Inelastic Scattering in Metal-H2-Metal Junctions

We present first-principles calculations of the dI/dV characteristics of an H2 molecule sandwiched between Au and Pt electrodes in the presence of electron-phonon interactions. The conductance is found to decrease by a few percentage at threshold voltages corresponding to the excitation energy of longitudinal vibrations of the H2 molecule. In the case of Pt electrodes, the transverse vibrations can mediate transport through otherwise non-transmitting Pt $d$-channels leading to an increase in the differential conductance even though the hydrogen junction is characterized predominately by a single almost fully open transport channel. In the case of Au, the transverse modes do not affect the dI/dV because the Au d-states are too far below the Fermi level. A simple explanation of the first-principles results is given using scattering theory. Finally, we compare and discuss our results in relation to experimental data.Comment: Accepted in Phys. Rev.

Amine-Gold Linked Single-Molecule Junctions: Experiment and Theory

The measured conductance distribution for single molecule benzenediamine-gold junctions, based on 59,000 individual conductance traces recorded while breaking a gold point contact in solution, has a clear peak at 0.0064 G$_{0}$ with a width of $\pm$ 40%. Conductance calculations based on density functional theory (DFT) for 15 distinct junction geometries show a similar spread. Differences in local structure have a limited influence on conductance because the amine-Au bonding motif is well-defined and flexible. The average calculated conductance (0.046 G$_{0}$) is seven times larger than experiment, suggesting the importance of many-electron corrections beyond DFT

KIC 8410637: a 408-day period eclipsing binary containing a pulsating red giant

Detached eclipsing binaries (dEBs) are ideal targets for accurate measurement of masses and radii of ther component stars. If at least one of the stars has evolved off the main sequence (MS), the masses and radii give a strict constraint on the age of the stars. Several dEBs containing a bright K giant and a fainter MS star have been discovered by the Kepler satellite. The mass and radius of a red giant (RG) star can also be derived from its asteroseismic signal. The parameters determined in this way depend on stellar models and may contain systematic errors. It is important to validate the asteroseismically determined mass and radius with independent methods. This can be done when stars are members of stellar clusters or members of dEBs. KIC 8410637 consists of an RG and an MS star. The aim is to derive accurate masses and radii for both components and provide the foundation for a strong test of the asteroseismic method and the accuracy of the deduced mass, radius and age. We analyse high-resolution spectra from three different spectrographs. We also calculate a fit to the Kepler light curve and use ground-based photometry to determine the flux ratios between the component stars in the BVRI passbands. We measured the masses and radii of the stars in the dEB, and the classical parameters Teff, log g and [Fe/H] from the spectra and ground-based photometry. The RG component of KIC 8410637 is most likely in the core helium-burning red clump phase of evolution and has an age and composition very similar to the stars in the open cluster NGC 6819. The mass of the RG in KIC 8410637 should therefore be similar to the mass of RGs in NGC 6819, thus lending support to the most up-to-date version of the asteroseismic scaling relations. This is the first direct measurement of both mass and radius for an RG to be compared with values for RGs from asteroseismic scaling relations.Comment: Accepted 20.6.2013 for publication in Astronomy and Astrophysic

Prognostic microRNAs in high-grade glioma reveal a link to oligodendrocyte precursor differentiation.

MicroRNA expression can be exploited to define tumor prognosis and stratification for precision medicine. It remains unclear whether prognostic microRNA signatures are exclusively tumor grade and/or molecular subtype-specific, or whether common signatures of aggressive clinical behavior can be identified. Here, we defined microRNAs that are associated with good and poor prognosis in grade III and IV gliomas using data from The Cancer Genome Atlas. Pathway analysis of microRNA targets that are differentially expressed in good and poor prognosis glioma identified a link to oligodendrocyte development. Notably, a microRNA expression profile that is characteristic of a specific oligodendrocyte precursor cell type (OP1) correlates with microRNA expression from 597 of these tumors and is consistently associated with poor patient outcome in grade III and IV gliomas. Our study reveals grade-independent and subtype-independent prognostic molecular signatures in high-grade glioma and provides a framework for investigating the mechanisms of brain tumor aggressiveness

