H1N1 influenza. We have also demonstrated that DRACOs can rescue mice challenged with H1N1 influenza. DRACOs have the potential to be effective therapeutics or prophylactics for numerous clinical and priority viruses, due to the broad-spectrum sensitivity of the dsRNA detection domain, the potent activity of the apoptosis induction domain, and the novel direct linkage between the two which viruses have never encountered.National Institute of Allergy and Infectious Diseases (U.S.) (grant AI057159)New England Regional Center of Excellence for Biodefense and Emerging Infectious DiseasesUnited States. Dept. of Defense (Director of Defense Research & Engineering)United States. Defense Threat Reduction AgencyUnited States. Defense Advanced Research Projects Agenc