Graphene quantum dots: Beyond a Dirac billiard

We present realistic simulations of quantum confinement effects in ballistic graphene quantum dots with linear dimensions of 10 to 40 nm. We determine wavefunctions and energy level statistics in the presence of disorder resulting from edge roughness, charge impurities, or short-ranged scatterers. Marked deviations from a simple Dirac billiard for massless fermions are found. We find a remarkably stable dependence of the nearest-neighbor level spacing on edge roughness suggesting that the roughness of fabricated devices can be potentially characterized by the distribution of measured Coulomb blockade peaks.Comment: 5 figures, higher resolution available upon reques

Transition-State Interactions in a Promiscuous Enzyme: Sulfate and Phosphate Monoester Hydrolysis by Pseudomonas aeruginosa Arylsulfatase.

Pseudomonas aeruginosa arylsulfatase (PAS) hydrolyzes sulfate and, promiscuously, phosphate monoesters. Enzyme-catalyzed sulfate transfer is crucial to a wide variety of biological processes, but detailed studies of the mechanistic contributions to its catalysis are lacking. We present linear free energy relationships (LFERs) and kinetic isotope effects (KIEs) of PAS and analyses of active site mutants that suggest a key role for leaving group (LG) stabilization. In LFERs PASWT has a much less negative Brønsted coefficient (βleaving groupobs-Enz = -0.33) than the uncatalyzed reaction (βleaving groupobs = -1.81). This situation is diminished when cationic active site groups are exchanged for alanine. The considerable degree of bond breaking during the transition state (TS) is evidenced by an 18Obridge KIE of 1.0088. LFER and KIE data for several active site mutants point to leaving group stabilization by active site K375, in cooperation with H211. 15N KIEs and the increased sensitivity to leaving group ability of the sulfatase activity in neat D2O (Δβleaving groupH-D = +0.06) suggest that the mechanism for S-Obridge bond fission shifts, with decreasing leaving group ability, from charge compensation via Lewis acid interactions toward direct proton donation. 18Ononbridge KIEs indicate that the TS for PAS-catalyzed sulfate monoester hydrolysis has a significantly more associative character compared to the uncatalyzed reaction, while PAS-catalyzed phosphate monoester hydrolysis does not show this shift. This difference in enzyme-catalyzed TSs appears to be the major factor favoring specificity toward sulfate over phosphate esters by this promiscuous hydrolase, since other features are either too similar (uncatalyzed TS) or inherently favor phosphate (charge).BBSRC BB/I004327/1 EPSRC EP/E019390/1

Pulsating star research and the Gaia revolution

In this article we present an overview of the ESA Gaia mission and of the unprecedented impact that Gaia will have on the field of variable star research. We summarise the contents and impact of the first Gaia data release on the description of variability phenomena, with particular emphasis on pulsating star research. The Tycho-Gaia astrometric solution, although limited to 2.1 million stars, has been used in many studies related to pulsating stars. Furthermore a set of 3,194 Cepheids and RR Lyrae stars with their times series have been released. Finally we present the plans for the ongoing study of variable phenomena with Gaia and highlight some of the possible impacts of the second data release on variable, and specifically, pulsating stars.Comment: 12 pages, 4 figures, proceedings for the 22nd Los Alamos Stellar Pulsation Conference Series Meeting "Wide field variability surveys: a 21st-century perspective", held in San Pedro de Atacama, Chile, Nov. 28 - Dec. 2, 201

Taming Friedrich-Wintgen interference in resonant metasurface: vortex laser emitting at on-demand tilted-angle

Friedrich-Wintgen (FW) interference is an atypical coupling mechanism that grants loss exchange between leaky resonances in non-Hermitian classical and quantum systems. Intriguingly, such an mechanism makes it possible for destructive interference scenario in which a radiating wave becomes a bound state in the continuum (BIC) by giving away all of its losses. Here we propose and demonstrate experimentally an original concept to tailor FW-BICs as polarization singularity at on-demand wavevectors in optical metasurface. As a proof-of-concept, using hybrid organic-inorganic halide perovskite as active material, we empower this novel polarization singularity to obtain lasing emission exhibiting both highly directional emission at oblique angles and polarization vortex in momentum space. Our results pave the way to steerable coherent emission with tailored polarization pattern for applications in optical communication/manipulation in free-space, high-resolution imaging /focusing and data storage

Quantifying Dynamics in Tropical Peat Swamp Forest Biomass with Multi- Temporal LiDAR Datasets

Tropical peat swamp forests in Indonesia store huge amounts of carbon and are responsible for enormous carbon emissions every year due to forest degradation and deforestation. These forest areas are in the focus of REDD+ (reducing emissions from deforestation, forest degradation, and the role of conservation, sustainable management of forests and enhancement of forest carbon stocks) projects, which require an accurate monitoring of their carbon stocks or aboveground biomass (AGB). Our study objective was to evaluate multi-temporal LiDAR measurements of a tropical forested peatland area in Central Kalimantan on Borneo. Canopy height and AGB dynamics were quantified with a special focus on unaffected, selective logged and burned forests. More than 11,000 ha were surveyed with airborne LiDAR in 2007 and 2011. In a first step, the comparability of these datasets was examined and canopy height models were created. Novel AGB regression models were developed on the basis of field inventory measurements and LiDAR derived height histograms for 2007 (r(2) = 0.77, n = 79) and 2011 (r(2) = 0.81, n = 53), taking the different point densities into account. Changes in peat swamp forests were identified by analyzing multispectral imagery. Unaffected forests accumulated on average 20 t/ha AGB with a canopy height increase of 2.3 m over the four year time period. Selective logged forests experienced an average AGB loss of 55 t/ha within 30 m and 42 t/ha within 50 m of detected logging trails, although the mean canopy height increased by 0.5 m and 1.0 m, respectively. Burned forests lost 92% of the initial biomass. These results demonstrate the great potential of repetitive airborne LiDAR surveys to precisely quantify even small scale AGB and canopy height dynamics in remote tropical forests, thereby featuring the needs of REDD+

