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Fluorine adatoms on graphene induce local changes in electronic and magnetic properties, and subtle correlation effects. We investigate the GGA and GGA+U approaches as possible solutions to describe the magnetic moment and electronic band structure of graphene sheets with fluorine adatoms, and compare to experiments. We show that, due to a lack of strong electronic correlations, GGA fails to reproduce the measured magnetic moment in this structure. In particular, the GGA incorrectly predicts a nonmagnetic ground state with a zero band gap. On the other hand, GGA+U is a computationally efficient tool which provides physically reasonable properties. Using Hubbard U and exchange J parameters of 5 eV and 0.1 eV provides a magnetic moment and optical gap in agreement with experiments. Our results imply that the magnetic moment observed in the experiment is injected by fluorine in carbon pz orbitals throughout the graphene sheet. The spin- orbit coupling (SOC) has almost no influence (ca. 2%) on the magnetism. No Rashba effect is detected and the magnetic moment induced by fluorine strongly dominates the electronic properties. Our findings explain the anisotropic magnetic behavior observed experimentally., 9 pages, 7 figures

Large randomised trials have demonstrated that fibrinolytic therapy can reduce mortality in patients with suspected acute myocardial infarction (AMI). The indications for, and contraindications to, this treatment in some categories of patient are disputed, examples being late presentation, elderly patients, and those in cardiogenic shock. This overview aims to help resolve some of the remaining uncertainties. From all trials of fibrinolytic therapy versus control that randomised more than 1000 patients with suspected AMI, information was sought and checked on deaths during the first 5 weeks and on major adverse events occurring during hospitalisation. The nine trials included 58,600 patients, among whom 6177 (10.5%) deaths, 564 (1.0%) strokes, and 436 (0.7%) major non-cerebral bleeds were reported. Fibrinolytic therapy was associated with an excess of deaths during days 0-1 (especially among patients presenting more than 12 h after symptom onset, and in the elderly) but this was outweighed by a much larger benefit during days 2-35. This "early hazard" should not obscure the very clear overall survival advantage that is produced by fibrinolytic therapy. Benefit was observed among patients presenting with ST elevation or bundle-branch block (BBB)--irrespective of age, sex, blood pressure, heart rate, or previous history of myocardial infarction or diabetes--and was greater the earlier treatment began. Among the 45,000 patients presenting with ST elevation or BBB the relation between benefit and delay from symptom onset indicated highly significant absolute mortality reductions of about 30 per 1000 for those presenting within 0-6 h and of about 20 per 1000 for those presenting 7-12 h from onset, and a statistically uncertain benefit of about 10 per 1000 for those presenting at 13-18 h (with more randomised evidence needed in this latter group to assess reliably the net effects of treatment). Fibrinolytic therapy was associated with about 4 extra strokes per 1000 during days 0-1: of these, 2 were associated with early death and so were already accounted for in the overall mortality reduction, 1 was moderately or severely disabling, and 1 was not. This overview indicates that fibrinolytic therapy is beneficial in a much wider range of patients than is currently given such treatment routinely.

We investigate the harmonic and anharmonic contributions to the phonon spectrum of lead telluride, and perform a complete characterization of how the anharmonic effects dominate the phonons in PbTe as temperature increases. This effect is the strongest factor in the favorable thermoelectric properties of PbTe: an optical-acoustic phonon band crossing reduces the speed of sound and the intrinsic thermal conductivity. We present the detailed temperature dependence of the dispersion relation and compare our calculated neutron scattering cross section with recent experimental measurements. We analyze the thermal resistivity's variation with temperature and clarify misconceptions about existing experimental literature. This quantitative prediction opens the way to phonon phase space engineering, to tailor the lifetimes of crucial heat carrying phonons.

The patient room of the future would be able to sense the needs and preferences of the patients and nurses and adapt itself accordingly by combining all the heterogeneous data offered by the different technologies. This goal can be achieved by developing a context-aware framework, which exploits and integrates the heterogeneous data by utilizing a continuous care ontology. The existing ontology engineering methodologies are rather extreme in their choices to include domain experts. On the one hand, there are methodologies that only discuss the scope, use and requirements of the ontology with the domain experts. On the other hand, there are approaches in which the ontology is completely constructed by the domain experts by providing them with user-friendly and collaborative tools. In this paper, a participatory ontology engineering methodology is presented that finds a middle ground between these two extremes. The methodology actively involves social scientists, ontology engineers and stakeholders. The stakeholders participate in each step of the ontology life cycle without having to construct the ontology themselves or attribute a large amount of their time. The applicability of the methodology is illustrated by presenting the co-created continuous care ontology.

