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48 result(s) for "Di Pasquale, Paul"
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Hyper‐resolution in X‐ray emission spectroscopy: integrating extended‐range high energy resolution fluorescence detection and multiple‐crystal spectrometry with advanced binary data splicing
This study of manganese (Mn, Z = 25) introduces a novel combination of extended‐range high energy resolution fluorescence detection (XR‐HERFD), multiple‐crystal spectrometers and advanced binary data splicing techniques to address challenges in X‐ray emission spectroscopy. XR‐HERFD enhances spectral precision by utilizing high‐resolution crystal analysers and optimized detector configurations. The systematic application of these methods using multiple Bragg crystal analysers at Diamond Light Source has led to substantial improvements in data quality. Simultaneously, advanced binary data splicing integrates multiple datasets to correct distortions and improve resolution, resulting in sharper spectral features. Our results show a significant increase in peak counts and a notable reduction in full width at half‐maximum (FWHM), with peak amplitudes increasing by 83% and resolution improving by 46%. These developments provide greater detail for X‐ray absorption or emission spectra, offering valuable insights into complex materials, and permitting advances and breakthroughs in atomic relativistic quantum mechanics, chemical sensitivity of atomic transitions and modelling of solid‐state effects. A robust integration is introduced of the extended‐range high energy resolution fluorescence detection technique, multiple‐crystal spectrometers and binary data splicing techniques for the further refinement of spectra in X‐ray emission spectroscopy, revealing deeper insights into material properties and atomic transitions.
Discovery of an energy-dependent many-body process in the K β spectrum of manganese metal using extended-range high-energy-resolution fluorescence detection with advanced structural insights from principal component analysis
The discovery of the novel n = 2 satellite transition in the K β emission spectrum of manganese and its evolution with incident photon energy are presented. Using the XR-HERFD (extended-range high-energy-resolution fluorescence detection) technique, we conclusively demonstrate the existence of this phenomenon with a statistical significance corresponding to 652 σ se across the measured spectrum, far above the discovery threshold of 3–6 σ se . We apply principal component analysis (PCA) to the XR-HERFD data to extract advanced structural insights. The evolution of this novel spectral feature and physical process are quantified by incorporating regression, revealing the increase in intensity over a wide range of incident photon energies. We validate these findings through independent test data. These results directly challenge the conventional treatment of the many-body reduction factor S 0 2 as a constant independent of incident photon energy in the standard XAFS (X-ray absorption fine structure) equation. Thereby, these results present compelling evidence that S 0 2 should be modelled as a varying function of incident photon energy, marking the first observation of this behaviour in K β spectra. This facilitates a greater quantitative understanding of HERFD spectra and a comprehensive representation of many-body effects in condensed matter systems.
Endoscopic Removal of a Dentigerous Cyst Producing Unilateral Maxillary Sinus Opacification on Computed Tomography
We report the case of a 14-year-old girl who was referred to us with a 2-year history of abnormal panoramic dental x-rays. Computed tomography of the paranasal sinuses demonstrated a left unilateral maxillary sinus opacification that had been produced by an ectopic molar. The tooth was removed via an endoscopic approach rather than with a traditional Caldwell-Luc procedure. A nasal endoscope was used to create a middle meatal antrostomy and deliver the tooth and its cystic contents. The patient recovered without complications, and she exhibited no signs of recurrence at the 2-year follow-up.
