Reversible enhancement of the magnetism of ultrathin Co films by H adsorption

By means of ab initio calculations, we have investigated the effect of H adsorption in the structural, electronic and magnetic properties of ultrathin Co films on Ru(0001). Our calculations predict that H occupies hollow sites preserving the two-dimensional 3-fold symmetry. The formation of a complete H overlayer leads to a very stable surface with strong H-Co bonds. H tends to suppress surface features, in particular, the enhancement of the magnetic moments of the bare film. The H-induced effects are mostly confined to the Co atoms bonded to H, independent of the H coverage or of the thickness and the structure of the Co film. However, for partial H coverages a significant increase occurs in the magnetic moment for the surface Co atoms not bonded to H, leading to a net enhancement of surface magnetism.Comment: 6 pages, 4 figures, 3 table

One size fits ball: Macrocyclic hosts for fullerenes with micromolar affinity

Date du colloque : 25/03/2012International audienc

Assessment of the corneal collagen organization after chemical burn using second harmonic generation microscopy

The organization of the corneal stoma is modified due to different factors, including pathology, surgery or external damage. Here the changes in the organization of the corneal collagen fibers during natural healing after chemical burn are investigated using second harmonic generation (SHG) imaging. Moreover, the structure tensor (ST) was used as an objective tool for morphological analyses at different time points after burn (up to 6 months). Unlike control corneas that showed a regular distribution, the collagen pattern at 1 month of burn presented a non-organized arrangement. SHG signal levels noticeably decreased and individual fibers were hardly visible. Over time, the healing process led to a progressive re-organization of the fibers that could be quantified through the ST. At 6 months, the stroma distribution reached values similar to those of control eyes and a dominant direction of the fibers re-appeared. The present results show that SHG microscopy imaging combined with the ST method is able to objectively monitor the temporal regeneration of the corneal organization after chemical burn. Future implementations of this approach into clinically adapted devices would help to diagnose and quantify corneal changes, not only due to chemical damages, but also as a result of disease or surgical procedures

Design of a case management model for people with chronic disease (Heart Failure and COPD). Phase I: modeling and identification of the main components of the intervention through their actors: patients and professionals (DELTA-ICE-PRO Study

Background Chronic diseases account for nearly 60% of deaths around the world. The extent of this silent epidemic has not met determined responses in governments, policies or professionals in order to transform old Health Care Systems, configured for acute diseases. There is a large list of research about alternative models for people with chronic conditions, many of them with an advanced practice nurse as a key provider, as case management. But some methodological concerns raise, above all, the design of the intervention (intensity, frequency, components, etc). Methods/Design Objectives: General: To develop the first and second phases (theorization and modeling) for designing a multifaceted case-management intervention in people with chronic conditions (COPD and heart failure) and their caregivers. Specific aims: 1) To identify key events in people living with chronic disease and their relation with the Health Care System, from their point of view. 2) To know the coping mechanisms developed by patients and their caregivers along the story with the disease. 3) To know the information processing and its utilization in their interactions with health care providers. 4) To detect potential unmet needs and the ways deployed by patients and their caregivers to resolve them. 5) To obtain a description from patients and caregivers, about their itineraries along the Health Care System, in terms of continuity, accessibility and comprehensiveness of care. 6) To build up a list of promising case-management interventions in patients with Heart Failure and COPD with this information in order to frame it into theoretical models for its reproducibility and conceptualization. 7) To undergo this list to expert judgment to assess its feasibility and pertinence in the Andalusian Health Care. Design: Qualitative research with two phases: For the first five objectives, a qualitative technique with biographic stories will be developed and, for the remaining objectives, an expert consensus through Delphi technique, on the possible interventions yielded from the first phase. The study will be developed in the provinces of Almería, Málaga and Granada in the Southern Spain, from patients included in the Andalusian Health Care Service database with the diagnosis of COPD or Heart Failure, with the collaboration of case manager nurses and general practitioners for the assessment of their suitability to inclusion criteria. Patients and caregivers will be interviewed in their homes or their Health Centers, with their family or their case manager nurse as mediator. Discussion First of a series of studies intended to design a case-management service for people with heart failure and COPD, in the Andalusian Health Care System, where case management has been implemented since 2002. Accordingly with the steps of a theoretical model for complex interventions, in this study, theorization and intervention modeling phases will be developed.This research was carried out with the support of one research grant, awarded by the Regional Health Ministry of Andalusia (Exp. 0222/2008

Experimental estimation of the dimension of classical and quantum systems

An overwhelming majority of experiments in classical and quantum physics make a priori assumptions about the dimension of the system under consideration. However, would it be possible to assess the dimension of a completely unknown system only from the results of measurements performed on it, without any extra assumption? The concept of a dimension witness answers this question, as it allows one to bound the dimension of an unknown classical or quantum system in a device-independent manner, that is, only from the statistics of measurements performed on it. Here, we report on the experimental demonstration of dimension witnesses in a prepare and measure scenario. We use pairs of photons entangled in both polarization and orbital angular momentum to generate ensembles of classical and quantum states of dimensions up to 4. We then use a dimension witness to certify their dimensionality as well as their quantum nature. Our results open new avenues for the device-independent estimation of unknown quantum systems and for applications in quantum information science.Comment: See also similar, independent and jointly submitted work of J. Ahrens et al., quant-ph/1111.127