We present a local density approximation (LDA) for one-dimensional (1D) systems interacting via the soft-Coulomb interaction based on quantum Monte-Carlo calculations. Results for the ground-state energies and ionization potentials of finite 1D systems show excellent agreement with exact calculations, obtained by exploiting the mapping of an $N$-electron system in $d$ dimensions, onto a single electron in $N\times d$ dimensions properly symmetrized by the Young diagrams. We conclude that 1D LDA is of the same quality as its three-dimensional (3D) counterpart, and we infer conclusions about 3D LDA. The linear and non-linear time-dependent responses of 1D model systems using LDA, exact exchange, and the exact solution are investigated and show very good agreement in both cases, except for the well known problem of missing double excitations. Consequently, the 3D LDA is expected to be of good quality beyond linear response. In addition, the 1D LDA should prove useful in modeling the interaction of atoms with strong laser fields, where this specific 1D model is often used., Comment: 5 pages, 3 figures

We present an approach to estimate gross primary production (GPP) using a remotely sensed biophysical vegetation product (fraction of absorbed photosynthetically active radiation, FAPAR) from the European Commission Joint Research Centre (JRC) in conjunction with GPP estimates from eddy covariance measurement towers in Europe. By analysing the relationship between the cumulative growing season FAPAR and annual GPP by vegetation type, we find that the former can be used to accurately predict the latter. The root mean square error of prediction is of the order of 250 gC m−2 yr−1. The cumulative growing season FAPAR integrates over a number of effects relevant for GPP such as the length of the growing season, the vegetation's response to environmental conditions and the amount of light harvested that is available for photosynthesis. We corroborate the proposed GPP estimate (noted FAPAR‐based productivity assessment+land cover, FPA+LC) on the continental scale with results from the MOD17+radiation‐use efficiency model, an artificial neural network up‐scaling approach (ANN) and the Lund–Potsdam–Jena managed Land biosphere model (LPJmL). The closest agreement of the mean spatial GPP pattern among the four models is between FPA+LC and ANN (R2= 0.74). At least some of the discrepancy between FPA‐LC and the other models result from biases of meteorological forcing fields for MOD17+, ANN and LPJmL. Our analysis further implies that meteorological information is to a large degree redundant for GPP estimation when using the JRC‐FAPAR. A major advantage of the FPA+LC approach presented in this paper lies in its simplicity and that it requires no additional meteorological input driver data that commonly introduce substantial uncertainty. We find that results from different data‐oriented models may be robust enough to evaluate process‐oriented models regarding the mean spatial pattern of GPP, while there is too little consensus among the diagnostic models for such purpose regarding inter‐annual variability.

Many vegetation properties are related to features of reflectance spectra in the region 400 nm - 2500 nm. and to emittance in region 8 mm - 14 mm Detailed observations of spectral reflectance reveal subtle features related to biochemical components of leaves such as chlorophyll and water. Exchange of energy between the biosphere and the atmosphere is an important mechanism determining the response of vegetation to climate variability. This requires measurements of the component temperature of foliage and soil. The latter are closely related to the angular variation in thermal infrared emittance. The architecture of vegetation canopies determines complex changes of observed reflectance and emittance spectra with view and illumination angle. Quantitative analysis of reflectance and emittance spectra requires, therefore, an accurate characterization of the anisotropy of radiance. This can be achieved with nearly - simultaneous observations at different view angles. The Surface Processes and Ecosystem Changes Through Response Analysis (SPECTRA) Mission has been conceived to perform these observations at high spatial resolution by taking advantage of the spacecraft agility. Scientific preparations are pursued along two avenues: a) the nature of the expected data and candidate algorithms are evaluated by generating and using synthetic hyper - spectral multi - angular/radiometric data; b) algorithms are evaluated with actual hyper - spectral data collected with a variety of airborne systems and concurrent ground measurements; Campaigns have been performed using radiometric observations provided by ATSR, AATSR, AirMISR, CHRIS - PROBA and a variety of airborne hyperspectral systems. The paper will cover highlights of these studies.

