Data-Efficient Multifidelity Training for High-Fidelity Machine Learning Interatomic Potentials.

Machine learning interatomic potentials (MLIPs) are used to estimate potential energy surfaces (PES) from calculations, providing near-quantum-level accuracy with reduced computational costs. However, the high cost of assembling high-fidelity databases hampers the application of MLIPs to systems that require high chemical accuracy. Utilizing an equivariant graph neural network, we present an MLIP framework that trains on multifidelity databases simultaneously.

Nitrogen-Doped Indium Oxide Electrochemical Sensor for Stable and Selective NO Detection.

Efficient gas sensors are critical for environmental monitoring and industrial safety. While metal oxide semiconductor (MOS) sensors are cost-effective, they struggle with poor selectivity, high operating temperatures, and limited stability. Electrochemical sensors, though selective and energy-efficient, face high costs, and stability issues due to precious metal catalysts like platinum on carbon (Pt/C).

IRE1α Mediates the Hypertrophic Growth of Cardiomyocytes Through Facilitating the Formation of Initiation Complex to Promote the Translation of TOP-Motif Transcripts.

Background: Cardiomyocyte growth is coupled with active protein synthesis, which is one of the basic biological processes in living cells. However, it is unclear whether the unfolded protein response transducers and effectors directly take part in the control of protein synthesis. The connection between critical functions of the unfolded protein response in cellular physiology and requirements of multiple processes for cell growth prompted us to investigate the role of the unfolded protein response in cell growth and underlying molecular mechanisms.

Multistate, Ultrathin, Back-End-of-Line-Compatible AlScN Ferroelectric Diodes.

The growth in data generation necessitates efficient data processing technologies to address the von Neumann bottleneck in conventional computer architecture. Memory-driven computing, which integrates nonvolatile memory (NVM) devices in a 3D stack, is gaining attention, with CMOS back-end-of-line (BEOL)-compatible ferroelectric (FE) diodes being ideal due to their two-terminal design and inherently selector-free nature, facilitating high-density crossbar arrays. Here, we demonstrate BEOL-compatible, high-performance FE diodes scaled to 5, 10, and 20 nm FE AlScN/AlScN films.

High-Rate CO Electrolysis to Formic Acid over a Wide Potential Window: An Electrocatalyst Comprised of Indium Nanoparticles on Chitosan-Derived Graphene.

Realizing industrial-scale production of HCOOH from the CO reduction reaction (CO RR) is very important, but the current density as well as the electrochemical potential window are still limited to date. Herein, we achieved this by integration of chemical adsorption and electrocatalytic capabilities for the CO RR via anchoring In nanoparticles (NPs) on biomass-derived substrates to create In/X-C (X=N, P, B) bifunctional active centers. The In NPs/chitosan-derived N-doped defective graphene (In/N-dG) catalyst had outstanding performance for the CO RR with a nearly 100 % Faradaic efficiency (FE) of HCOOH across a wide potential window.

Modulation of the magnetic dynamics in two air-stable sulfur-ligated dysprosium complexes polymerization.

Two air-stable sulfur-ligated dysprosium(III) complexes [HN(Et)][DyNaL] (1) and [DyNaL(MeOH)(HO)] (2) based on 2-pyridinethiol 1-oxide (HL) were synthesized and structurally characterized. Discrete 1 and polymeric 2 share the same anionic unit of [DyL] with the OS coordination environment, but differ in the precise geometry with triangular dodecahedron geometry in 1 and biaugmented trigonal prism geometry in 2. The subtle change leads to observable temperature-independent relaxation for 2 while a faster relaxation with invisible peak for 1 at zero dc field.

Lamella-heterostructured nanoporous bimetallic iron-cobalt alloy/oxyhydroxide and cerium oxynitride electrodes as stable catalysts for oxygen evolution.

Developing robust nonprecious-metal electrocatalysts with high activity towards sluggish oxygen-evolution reaction is paramount for large-scale hydrogen production via electrochemical water splitting. Here we report that self-supported laminate composite electrodes composed of alternating nanoporous bimetallic iron-cobalt alloy/oxyhydroxide and cerium oxynitride (FeCo/CeON) heterolamellas hold great promise as highly efficient electrocatalysts for alkaline oxygen-evolution reaction. By virtue of three-dimensional nanoporous architecture to offer abundant and accessible electroactive CoFeOOH/CeON heterostructure interfaces through facilitating electron transfer and mass transport, nanoporous FeCo/CeON composite electrodes exhibit superior oxygen-evolution electrocatalysis in 1 M KOH, with ultralow Tafel slope of ~33 mV dec.

Trial of Endovascular Therapy for Acute Ischemic Stroke with Large Infarct.

Background: The role of endovascular therapy for acute stroke with a large infarction has not been extensively studied in differing populations.

Methods: We conducted a multicenter, prospective, open-label, randomized trial in China involving patients with acute large-vessel occlusion in the anterior circulation and an Alberta Stroke Program Early Computed Tomography Score of 3 to 5 (range, 0 to 10, with lower values indicating larger infarction) or an infarct-core volume of 70 to 100 ml. Patients were randomly assigned in a 1:1 ratio within 24 hours from the time they were last known to be well to undergo endovascular therapy and receive medical management or to receive medical management alone.