Electronic Conductance and Thermopower of Cross-Conjugated and Skipped-Conjugated Molecules in Single-Molecule Junctions

We report a combined experimental and theoretical study of a series of thiomethyl (SMe) anchored cross-conjugated molecules featuring an acyclic central bridging ketone and their analogous skipped-conjugated alcohol derivatives. Studies of these molecules in a gold|single-molecule|gold junction using scanning tunneling microscopy-break junction techniques reveal a similar conductance (G) value for both the cross-conjugated molecules and their skipped-conjugated partners. Theoretical studies based on density functional theory of the molecules in their optimum geometries in the junction reveal the reason for this similarity in conductance, as the predicted conductance for the alcohol series of compounds varies more with the tilt angle. Thermopower measurements reveal a higher Seebeck coefficient (S) for the cross-conjugated ketone molecules relative to the alcohol derivatives, with a particularly high S for the biphenyl derivative 3a (−15.6 μV/K), an increase of threefold compared to its alcohol analog. The predicted behavior of the quantum interference (QI) in this series of cross-conjugated molecules is found to be constructive, though the appearance of a destructive QI feature for 3a is due to the degeneracy of the HOMO orbital and may explain the enhancement of the value of S for this molecule

HIFI observations of warm gas in DR21: Shock versus radiative heating

The molecular gas in the DR21 massive star formation region is known to be affected by the strong UV field from the central star cluster and by a fast outflow creating a bright shock. The relative contribution of both heating mechanisms is the matter of a long debate. By better sampling the excitation ladder of various tracers we provide a quantitative distinction between the different heating mechanisms. HIFI observations of mid-J transitions of CO and HCO+ isotopes allow us to bridge the gap in excitation energies between observations from the ground, characterizing the cooler gas, and existing ISO LWS spectra, constraining the properties of the hot gas. Comparing the detailed line profiles allows to identify the physical structure of the different components. In spite of the known shock-excitation of H2 and the clearly visible strong outflow, we find that the emission of all lines up to > 2 THz can be explained by purely radiative heating of the material. However, the new Herschel/HIFI observations reveal two types of excitation conditions. We find hot and dense clumps close to the central cluster, probably dynamically affected by the outflow, and a more widespread distribution of cooler, but nevertheless dense, molecular clumps.Comment: Accepted for publication by A&

Quantum interference dependence on molecular configurations for cross-conjugated systems in single-molecule junctions

We report a combined experimental and computational study of seven cross-conjugated enediyne derivatives functionalised with a pendant group (diphenyl, 9-fluorenyl, 9-thioxanthene or cyclohexyl) at the central alkene site, and with thiomethyl (SMe) or thioacetate, as protected thiol, (SAc) groups as anchors. Measurements of the conductance (G) and Seebeck coefficient (S) of gold|single-molecule|gold junctions were obtained using a modified scanning tunnelling microscope-break junction (STM-BJ) technique. It is shown that most of the molecules give multiple conductance plateaus ascribed to different molecular configurations inside the junction. The higher conductance plateaus are consistent with the aryl pendant units interacting with one of the gold electrodes, thereby circumventing transmission of electrons through the enediyne system; the lower conductance plateaus are consistent with anchoring of both of the terminal SMe or S units to the electrodes. Most of the compounds show a positive value of S in the range 3.7–12.7 μV K−1 indicating electronic transport through the HOMO, while one of them presents a negative value of S (−6.2 μV K−1) indicating a predominance of the LUMO in the electronic transport. Theoretical calculations using density functional theory show a destructive quantum interference (DQI) feature in the gap between the highest occupied and lowest unoccupied molecular orbitals (the HOMO–LUMO gap) for the lower conductance plateaus, supporting the trends observed in the experimental data

Uv-to-fir analysis of spitzer/irac sources in the extended groth strip i: Multi-wavelength photometry and spectral energy distributions

We present an IRAC 3.6+4.5 microns selected catalog in the Extended Groth Strip (EGS) containing photometry from the ultraviolet to the far-infrared and stellar parameters derived from the analysis of the multi-wavelength data. In this paper, we describe the method used to build coherent spectral energy distributions (SEDs) for all the sources. In a companion paper, we analyze those SEDs to obtain robust estimations of stellar parameters such as photometric redshifts, stellar masses, and star formation rates. The catalog comprises 76,936 sources with [3.6]<23.75 mag (85% completeness level of the IRAC survey in the EGS) over 0.48 square degrees. For approximately 16% of this sample, we are able to deconvolve the IRAC data to obtain robust fluxes for the multiple counterparts found in ground-based optical images. Typically, the SEDs of the IRAC sources in our catalog count with more than 15 photometric data points, spanning from the UV to the FIR. Approximately 95% and 90% of all IRAC sources are detected in the deepest optical and near-infrared bands. Only 10% of the sources have optical spectroscopy and redshift estimations. Almost 20% and 2% of the sources are detected by MIPS at 24 and 70 microns, respectively. We also cross-correlate our catalog with public X-ray and radio catalogs. Finally, we present the Rainbow Navigator public web-interface utility designed to browse all the data products resulting from this work, including images, spectra, photometry, and stellar parameters.Comment: 28 pages, 12 figures, Accepted for publication in ApJ. Access the Rainbow Database at: http://rainbowx.fis.ucm.e