Half-Life and Clearance of Cardiac Troponin I and Troponin T in Humans.

Background: Cardiac troponin (cTn) is key in diagnosing myocardial infarction (MI). After MI, the clinically observed half-life of cTn has been reported to be 7 to 20 hours, but this estimate reflects the combined elimination and simultaneous release of cTn from cardiomyocytes. More precise timing of myocardial injuries necessitates separation of these 2 components.

Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange.

The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enhancing the accessibility and discoverability of materials and chemical data. Since the first release of the OPTIMADE specification (v1.0), the API has undergone significant development, leading to the v1.

Improved Dielectric Response of Solids: Combining the Bethe-Salpeter Equation with the Random Phase Approximation.

The Bethe-Salpeter equation (BSE) can provide an accurate description of low-energy optical spectra of insulating crystals-even when excitonic effects are important. However, due to high computational costs it is only possible to include a few bands in the BSE Hamiltonian. As a consequence, the dielectric screening given by the real part of the dielectric function can be significantly underestimated by the BSE.

Linear Electro-Optic Effect in 2D Ferroelectric for Electrically Tunable Metalens.

The advent of 2D ferroelectrics, characterized by their spontaneous polarization states in layer-by-layer domains without the limitation of a finite size effect, brings enormous promise for applications in integrated optoelectronic devices. Comparing with semiconductor/insulator devices, ferroelectric devices show natural advantages such as non-volatility, low energy consumption and high response speed. Several 2D ferroelectric materials have been reported, however, the device implementation particularly for optoelectronic application remains largely hypothetical.

High-throughput computational stacking reveals emergent properties in natural van der Waals bilayers.

Stacking of two-dimensional (2D) materials has emerged as a facile strategy for realising exotic quantum states of matter and engineering electronic properties. Yet, developments beyond the proof-of-principle level are impeded by the vast size of the configuration space defined by layer combinations and stacking orders. Here we employ a density functional theory (DFT) workflow to calculate interlayer binding energies of 8451 homobilayers created by stacking 1052 different monolayers in various configurations.

Enhancing Metallicity and Basal Plane Reactivity of 2D Materials via Self-Intercalation.

Intercalation (ic) of metal atoms into the van der Waals (vdW) gap of layered materials constitutes a facile strategy to create materials whose properties can be tuned via the concentration of the intercalated atoms. Here we perform systematic density functional theory calculations to explore various properties of an emergent class of crystalline 2D materials (ic-2D materials) comprising vdW homobilayers with native metal atoms on a sublattice of intercalation sites. From an initial set of 1348 ic-2D materials, generated from 77 vdW homobilayers, we find 95 structures with good thermodynamic stability (formation energy within 200 meV/atom of the convex hull).

Calculations of Quantum Light-Matter Interactions in General Electromagnetic Environments.

The emerging field of strongly coupled light-matter systems has drawn significant attention in recent years because of the prospect of altering both the physical and chemical properties of molecules and materials. Because this emerging field draws on ideas from both condensed-matter physics and quantum optics, it has attracted the attention of theoreticians from both fields. While the former often employ accurate descriptions of the electronic structure of the matter, the description of the electromagnetic environment is often oversimplified.

High-Throughput Search for Triplet Point Defects with Narrow Emission Lines in 2D Materials.

We employ a first-principles computational workflow to screen for optically accessible, high-spin point defects in wide band gap, two-dimensional (2D) crystals. Starting from an initial set of 5388 point defects, comprising both native and extrinsic, single and double defects in ten previously synthesized 2D host materials, we identify 596 defects with a triplet ground state. For these defects, we calculate the defect formation energy, hyperfine (HF) coupling, and zero-field splitting (ZFS) tensors.

Combining experiments on luminescent centres in hexagonal boron nitride with the polaron model and methods towards the identification of their microscopic origin.

The two-dimensional material hexagonal boron nitride (hBN) hosts luminescent centres with emission energies of ∼2 eV which exhibit pronounced phonon sidebands. We investigate the microscopic origin of these luminescent centres by combining calculations with non-perturbative open quantum system theory to study the emission and absorption properties of 26 defect transitions. Comparing the calculated line shapes with experiments we narrow down the microscopic origin to three carbon-based defects: CC, CC, and VC.

Molybdenum Disulfide Nanoribbons with Enhanced Edge Nonlinear Response and Photoresponsivity.

