Modeling chemistry in and above snow at Summit, Greenland – Part 1: Model description and results

Sun-lit snow is increasingly recognized as a chemical reactor that plays an active role in uptake, transformation, and release of atmospheric trace gases. Snow is known to influence boundary layer air on a local scale, and given the large global surface coverage of snow may also be significant on regional and global scales. We present a new detailed one-dimensional snow chemistry module that has been coupled to the 1-D atmospheric boundary layer model MISTRA. The new 1-D snow module, which is dynamically coupled to the overlaying atmospheric model, includes heat transport in the snowpack, molecular diffusion, and wind pumping of gases in the interstitial air. The model includes gas phase chemical reactions both in the interstitial air and the atmosphere. Heterogeneous and multiphase chemistry on atmospheric aerosol is considered explicitly. The chemical interaction of interstitial air with snow grains is simulated assuming chemistry in a liquid-like layer (LLL) on the grain surface. The coupled model, referred to as MISTRA-SNOW, was used to investigate snow as the source of nitrogen oxides (NOx) and gas phase reactive bromine in the atmospheric boundary layer in the remote snow covered Arctic (over the Greenland ice sheet) as well as to investigate the link between halogen cycling and ozone depletion that has been observed in interstitial air. The model is validated using data taken 10 June–13 June, 2008 as part of the Greenland Summit Halogen-HOx experiment (GSHOX). The model predicts that reactions involving bromide and nitrate impurities in the surface snow can sustain atmospheric NO and BrO mixing ratios measured at Summit, Greenland during this period

Formation of dispersive hybrid bands at an organic-metal interface

An electronic band with quasi-one dimensional dispersion is found at the interface between a monolayer of a charge-transfer complex (TTF-TCNQ) and a Au(111) surface. Combined local spectroscopy and numerical calculations show that the band results from a complex mixing of metal and molecular states. The molecular layer folds the underlying metal states and mixes with them selectively, through the TTF component, giving rise to anisotropic hybrid bands. Our results suggest that, by tuning the components of such molecular layers, the dimensionality and dispersion of organic-metal interface states can be engineered

Luttinger parameters and momentum distribution function for the half-filled spinless fermion Holstein model: A DMRG approach

We reexamine the nature of the metallic phase of the one-dimensional half-filled Holstein model of spinless fermions. To this end we determine the Tomonaga-Luttinger-liquid correlation parameter $K_\rho$ by large-scale density-matrix renormalisation-group (DMRG) calculations, exploiting (i) the leading-order scaling relations between the ground-state energy and the single-particle excitation gap and (ii) the static charge structure factor in the long-wavelength limit. While both approaches give almost identical results for intermediate-to-large phonon frequencies, we find contrasting behaviour in the adiabatic regime: (i) $K_\rho>1$ (attractive) versus (ii) $K_\rho<1$ (repulsive). The latter result for the correlation exponent is corroborated by data obtained for the momentum distribution function $n(k)$, which puts the existence of an attractive metallic state in the spinless fermion Holstein model into question. We conclude that the scaling relation must be modified in the presence of electron-phonon interactions with noticeable retardation.Comment: 6 pages, 5 figures, revised versio

Structural instability associated with the tilting of CuO6 octahedra in La2-xSrxCuO4

Comprehensive inelastic neutron-scattering measurements were performed to study the soft optical phonons in La2-xSrxCuO4 at x=0.10, 0.12 and 0.18. We found at x=0.18 that the softening of Z-point phonon, suggesting incipient structural transition from the low-temperature orthorhombic (LTO) to low-temperature tetragonal (LTT) phase, breaks at Tc, which is consistent with the previous report by Lee et al. for the optimally doped x=0.15 sample. As for x=0.10 and 0.12, on the other hand, the softening continues even below Tc. It is thus clarified that the breaking of soft phonon is characteristic of La2-xSrxCuO4 in the optimally and overdoped regions. In the course of studying the soft phonons, we discovered that a central peak remains above the LTO to high-temperature tetragonal (HTT) phase transition at Ts1 and splits into incommensurate components along the (1 1 0)HTT direction at higher temperatures. This is a common feature for both x=0.12 and 0.18 and their temperature dependences of the splitting 2d can be scaled by using a renormalized temperature T/Ts1. In the high temperature limit, d saturates around d ~ 0.12 r.l.u., which value is close to the splitting of incommensurate magnetic signals. This implies that the incipient lattice modulation starts appearing at very high temperature. Details of this modulation and its relations with other properties are, however, not yet clarified.Comment: 7 pages, 5 eps figure