Discovery of an energy-dependent many-body process in the Kbeta spectrum of manganese metal using extended-range high-energy-resolution fluorescence detection with advanced structural insights from principal component analysis
The discovery of the novel n = 2 satellite transition in the K[beta] emission spectrum of manganese and its evolution with incident photon energy are presented. Using the XR-HERFD (extended-range high-energy-resolution fluorescence detection) technique, we conclusively demonstrate the existence of this phenomenon with a statistical significance corresponding to 652 [[sigma].sub.se] across the measured spectrum, far above the discovery threshold of 3-6 [[sigma].sub.se]. We apply principal component analysis (PCA) to the XR-HERFD data to extract advanced structural insights. The evolution of this novel spectral feature and physical process are quantified by incorporating regression, revealing the increase in intensity over a wide range of incident photon energies. We validate these findings through independent test data. These results directly challenge the conventional treatment of the many-body reduction factor [S.sup.2.sub.0] as a constant independent of incident photon energy in the standard XAFS (X-ray absorption fine structure) equation. Thereby, these results present compelling evidence that [S.sup.2.sub.0] should be modelled as a varying function of incident photon energy, marking the first observation of this behaviour in K[beta] spectra. This facilitates a greater quantitative understanding of HERFD spectra and a comprehensive representation of many-body effects in condensed matter systems. Keywords: extended-range high-energy-resolution fluorescence detection; materials science; inelastic X-ray scattering; X-ray absorption fine structure; manganese; K[beta] spectra; shake processes; principal component analysis; satellites; many-body reduction factor; many-body processes; X-ray emission spectroscopy.
Phase-Space Propagator for Partially Coherent Wave Fields in the Spatial Domain
The propagation of wave fields and their interactions with matter are important for established and emerging fields in optical sciences. Efficient methods for predicting such behaviour have been employed routinely for coherent sources. However, most real world optical systems exhibit partial coherence, for which the present mathematical description involves high dimensional complex functions and hence poses challenges for numerical implementations. This demands significant computational resources to determine the properties of partially coherent wavefields. Here, we describe the novel Phase-Space (PS) propagator, an efficient and self-consistent technique for free space propagation of wave fields which are partially coherent in the spatial domain. The PS propagator makes use of the fact that the propagation of a wave field in free space is equivalent to a shearing of the corresponding PSD function. Computationally, this approach is simpler and the need for using different propagation methods for near and far-field regions is removed.
Dabigatran compared with warfarin in patients with atrial fibrillation and previous transient ischaemic attack or stroke: a subgroup analysis of the RE-LY trial
In the Randomised Evaluation of Long-Term Anticoagulation Therapy (RE-LY) trial, dabigatran reduced occurrence of both stroke and haemorrhage compared with warfarin in patients who had atrial fibrillation and were at increased risk of stroke. We aimed to assess the effects of dabigatran compared with warfarin in the subgroup of patients with previous stroke or transient ischaemic attack. In the RE-LY trial, 18 113 patients from 967 centres in 44 countries were randomly assigned to 110 mg or 150 mg dabigatran twice daily or to warfarin dose adjusted to international normalised ratio 2·0 to 3·0. Median follow-up was 2·0 years (IQR 1·14–2·86), and the primary outcome was stroke or systemic embolism. The primary safety outcome was major haemorrhage. Patients and investigators were aware of whether patients received warfarin or dabigatran, but not of dabigatran dose, and event adjudicators were masked to treatment. In a predefined analysis, we investigated the outcomes of the RE-LY trial in subgroups of patients with or without previous stroke or transient ischaemic attack. RE-LY is registered with ClinicalTrials.gov, NCT00262600. Within the subgroup of patients with previous stroke or transient ischaemic attack, 1195 patients were from the 110 mg dabigatran group, 1233 from the 150 mg dabigatran group, and 1195 from the warfarin group. Stroke or systemic embolism occurred in 65 patients (2·78% per year) on warfarin compared with 55 (2·32% per year) on 110 mg dabigatran (relative risk 0·84, 95% CI 0·58–1·20) and 51 (2·07% per year) on 150 mg dabigatran (0·75, 0·52–1·08). The rate of major bleeding was significantly lower in patients on 110 mg dabigatran (RR 0·66, 95% CI 0·48–0·90) and similar in those on 150 mg dabigatran (RR 1·01; 95% CI 0·77–1·34) compared with those on warfarin. The effects of both doses of dabigatran compared with warfarin were not significantly different between patients with previous stroke or transient ischaemic attack and those without for any of the outcomes from RE-LY apart from vascular death (110 mg group compared with warfarin group, interaction p=0·038). The effects of 110 mg dabigatran and 150 mg dabigatran twice daily in patients with previous stroke or transient ischaemic attack are consistent with those of other patients in RE-LY, for whom, compared with warfarin, 150 mg dabigatran reduced stroke or systemic embolism and 110 mg dabigatran was non-inferior. Boehringer Ingelheim.