MoS nanoribbons have attracted increased interest due to their properties, which can be tailored by tuning their dimensions. Herein, the growth of MoS nanoribbons and triangular crystals formed by the reaction between films of MoOx (2 View Article and Find Full Text PDF

Indirect Band Gap Semiconductors for Thin-Film Photovoltaics: High-Throughput Calculation of Phonon-Assisted Absorption.

Discovery of high-performance materials remains one of the most active areas in photovoltaics (PV) research. Indirect band gap materials form the largest part of the semiconductor chemical space, but predicting their suitability for PV applications from first-principles calculations remains challenging. Here, we propose a computationally efficient method to account for phonon-assisted absorption across the indirect band gap and use it to screen 127 experimentally known binary semiconductors for their potential as thin-film PV absorbers.

Momentum-Dependent Oscillator Strength Crossover of Excitons and Plasmons in Two-Dimensional PtSe.

The 1T-phase layered PtX chalcogenide has attracted widespread interest due to its thickness dependent metal-semiconductor transition driven by strong interlayer coupling. While the ground state properties of this paradigmatic material system have been widely explored, its fundamental excitation spectrum remains poorly understood. Here we combine first-principles calculations with momentum () resolved electron energy loss spectroscopy (-EELS) to study the collective excitations in 1T-PtSe from the monolayer limit to the bulk.

WSe as Transparent Top Gate for Infrared Near-Field Microscopy.

Independent control of carrier density and out-of-plane displacement field is essential for accessing novel phenomena in two-dimensional (2D) material heterostructures. While this is achieved with independent top and bottom metallic gate electrodes in transport experiments, it remains a challenge for near-field optical studies as the top electrode interferes with the optical path. Here, we characterize the requirements for a material to be used as the top-gate electrode and demonstrate experimentally that few-layer WSe can be used as a transparent, ambipolar top-gate electrode in infrared near-field microscopy.

A facile strategy for the growth of high-quality tungsten disulfide crystals mediated by oxygen-deficient oxide precursors.

Chemical vapor deposition (CVD) has been established as a versatile route for the large-scale synthesis of transition metal dichalcogenides, such as tungsten disulfide (WS). Yet, the precursor composition's role on the CVD process remains largely unknown and remains to be explored. Here, we employ Pulsed Laser Deposition (PLD) in a two-stage approach to tune the oxygen content in the tungsten oxide (WO) precursors and demonstrate the presence of oxygen vacancies in the oxide films leads to a more facile conversion from WO to WS.

The clinical approach to diagnosing peri-procedural myocardial infarction after percutaneous coronary interventions according to the fourth universal definition of myocardial infarction - from the study group on biomarkers of the European Society of Cardiology (ESC) Association for Acute CardioVascular Care (ACVC).

Purpose: This review intends to illustrate basic principles on how to apply the Fourth Universal Definition of Myocardial Infarction (UDMI) for the diagnosis of peri-procedural myocardial infarction (MI) after percutaneous coronary interventions (PCI) in clinical practice.

Methods And Results: Review of routine case-based events. Increases in cardiac troponin (cTn) concentrations are common after elective PCI in patients with chronic coronary syndrome (CCS).

Type 1, Type 2 Myocardial Infarction and Non-Ischemic Myocardial Injury-Opinion from the Front Lines.

Differentiating patients with type 1 and type 2 myocardial infarction (MI) and acute non-ischemic myocardial injury continues to be a problem for many clinicians. Type 1 MI is the most easily defined. It involves the rise and fall of blood troponin measurements (only falling values if the patient arrives late) with an appropriate clinical observation consistent with myocardial ischemia.

Representing individual electronic states for machine learning GW band structures of 2D materials.

Choosing optimal representation methods of atomic and electronic structures is essential when machine learning properties of materials. We address the problem of representing quantum states of electrons in a solid for the purpose of machine leaning state-specific electronic properties. Specifically, we construct a fingerprint based on energy decomposed operator matrix elements (ENDOME) and radially decomposed projected density of states (RAD-PDOS), which are both obtainable from a standard density functional theory (DFT) calculation.

Electrical tuning of optically active interlayer excitons in bilayer MoS.

Interlayer (IL) excitons, comprising electrons and holes residing in different layers of van der Waals bonded two-dimensional semiconductors, have opened new opportunities for room-temperature excitonic devices. So far, two-dimensional IL excitons have been realized in heterobilayers with type-II band alignment. However, the small oscillator strength of the resulting IL excitons and difficulties with producing heterostructures with definite crystal orientation over large areas have challenged the practical applicability of this design.