Large randomised trials have demonstrated that fibrinolytic therapy can reduce mortality in patients with suspected acute myocardial infarction (AMI). The indications for, and contraindications to, this treatment in some categories of patient are disputed, examples being late presentation, elderly patients, and those in cardiogenic shock. This overview aims to help resolve some of the remaining uncertainties. From all trials of fibrinolytic therapy versus control that randomised more than 1000 patients with suspected AMI, information was sought and checked on deaths during the first 5 weeks and on major adverse events occurring during hospitalisation. The nine trials included 58,600 patients, among whom 6177 (10.5%) deaths, 564 (1.0%) strokes, and 436 (0.7%) major non-cerebral bleeds were reported. Fibrinolytic therapy was associated with an excess of deaths during days 0-1 (especially among patients presenting more than 12 h after symptom onset, and in the elderly) but this was outweighed by a much larger benefit during days 2-35. This "early hazard" should not obscure the very clear overall survival advantage that is produced by fibrinolytic therapy. Benefit was observed among patients presenting with ST elevation or bundle-branch block (BBB)--irrespective of age, sex, blood pressure, heart rate, or previous history of myocardial infarction or diabetes--and was greater the earlier treatment began. Among the 45,000 patients presenting with ST elevation or BBB the relation between benefit and delay from symptom onset indicated highly significant absolute mortality reductions of about 30 per 1000 for those presenting within 0-6 h and of about 20 per 1000 for those presenting 7-12 h from onset, and a statistically uncertain benefit of about 10 per 1000 for those presenting at 13-18 h (with more randomised evidence needed in this latter group to assess reliably the net effects of treatment). Fibrinolytic therapy was associated with about 4 extra strokes per 1000 during days 0-1: of these, 2 were associated with early death and so were already accounted for in the overall mortality reduction, 1 was moderately or severely disabling, and 1 was not. This overview indicates that fibrinolytic therapy is beneficial in a much wider range of patients than is currently given such treatment routinely.

OBJECTIVES: The purpose of this study was to investigate the biologic efficacy and pharmacokinetics of different doses of recombinant hirudin administered in single or repeated subcutaneous injections in healthy volunteers.BACKGROUND: Hirudin is a highly specific inhibitor of thrombin, the pivotal enzyme in thrombosis. Differences between hirudin and heparin in experimental animals indicate that hirudin may be a superior antithrombotic drug in humans.METHODS: The biologic effect of recombinant desulfato-hirudin (CGP 39393) administered as single or repeated (every 8 h for 3 days or every 12 h for 6 days) subcutaneous injections was studied in 231 healthy human volunteers.RESULTS: Single subcutaneous doses of 0.1, 0.2, 0.3, 0.4, 0.5 and 0.75 mg/kg body weight in 195, 8, 12, 8, 4 and 4 volunteers, respectively, prolonged the activated partial thromboplastin time in a dose-proportional fashion within the 1st 30 min, with a near-maximal effect for 3 to 4 h after the dose. The mean activated partial thromboplastin time increased to 1.48 and 1.93 times baseline values 30 min after single subcutaneous injections of 0.2 and 0.4 mg/kg of CGP 39393, respectively. There was a linear relation over a wide range between the activated partial thromboplastin time prolongation and plasma concentrations of CGP 39393. Plasma clearance was between 1.5 and 1.7 ml/min per kg. The subcutaneous administration of 0.3 and 0.5 mg recombinant hirudin three times a day for 3 days or two times a day for 6 days prolonged the activated partial thromboplastin time by 1.71 to 1.69 and 1.78 to 1.92 times baseline levels, respectively, with the preinjection values maintained in the hypocoagulable range. No prolongation of bleeding time was measured at peak plasma hirudin levels. Because thrombin and prothrombin times are not able to reflect high or low CGP 39393 concentrations, respectively, neither test is suitable for monitoring administration of this drug.CONCLUSIONS: CGP 39393 appears to be well tolerated in volunteers, even after repeated doses. The activated partial thromboplastin time test seems to be well suited to monitor the anticoagulant effect of recombinant hirudin because the dose effect is linear up to 0.5 mg/kg of subcutaneous CGP 39393. The prolongation of activated partial thromboplastin time after subcutaneous injection of CGP 39393 shows a plateau lasting for 3 h. Further studies are now required to determine the dose that will provide the best antithrombotic effect and the lowest bleeding tendency in arterial or venous thrombosis indications.