Dronedarone in High-Risk Permanent Atrial Fibrillation
Patients with permanent atrial fibrillation and additional cardiac risk factors were randomly assigned to receive either dronedarone or placebo. At a median of 3.5 months, the risk of major adverse cardiovascular events was significantly increased with dronedarone. Dronedarone is a new antiarrhythmic agent that is used to restore sinus rhythm and to reduce rates of hospitalization for cardiovascular causes in patients with intermittent (paroxysmal or persistent) atrial fibrillation. 1 In ATHENA (A Placebo-Controlled, Double-Blind, Parallel Arm Trial to Assess the Efficacy of Dronedarone 400 mg bid for the Prevention of Cardiovascular Hospitalization or Death from any Cause in Patients with Atrial Fibrillation/Atrial Flutter; ClinicalTrials.gov number, NCT00174785), 4628 patients with intermittent atrial fibrillation were randomly assigned to receive either dronedarone or placebo. Dronedarone reduced the incidence of the primary outcome of unplanned hospitalization for cardiovascular causes or death. Significant . . .
Measurement of inelastic, single- and double-diffraction cross sections in proton–proton collisions at the LHC with ALICE
Measurements of cross sections of inelastic and diffractive processes in proton–proton collisions at LHC energies were carried out with the ALICE detector. The fractions of diffractive processes in inelastic collisions were determined from a study of gaps in charged particle pseudorapidity distributions: for single diffraction (diffractive mass M X <200 GeV/ c 2 ) , and , respectively at centre-of-mass energies ; for double diffraction (for a pseudorapidity gap Δ η >3) σ DD / σ INEL =0.11±0.03,0.12±0.05, and , respectively at . To measure the inelastic cross section, beam properties were determined with van der Meer scans, and, using a simulation of diffraction adjusted to data, the following values were obtained:  mb at and at . The single- and double-diffractive cross sections were calculated combining relative rates of diffraction with inelastic cross sections. The results are compared to previous measurements at proton–antiproton and proton–proton colliders at lower energies, to measurements by other experiments at the LHC, and to theoretical models.
Vaccination programs for older adults in an era of demographic change
Objectives Populations are aging worldwide. This paper summarizes some of the challenges and opportunities due to the increasing burden of infectious diseases in an aging population. Results Older adults typically suffer elevated morbidity from infectious disease, leading to increased demand for healthcare resources and higher healthcare costs. Preventive medicine, including vaccination can potentially play a major role in preserving the health and independence of older adults. However, this potential of widespread vaccination is rarely realized. Here, we give a brief overview of the problem, discuss concrete obstacles and the potential for expanded vaccination programs to promote healthy aging. Conclusion The increasing healthcare burden of infectious diseases expected in aging populations could, to a large extent, be reduced by achieving higher vaccination coverage among older adults. Vaccination can thus contribute to healthy aging, alongside healthy diet and physical exercise. The available evidence indicates that dedicated programs can achieve substantial improvements in vaccination coverage among older adults, but more research is required to assess the generalizability of the results achieved by specific interventions (see Additional file 1).
Geometry Optimization with Machine Trained Topological Atoms
The geometry optimization of a water molecule with a novel type of energy function called FFLUX is presented, which bypasses the traditional bonded potentials. Instead, topologically-partitioned atomic energies are trained by the machine learning method kriging to predict their IQA atomic energies for a previously unseen molecular geometry. Proof-of-concept that FFLUX’s architecture is suitable for geometry optimization is rigorously demonstrated. It is found that accurate kriging models can optimize 2000 distorted geometries to within 0.28 kJ mol −1 of the corresponding ab initio energy, and 50% of those to within 0.05 kJ mol −1 . Kriging models are robust enough to optimize the molecular geometry to sub-noise accuracy, when two thirds of the geometric inputs are outside the training range of that model. Finally, the individual components of the potential energy are analyzed, and chemical intuition is reflected in the independent behavior of the three energy terms E intra A (intra-atomic), V cl AA ' (electrostatic) and V x AA ' (exchange), in contrast to standard force fields.