KIC 4768731: a bright long-period roAp star in theKeplerfield

We report the identification of 61.45 d−1 (711.2 μHz) oscillations, with amplitudes of 62.6 μmag, in KIC 4768731 (HD 225914) using Kepler photometry. This relatively bright (V = 9.17) chemically peculiar star with spectral type A5 Vp SrCr(Eu) has previously been found to exhibit rotational modulation with a period of 5.21 d. Fourier analysis reveals a simple dipole pulsator with an amplitude that has remained stable over a 4-yr time span, but with a frequency that is variable. Analysis of high-resolution spectra yields stellar parameters of Teff = 8100 ± 200 K, log g = 4.0 ± 0.2, [Fe/H] = +0.31 ± 0.24 and v sin i = 14.8 ± 1.6 km s−1. Line profile variations caused by rotation are also evident. Lines of Sr, Cr, Eu, Mg and Si are strongest when the star is brightest, while Y and Ba vary in antiphase with the other elements. The abundances of rare earth elements are only modestly enhanced compared to other roAp stars of similar Teff and log g. Radial velocities in the literature suggest a significant change over the past 30 yr, but the radial velocities presented here show no significant change over a period of 4 yr

Stretching dependence of the vibration modes of a single-molecule Pt-H2-Pt bridge

A conducting bridge of a single hydrogen molecule between Pt electrodes is formed in a break junction experiment. It has a conductance near the quantum unit, G_0 = 2e^2/h, carried by a single channel. Using point contact spectroscopy three vibration modes are observed and their variation upon stretching and isotope substitution is obtained. The interpretation of the experiment in terms of a Pt-H_2-Pt bridge is verified by Density Functional Theory calculations for the stability, vibrational modes, and conductance of the structure.Comment: 5 pages, 4 figure

Sounding stellar cycles with Kepler - II. Ground-based observations

We have monitored 20 Sun-like stars in the Kepler field-of-view for excess flux with the FIES spectrograph on the Nordic Optical Telescope since the launch of Kepler spacecraft in 2009. These 20 stars were selected based on their asteroseismic properties to sample the parameter space (effective temperature, surface gravity, activity level etc.) around the Sun. Though the ultimate goal is to improve stellar dynamo models, we focus the present paper on the combination of space-based and ground-based observations can be used to test the age-rotation-activity relations. In this paper we describe the considerations behind the selection of these 20 Sun-like stars and present an initial asteroseismic analysis, which includes stellar age estimates. We also describe the observations from the Nordic Optical Telescope and present mean values of measured excess fluxes. These measurements are combined with estimates of the rotation periods obtained from a simple analysis of the modulation in photometric observations from Kepler caused by starspots, and asteroseismic determinations of stellar ages, to test relations between between age, rotation and activity.Comment: Accepted for publication in MNRA

Self-Reported Long COVID in the General Population: Sociodemographic and Health Correlates in a Cross-National Sample.

We aimed to gain knowledge of possible sociodemographic predictors of long COVID and whether long COVID was associated with health outcomes almost two years after the pandemic outbreak. There were 1649 adults who participated in the study by completing a cross-sectional online survey disseminated openly in Norway, the UK, the USA, and Australia between November 2021 and January 2022. Participants were defined as having long COVID based on self-reports that they had been infected by COVID-19 and were experiencing long-lasting COVID symptoms. Logistic regression analyses were used to examine possible sociodemographic predictors, and multivariate analysis of variance was used to examine whether long COVID status was associated with health outcomes. None of the sociodemographic variables was significantly associated with reporting long COVID. Having long COVID was associated with higher levels of psychological distress, fatigue, and perceived stress. The effect of long COVID on health outcomes was greater among men than among women. In conclusion, long COVID appeared across sociodemographic groups. People with long COVID reported worsened health outcomes compared to those who had had COVID-19 but without long-term symptoms. Men experiencing long COVID appear to be particularly vulnerable to experiencing poorer health outcomes; health services may pay extra attention to potentially unnoticed needs for support among men experiencing long COVID

Electronic shell structure and chemisorption on gold nanoparticles

We use density functional theory (DFT) to investigate the electronic structure and chemical properties of gold nanoparticles. Different structural families of clusters are compared. For up to 60 atoms we optimize structures using DFT-based simulated annealing. Cluster geometries are found to distort considerably, creating large band gaps at the Fermi level. For up to 200 atoms we consider structures generated with a simple EMT potential and clusters based on cuboctahedra and icosahedra. All types of cluster geometry exhibit jellium-like electronic shell structure. We calculate adsorption energies of several atoms on the cuboctahedral clusters. Adsorption energies are found to vary abruptly at magic numbers. Using a Newns-Anderson model we find that the effect of magic numbers on adsorption energy can be understood from the location of adsorbate-induced states with respect to the cluster Fermi level.Comment: 14 pages, 18 figure