The N2K Consortium. II. A Transiting Hot Saturn Around HD 149026 With a Large Dense Core

Doppler measurements from Subaru and Keck have revealed radial velocity variations in the V=8.15, G0IV star HD 149026 consistent with a Saturn-Mass planet in a 2.8766 day orbit. Photometric observations at Fairborn Observatory have detected three complete transit events with depths of 0.003 mag at the predicted times of conjunction. HD 149026 is now the second brightest star with a transiting extrasolar planet. The mass of the star, based on interpolation of stellar evolutionary models, is 1.3 +/- 0.1 solar masses; together with the Doppler amplitude, K=43.3 m s^-1, we derive a planet mass Msin(i)=0.36 Mjup, and orbital radius of 0.042 AU. HD 149026 is chromospherically inactive and metal-rich with spectroscopically derived [Fe/H]=+0.36, Teff=6147 K, log g=4.26 and vsin(i)=6.0 km s^-1. Based on Teff and the stellar luminosity of 2.72 Lsun, we derive a stellar radius of 1.45 Rsun. Modeling of the three photometric transits provides an orbital inclination of 85.3 +/- 1.0 degrees and (including the uncertainty in the stellar radius) a planet radius of 0.725 +/- 0.05 Rjup. Models for this planet mass and radius suggest the presence of a ~67 Mearth core composed of elements heavier than hydrogen and helium. This substantial planet core would be difficult to construct by gravitational instability.Comment: 25 pages, 5 figures, accepted by the Astrophysical Journa

LINE-1 Hypomethylation in Cancer Is Highly Variable and Inversely Correlated with Microsatellite Instability

BACKGROUND: Alterations in DNA methylation in cancer include global hypomethylation and gene-specific hypermethylation. It is not clear whether these two epigenetic errors are mechanistically linked or occur independently. This study was performed to determine the relationship between DNA hypomethylation, hypermethylation and microsatellite instability in cancer. METHODOLOGY/PRINCIPAL FINDINGS: We examined 61 cancer cell lines and 60 colorectal carcinomas and their adjacent tissues using LINE-1 bisulfite-PCR as a surrogate for global demethylation. Colorectal carcinomas with sporadic microsatellite instability (MSI), most of which are due to a CpG island methylation phenotype (CIMP) and associated MLH1 promoter methylation, showed in average no difference in LINE-1 methylation between normal adjacent and cancer tissues. Interestingly, some tumor samples in this group showed increase in LINE-1 methylation. In contrast, MSI-showed a significant decrease in LINE-1 methylation between normal adjacent and cancer tissues (P<0.001). Microarray analysis of repetitive element methylation confirmed this observation and showed a high degree of variability in hypomethylation between samples. Additionally, unsupervised hierarchical clustering identified a group of highly hypomethylated tumors, composed mostly of tumors without microsatellite instability. We extended LINE-1 analysis to cancer cell lines from different tissues and found that 50/61 were hypomethylated compared to peripheral blood lymphocytes and normal colon mucosa. Interestingly, these cancer cell lines also exhibited a large variation in demethylation, which was tissue-specific and thus unlikely to be resultant from a stochastic process. CONCLUSION/SIGNIFICANCE: Global hypomethylation is partially reversed in cancers with microsatellite instability and also shows high variability in cancer, which may reflect alternative progression pathways in cancer

Dynamics of a deformable self-propelled particle under external forcing

We investigate dynamics of a self-propelled deformable particle under external field in two dimensions based on the model equations for the center of mass and a tensor variable characterizing deformations. We consider two kinds of external force. One is a gravitational-like force which enters additively in the time-evolution equation for the center of mass. The other is an electric-like force supposing that a dipole moment is induced in the particle. This force is added to the equation for the deformation tensor. It is shown that a rich variety of dynamics appears by changing the strength of the forces and the migration velocity of self-propelled particle