Classical Dynamics of the Time-Dependent Elliptical Billiard

In this work we study the nonlinear dynamics of the static and the driven ellipse. In the static case, we find numerically an asymptotical algebraic decay for the escape of an ensemble of non-interacting particles through a small hole due to the integrable structure of the phase space of the system. Furthermore, for a certain hole position a saturation value in the decay that can be tuned arbitrarily by varying the eccentricity of the ellipse is observed and explained. When applying harmonic boundary oscillations this saturation value caused by librator type orbits is gradually destroyed via two fundamental processes which are discussed in detail. As a result, an amplitude dependent emission rate is obtained in the long time behavior of the decay, suggesting that the driven elliptical billiard can be used as a controllable source of particles

Metachromatic Leukodystrophy: A Case of Triplets With the Late Infantile Variant and a Systematic Review of the Literature

Metachromatic Leukodystrophy is a rare disorder with great clinical variability. We report the first case of triplets with the late infantile form of the disease and their systematic progression of symptoms. We reviewed the literature and identified all human studies that reported new cases since 1921. We analyzed survival by decade to assess the impact of historical changes in management of care. Mean age at death and 5-year survival from onset of symptoms for late infantile, juvenile and adult phenotype were 4.2 years and 24.9%, 17.4 years and 70.3%, and 43.1 years and 88.6% respectively. 5-year survival of cases reported after 1990 was significantly better than cases reported before 1970 in all subtypes of metachromatic leukodystrophy (late infantile: 52% vs. 14%, juvenile: 100% vs. 46%, adult: 95% vs. 67%). Survival in the late infantile subtype was worse than in other subtypes. Survival significantly improved over time in all subtypes

Application of deep learning models to improve ulcerative colitis endoscopic disease activity scoring under multiple scoring systems

Background and Aims Lack of clinical validation and inter-observer variability are two limitations of endoscopic assessment and scoring of disease severity in patients with ulcerative colitis [UC]. We developed a deep learning [DL] model to improve, accelerate and automate UC detection, and predict the Mayo Endoscopic Subscore [MES] and the Ulcerative Colitis Endoscopic Index of Severity [UCEIS]. Methods A total of 134 prospective videos [1550 030 frames] were collected and those with poor quality were excluded. The frames were labelled by experts based on MES and UCEIS scores. The scored frames were used to create a preprocessing pipeline and train multiple convolutional neural networks [CNNs] with proprietary algorithms in order to filter, detect and assess all frames. These frames served as the input for the DL model, with the output being continuous scores for MES and UCEIS [and its components]. A graphical user interface was developed to support both labelling video sections and displaying the predicted disease severity assessment by the artificial intelligence from endoscopic recordings. Results Mean absolute error [MAE] and mean bias were used to evaluate the distance of the continuous model’s predictions from ground truth, and its possible tendency to over/under-predict were excellent for MES and UCEIS. The quadratic weighted kappa used to compare the inter-rater agreement between experts’ labels and the model’s predictions showed strong agreement [0.87, 0.88 at frame-level, 0.88, 0.90 at section-level and 0.90, 0.78 at video-level, for MES and UCEIS, respectively]. Conclusions We present the first fully automated tool that improves the accuracy of the MES and UCEIS, reduces the time between video collection and review, and improves subsequent quality assurance and scoring

The QCD confinement transition: hadron formation

We review the foundations and the applications of the statistical and the quark recombination model as hadronization models.Comment: 45 pages, 16 figures, accepted for publication in Landolt-Boernstein Volume 1-23

Health economic assessment of ferric carboxymaltose in patients with iron deficiency and chronic heart failure based on the FAIR-HF trial: an analysis for the UK

AIMS: The purpose of this study was to evaluate the cost-effectiveness of iron repletion using intravenous (i.v.) ferric carboxymaltose (FCM) in chronic heart failure (CHF) patients with iron deficiency with or without anaemia. Cost-effectiveness was studied from the perspective of the National Health Service in the UK. METHODS AND RESULTS: A model-based cost-effectiveness analysis was used to compare iron repletion with FCM with no iron treatment. Using data from the FAIR-HF trial and publicly available sources and publications, per patient costs and clinical effectiveness of FCM were estimated compared with placebo. Cost assessment was based on study drug and administration costs, cost of CHF treatment, and hospital length of stay. The incremental cost-effectiveness ratio (ICER) of FCM use was expressed as cost per quality-adjusted life year (QALY) gained, and sensitivity analyses were performed on the base case. The time horizon of the analysis was 24 weeks. Mean QALYs were higher in the FCM arm (difference 0.037 QALYs; bootstrap-based 95% confidence interval 0.017-0.060). The ICER of FCM compared with placebo was €4414 per QALY gained for the FAIR-HF dosing regimen. Sensitivity analyses confirmed the base case result to be robust. CONCLUSION: From the UK payers' perspective, managing iron deficiency in CHF patients using i.v. FCM was cost-effective in this analysis. The base case ICER was clearly below the threshold of €22 200-€33 300/QALY gained (£20 000-£30 000) typically used by the UK National Institute for Health and Clinical Excellence and proved to be robust in sensitivity analysis. Improved symptoms and better quality of life contributed to this result