Phase-Controlled Synthesis of Nickel-Iron Nitride Nanocrystals Armored with Amorphous N-Doped Carbon Nanoparticles Nanocubes for Enhanced Overall Water Splitting.

Transition metal nitrides (TMNs) nanostructures possess distinctive electronic, optical, and catalytic properties, showing great promise to apply in clean energy, optoelectronics, and catalysis fields. Nonetheless, phase-regulation of NiFe-bimetallic nitrides nanocrystals or nanohybrid architectures confronts challenges and their electrocatalytic overall water splitting (OWS) performances are underexplored. Herein, novel pure-phase Ni Fe N nanocrystals armored with amorphous N-doped carbon (NC) nanoparticles nanocubes (NPNCs) are obtained by controllable nitridation of NiFe-Prussian-blue analogues derived oxides/NC NPNCs under Ar/NH atmosphere.

Three-dimensional wavelength-division multiplexing interconnects based on a low-loss SiN arrayed waveguide grating.

We fabricate three-dimensional wavelength-division multiplexing (3D-WDM) interconnects comprising three SiN layers using a CMOS-compatible process. In these interconnects, the optical signals are coupled directly to a SiN grating coupler in the middle SiN layer and demultiplexed by a 1 × 4 SiN array waveguide grating (AWG). The demultiplexed optical signals are interconnected from the middle SiN layer to the bottom and top SiN layers by four SiON interlayer couplers.

Long-term association of ambient air pollution and hypertension in adults and in children: A systematic review and meta-analysis.

Aims: The association of long-term ambient air pollution and hypertension has been inconsistently reported. We performed an updated systematic review and meta-analysis to assess the association between long-term exposure to ambient air pollution and risk of hypertension in adults and in children.

Methods: PubMed, EMBASE, and Web of Science were searched up to August 7, 2020 for published articles examining the association of long-term exposure to ambient air pollution, including particulate matter (PM; ultrafine particles, PM, PM, PM, PM and PM), nitrogen dioxide (NO), nitrogen oxides (NO), sulfur dioxide (SO), ozone (O), carbon monoxide (CO) and hypertension.

A modified random network model for PO-NaO-AlO-SiO glass studied by molecular dynamics simulations.

We investigated the short- and medium-range structural features of sodium aluminosilicate glasses with various PO (0-7 mol%) content and Al/Na ratios ranging from 0.667 to 2.000 by using molecular dynamics simulations.

Effect of Increased IL-1β on Expression of HK in Alzheimer's Disease.

Alzheimer's disease (AD) is a neurodegenerative disease characterized by decreased glucose metabolism and increased neuroinflammation. Hexokinase (HK) is the key enzyme of glucose metabolism and is associated with mitochondria to exert its function. Recent studies have demonstrated that the dissociation of HK from mitochondria is enough to activate the NOD-like receptor protein 3 (NLRP3) inflammasome and leads to the release of interleukin-1β (IL-1β).

Tailoring Electronic and Optical Properties of MXenes through Forming Solid Solutions.

Alloying is a long-established strategy to tailor properties of metals for specific applications, thus retaining or enhancing the principal elemental characteristics while offering additional functionality from the added elements. We propose a similar approach to the control of properties of two-dimensional transition metal carbides known as MXenes. MXenes (MX) have two sites for compositional variation: elemental substitution on both the metal (M) and carbon/nitrogen (X) sites presents promising routes for tailoring the chemical, optical, electronic, or mechanical properties of MXenes.

Insight into the Transition-Metal Hydroxide Cover Layer for Enhancing Photoelectrochemical Water Oxidation.

Depositing a transition-metal hydroxide (TMH) layer on a photoanode has been demonstrated to enhance photoelectrochemical (PEC) water oxidation. However, the controversial understanding for the improvement origin remains a key challenge to unlock the PEC performance. Herein, by taking BiVO /iron-nickel hydroxide (BVO/F N -H) as a prototype, we decoupled the PEC process into two processes including charge transfer and surface catalytic reaction.

FeCS MXene: a promising electrode for Al-ion batteries.

Aluminum-ion batteries are one of the most promising candidates for next-generation rechargeable batteries. However, the strong electrostatic interactions between highly ionic Al and the electrode hinder the reversible intercalation and fast transport of Al ions. This study suggests a design strategy for a MXene electrode for realizing high-performance Al-ion batteries.

Molecular dynamic simulation of thermal transport in monolayer CB N alloy.

Recently, two-dimensional (2D) monolayers CB and CN attract growing research interest due to the excellent physical properties. In this work, the thermal conductivities (k) of the monolayer CB N alloy and the special CBN superlattice (CBN-SL) alloy are systematically evaluated by using molecular dynamic simulation. First, the k of monolayer CB N alloy presents a U-shaped profile with the increasing random doping ratio (x), in which the lowest k exists in x = 0.