Bimetallic organic framework derived Co-MoN/MoC catalyst for HER/OER bifunctional electrocatalytic reaction.

Metal organic frameworks (MOFs) are widely used as precursors due to their tunable morphology and high specific surface area. Molybdenum nitride (MoN) and molybdenum carbide (MoC) are promising catalyst materials with electronic structures similar to the noble metal platinum. However, the preparation and modification of the composite systems comprising MoN and MoC are complex, often leading to significant agglomeration and limiting their application in various catalytic fields.

[CHN][BO(OH)] and [CHN][BO(OH)]: Two Melamine Borates with Large Birefringence.

The π-conjugated [CHN] ( = 0-3) cations are good functional groups, which are widely employed in the preparations of nonlinear optical (NLO) and birefringent materials due to their high hyperpolarizability and optical anisotropy. In this paper, the first melamine hydroxyborate [CHN][BO(OH)] () was synthesized by the boric acid melting method under the molar ratio of HBO:CHN = 1:1. (2/) exhibits a two-dimensional (2D) {[CHN][BO(OH)]} layer composed of [CHN] cations and [BO(OH)] anions interconnected via hydrogen bonds.

Theoretical Investigation of Rate Coefficients and Dynamical Mechanisms for N + N + N Three-Body Recombination Based on Full-Dimensional Potential Energy Surfaces.

Three-body recombination reactions, in which two particles form a bound state while a third one bounces off after the collision, play significant roles in many fields, such as cold and ultracold chemistry, astrochemistry, atmospheric physics, and plasma physics. In this work, the dynamics of the recombination reaction for the N system over a wide temperature range (5000-20,000 K) are investigated in detail using the quasi-classical trajectory (QCT) method based on recently developed full-dimensional potential energy surfaces. The recombination products are N() + N() in the 1″ state, N() + N() in the 2″ state, and N() + N() in both the 1″ and 2″ states.

LncRNA DCRT Protects Against Dilated Cardiomyopathy by Preventing NDUFS2 Alternative Splicing by Binding to PTBP1.

Background: Dilated cardiomyopathy is characterized by left ventricular dilation and continuous systolic dysfunction. Mitochondrial impairment is critical in dilated cardiomyopathy; however, the underlying mechanisms remain unclear. Here, we explored the cardioprotective role of a heart-enriched long noncoding RNA, the dilated cardiomyopathy repressive transcript (DCRT), in maintaining mitochondrial function.

Compositional effects on structural, electronic, elastic, piezoelectric and dielectric properties of GaInN alloys: a first-principles study.

We conduct a comprehensive theoretical analysis of wurtzite GaInN ternary alloys, focusing on their structural, electronic, elastic, piezoelectric, and dielectric properties through rigorous first-principles calculations. Our investigation systematically explores the influence of varying Ga composition ( = 0%, 25%, 50%, 75%, 100%) on the alloy properties. Remarkably, we observe a distinctive non-linear correlation between the band gap and Ga concentration, attributable to unique slopes in the absolute positions of the valence band maximum and conduction band minimum with respect to Ga concentration.

Liquid-Phase Cyclic Chemiluminescence for the Identification of Cobalt Speciation.

Accurate discrimination of metal species is a significant analytical challenge. Herein, we propose a novel methodology based on liquid-phase cyclic chemiluminescence (CCL) for the identification of cobalt speciation. The CCL multistage signals () of the luminol-HO reaction catalyzed by different cobalt species have different decay coefficients .

Phosphorylation-Regulated Dynamic Phase Separation of HIP-55 Protects Against Heart Failure.

Background: Heart failure (HF), which is the terminal stage of many cardiovascular diseases, is associated with low survival rates and a severe financial burden. The mechanisms, especially the molecular mechanism combined with new theories, underlying the pathogenesis of HF remain elusive. We demonstrate that phosphorylation-regulated dynamic liquid-liquid phase separation of HIP-55 (hematopoietic progenitor kinase 1-interacting protein of 55 kDa) protects against HF.

Progress of charge carrier dynamics and regulation strategies in 2D CN-based heterojunctions.

Two-dimensional carbon nitrides (CN) have gained significant attention in various fields including hydrogen energy development, environmental remediation, optoelectronic devices, and energy storage owing to their extensive surface area, abundant raw materials, high chemical stability, and distinctive physical and chemical characteristics. One effective approach to address the challenges of limited visible light utilization and elevated carrier recombination rates is to establish heterojunctions for CN-based single materials ( CN, g-CN, CN, CN, CN, and CN). The carrier generation, migration, and recombination of heterojunctions with different band alignments have been analyzed starting from the application of CN with metal oxides, transition metal sulfides (selenides), conductive carbon, and CN heterojunctions.

Longevous Cycling of Rechargeable Zn-Air Battery Enabled by "Raisin-Bread" Cobalt Oxynitride/Porous Carbon Hybrid Electrocatalysts.

Developing commercially viable electrocatalyst lies at the research hotspot of rechargeable Zn-air batteries, but it is still challenging to meet the requirements of energy efficiency and durability in realistic applications. Strategic material design is critical to addressing its drawbacks in terms of sluggish kinetics of oxygen reactions and limited battery lifespan. Herein, a "raisin-bread" architecture is designed for a hybrid catalyst constituting cobalt nitride as the core nanoparticle with thin oxidized coverings, which is further deposited within porous carbon aerogel.

Fine Particulate Matter Exposure, Genetic Susceptibility, and the Risk of Incident Stroke: A Prospective Cohort Study.

Background: Both genetic factors and environmental air pollution contribute to the risk of stroke. However, it is unknown whether the association between air pollution and stroke risk is influenced by the genetic susceptibilities of stroke and its risk factors.

Methods: This prospective cohort study included 40 827 Chinese adults without stroke history.

Charge-clustering induced fast ion conduction in 2LiX-GaF: A strategy for electrolyte design.

2LiX-GaF (X = Cl, Br, I) electrolytes offer favorable features for solid-state batteries: mechanical pliability and high conductivities. However, understanding the origin of fast ion transport in 2LiX-GaF has been challenging. The ionic conductivity order of 2LiCl-GaF (3.

The metal atomic substitution induced half-metallic properties, metallic properties and semiconducting properties in X-N nanoribbons.

Armchair X-N nanoribbons (X-ANNRs) and zigzag X-N nanoribbons (X-ZNNRs) were calculated using first-principles calculations. Ferromagnets (FM) were found to be the most stable among the initial magnetic structures. Furthermore, nanoribbons were found to be thermodynamically stable through molecular dynamics simulations.

Hierarchical Dual Single-Atom Catalysts with Coupled CoN and NiN Moieties for Industrial-Level CO Electroreduction to Syngas.

Renewable-driven electrochemical CO reduction reaction (CORR) to syngas is an encouraging alternative strategy to traditional fossil fuel-based syngas production, and the development of industrial-level electrocatalysts is vital. Herein, based on theoretical optimization of metal species, hierarchical CoNi-N-C dual single-atom catalyst (DSAC) with individual NiN (CO preferential) and CoN (H preferential) moieties was constructed by a two-step pyrolysis route. The CoNi-N-C exhibits a stable CO Faradaic efficiency of 50 ± 5% and an industrial-level current density of 101-365 mA cm in an ultrawide potential window of -0.

Different delocalized ranges in mixed valence cyanido-metal-bridged Fe-Ru-Fe complexes controlled by terminal ligand substitution modification.

In order to investigate the properties of metal to metal charge transfer (MMCT) influenced by the relative energy level between the bridging unit and the terminal unit, two groups of heterotrimetallic cyanido-metal-bridged complexes, -[Cp(dppe)Fe-CN-Ru(MeOpy)-NC-Fe(dppe)Cp][X] (1[X]n; = 2, 3, or 4; X = PF or BF) (Cp = cyclopentadiene, dppe = 1,2-bis(diphenylphosphino)ethane, MeOpy = 4-methoxypyridine) and [Cp*(dppe)Fe-CN-Ru(MeOpy)-NC-Fe(dppe)Cp*] [X] (2[X]n; Cp* = 1,2,3,4,5-pentamethylcyclopentadiene; = 2, 3, or 4; X = PF or BF) were synthesized and fully characterized. The crystallography data suggest different oxidation sites in the ground state for one-electron oxidation products 13+ and 23+, and the electrochemical and Mössbauer spectra suggest that in the one-electron oxidation compounds 13+, the charge is delocalized all along the trimetal backbone Fe-Ru-Fe, while in 23+, the charge is rather delocalized between the two metal parts Fe-Ru. Further oxidation of N3+ gives N4+ ( = 1 or 2), during which a spin transfer towards the terminal units is observed in both series.

Ni dispersed ultrathin carbon nanosheets as bi-functional oxygen electrocatalyst induced from graphite-like porous supramolecule.

Excellent porosity and accessibility are key requirements during carbon-based materials design for energy conversion applications. Herein, a Ni-based porous supramolecular framework with graphite-like morphology (Ni-SOF) was rationally designed as a carbon precursor. Ultrathin carbon nanosheets dispersed with Ni nanoparticles and Ni-N sites (Ni@NiN-N-C) were obtained via in-situ exfoliation during pyrolysis.

Constructing N,S and N,P Co-Coordination in Fe Single-Atom Catalyst for High-Performance Oxygen Redox Reaction.

Single-atom catalysts (SACs) are promising electrocatalysts for the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER), in which the coordination environment plays a crucial role in activating the intrinsic activity of the central metal. Taking the FeN SAC as a probe, this work investigates the effect of introducing S or P atoms into N coordination (FeS N and FeP N (x=1-4)) on the electronic structure optimization of Fe center and its catalytic performance. Attributing to the optimal Fe 3d orbitals, FePN can effectively activate O and promote ORR with a low overpotential of 0.

Spontaneous Internal Electric Field in Heterojunction Boosts Bifunctional Oxygen Electrocatalysts for Zinc-Air Batteries: Theory, Experiment, and Application.

Heterojunctions are a promising class of materials for high-efficiency bifunctional oxygen electrocatalysts in both oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). However, the conventional theories fail to explain why many catalysts behave differently in ORR and OER, despite a reversible path ( O ⇋ OOH⇋ O⇋ OH). This study proposes the electron-/hole-rich catalytic center theory (e/h-CCT) to supplement the existing theories, it suggests that the Fermi level of catalysts determines the direction of electron transfer, which affects the direction of the oxidation/reduction reaction, and the density of states (DOS) near the Fermi level determines the accessibility for injecting electrons and holes.

Trends in the Electronic Structure and Chemical Bonding of a Series of Porphyrinoid-Uranyl Complexes.

In this paper, we have explored the relativistic density functional theory study on a series of deprotonated porphyrinoid (L) complexes of uranyl to investigate the geometrical structures and chemical bonding. The ligands bound with uranyl in the 1:1 complexes [UO(L)] ( = 4, 5, 6; = 0, -1, -2), showing more thermodynamic stability for "in-cavity" structures of L and L than that of the "side-on" structure of L and an increase in stability with the increase of negative charges, L < L < L. Among the six ligands, the cyclo[6]pyrrole presents the best selectivity toward uranyl.

Structural Evolution and Properties of Praseodymium Antimony Oxochlorides Based on a Chain-like Tertiary Building Unit.

Unveiling the structural evolution of single-crystalline compounds based on certain building units may help greatly in guiding the design of complex structures. Herein, a series of praseodymium antimony oxohalide crystals have been isolated under solvothermal conditions via adjusting the solvents used, that is, [HN(CHCH)][Fe(2,2'-bpy)][PrSbOCl]·EtOH () (2,2'-bpy = 2,2'-bipyridine), [HN(CHCH)][Fe(2,2'-bpy)][PrSbOCl)Cl]·N(CHCH)·2HO (), and (HO)[PrSbOCl(TEOA)]·2.5EtOH () (TEOA = mono-deprotonated triethanolamine anion).

CsPbBr perovskite quantum dots grown within Fe-doped zeolite X with improved stability for sensitive NH detection.

All-inorganic cesium lead halide (CsPbX, X = Cl, Br and I) perovskite quantum dots (QDs) have received enormous research interest because of their exceptional optoelectronic properties, but their low chemical stability under ambient conditions from inevitable defects restricts their practical applications. In an effort to enhance the stability of QDs, in this study, novel functional nanocomposites were fabricated by encapsulating perovskite QDs with zeolite X doped with iron ions. Focusing on the as-obtained nanocomposites labeled with QDs@Fe/X-, doping a reasonable amount of Fe ions can tremendously improve the order of perovskite lattices and reduce the halide vacancies.

Brain metastatic outgrowth and osimertinib resistance are potentiated by RhoA in EGFR-mutant lung cancer.

The brain is a major sanctuary site for metastatic cancer cells that evade systemic therapies. Through pre-clinical pharmacological, biological, and molecular studies, we characterize the functional link between drug resistance and central nervous system (CNS) relapse in Epidermal Growth Factor Receptor- (EGFR-) mutant non-small cell lung cancer, which can progress in the brain when treated with the CNS-penetrant EGFR inhibitor osimertinib. Despite widespread osimertinib distribution in vivo, the brain microvascular tumor microenvironment (TME) is associated with the persistence of malignant cell sub-populations, which are poised to proliferate in the brain as osimertinib-resistant lesions over time.

Targeting PDE4B (Phosphodiesterase-4 Subtype B) for Cardioprotection in Acute Myocardial Infarction via Neutrophils and Microcirculation.

Background: Timely and complete restoration of blood flow is the most effective intervention for patients with acute myocardial infarction. However, the efficacy is limited by myocardial ischemia-reperfusion (MI/R) injury. PDE4 (phosphodiesterase-4) hydrolyzes intracellular cyclic adenosine monophosphate and it has 4 subtypes A-D.