Long-range ordered high-entropy intermetallics enable stable and efficient hydrogen evolution in seawater.

Long-range ordered high-entropy intermetallics (HEIs) were synthesized a thermodynamically-driven atomic ordering strategy. The (FeCoNi)(RuPt) HEI achieves 200 mA cm at an overpotential of 56 mV and a remarkable low Tafel slope of 50.4 mV dec in alkaline seawater.

Structural analysis of extracellular ATP-independent chaperones of streptococcal species and protein substrate interactions.

Unlabelled: During infection, bacterial pathogens rely on secreted virulence factors to manipulate the host cell. However, in gram-positive bacteria, the molecular mechanisms underlying the folding and activity of these virulence factors after membrane translocation are not clear. Here, we solved the protein structures of two secreted parvulin and two secreted cyclophilin-like peptidyl-prolyl isomerase (PPIase) ATP-independent chaperones found in gram-positive streptococcal species.

Why does silicon have an indirect band gap?

It is difficult to intuit how electronic structure features-such as band gap magnitude, location of band extrema, effective masses, -arise from the underlying crystal chemistry of a material. Here we present a strategy to distill sparse and chemically-interpretable tight-binding models from density functional theory calculations, enabling us to interpret how multiple orbital interactions in a 3D crystal conspire to shape the overall band structure. Applying this process to silicon, we show that its indirect gap arises from a competition between first and second nearest-neighbor bonds-where second nearest-neighbor interactions pull the conduction band down from Γ to X in a cosine shape, but the first nearest-neighbor bonds push the band up near X, resulting in the characteristic dip of the silicon conduction band.

Two NADPH-dependent 2-ketogluconate reductases involved in 2-ketogluconate assimilation in sp. strain CHM43.

Unlabelled: Incomplete oxidation of glucose by sp. strain CHM43 produces gluconic acid and then 2- or 5-ketogluconic acid. Although 2-keto-D-gluconate (2KG) is a valuable compound, it is sometimes consumed by itself via an unknown metabolic pathway.

Beyond small molecules: advancing MYC-targeted cancer therapies through protein engineering.

Protein engineering has emerged as a powerful approach toward the development of novel therapeutics targeting the MYC/MAX/E-box network, an active driver of >70% of cancers. The MYC/MAX heterodimer regulates numerous genes in our cells by binding the Enhancer box (E-box) DNA site and activating the transcription of downstream genes. Traditional small molecules that inhibit MYC face significant limitations that include toxic effects, drug delivery challenges, and resistance.

Towards the Stable Chelation of Radioantimony(V) for Targeted Auger Theranostics.

Antimony-119 (119Sb) is one of the most attractive Auger-electron emitters identified to date, but it remains practically unexplored for targeted radiotherapy because no chelators have been identified to stably bind this metalloid in vivo. In a departure from current studies focused on chelator development for Sb(III), we explore the chelation chemistry of Sb(V) using the tris-catecholate ligand TREN-CAM. Through a combination of radiolabeling, spectroscopic, solid-state, and computational studies, the radiochemistry and structural chemistry of TREN-CAM with 1XX/natSb(V) were established.

Self-assembly of Antisense DNA-Camptothecin Amphiphile into Glutathione-Responsive Nanoparticles for Combination Cancer Therapy.

Recent years have witnessed the rapid growth of combination therapy for the treatment of cancer. Chemo and antisense DNA therapies are two clinically proven and efficient treatment modalities for cancer. However, direct delivery of both chemo and antisense oligonucleotides into the cancerous cells is challenging and hence there is a high demand for the development of new strategies that permit the direct delivery of chemo and antisense therapeutic agents in a targeted fashion.

Integrated Two-in-one Strategy for Efficient Neutral Hydrogen Peroxide Electrosynthesis via Phosphorous Doping in 2D Mesoporous Carbon Carriers.

Herein, we demonstrate a two-in-one strategy for efficient neutral electrosynthesis of H2O2 via two-electron oxygen reduction reaction (2e-ORR), achieved by synergistically fine-modulating both the local microenvironment and electronic structure of indium (In) single atom (SA) sites. Through a series of finite elemental simulations and experimental analysis, we highlight the significant impact of phosphorous (P) doping on an optimized 2D mesoporous carbon carrier, which fosters a favorable microenvironment by improving the mass transfer and O2 enrichment, subsequently leading to an increased local pH levels. Consequently, an outstanding 2e-ORR performance is observed in neutral electrolytes, achieving over 95% selectivity for H2O2 across a broad voltage range of 0.

Regulating Interphase Chemistry by Targeted Functionalization of Hard Carbon Anode in Ester-based Electrolytes for High-Performance Sodium-Ion Batteries.

Commercial hard carbon (HC) anode suffers from unexpected interphase chemistry rooted in the parasitic reactions between surface oxygen-functional groups and ester-based electrolytes. Herein, an innovative strategy is proposed to regulate interphase chemistry by tailoring targeted functional groups on the HC surface, where highly active undesirable oxygen-functional groups are skillfully converted into a Si-O-Si molecular layer favorable for anchoring anions. Then, an inorganic/organic hybrid solid electrolyte interphase with low interfacial charge transfer resistance and enhanced cycling durability is constructed successfully.

Time-resolved vibronic spectra with nuclear-electronic orbital time-dependent configuration interaction.

Time-resolved spectroscopy is an important tool for probing photochemically induced nonequilibrium dynamics and energy transfer. Herein, a method is developed for the ab initio simulation of vibronic spectra and dynamical processes. This framework utilizes the recently developed nuclear-electronic orbital time-dependent configuration interaction (NEO-TDCI) approach, which treats all electrons and specified nuclei quantum mechanically on the same footing.

Novel De Novo Intronic Variant of SYNGAP1 Associated With the Neurodevelopmental Disorders.

Background: SYNGAP1 encodes a Ras/Rap GTPase-activating protein that is predominantly expressed in the brain with the functional roles in regulating synaptic plasticity, spine morphogenesis, and cognition function. Pathogenic variants in SYNGAP1 have been associated with a spectrum of neurodevelopmental disorders characterized by developmental delays, intellectual disabilities, epilepsy, hypotonia, and the features of autism spectrum disorder. The aim of this study was to identify a novel SYNGAP1 gene variant linked to neurodevelopmental disorders and to evaluate the pathogenicity of the detected variant.

Pd-Catalyzed Asymmetric Synthesis of Chiral 2-Trifluoromethyl-4-(indol-3-yl)-4-chromene Derivatives.

This paper presents a new strategy for the construction of the chiral 4-chromene skeleton. A series of chiral 2-trifluoromethyl-4-(indol-3-yl)-4-chromenes were synthesized in moderate to good yields (60-92%) with excellent enantioselectivity (up to 97% ee) through the palladium-catalyzed asymmetric condensation of 2-chromenes and indoles. These trifluoromethylated, stereochemically rich building blocks hold potential value in medicinal chemistry.

Melamine-Copolymerization Strategy Engineered Fluorinated Polyimides for Membrane-Based Sour Natural Gas Separation.

Membrane-based gas separation provides an energy-efficient approach for the simultaneous CO and HS removal from sour natural gas. The fluorinated polyimide (PI) membranes exhibited a promising balance between permeability and permselectivity for sour natural gas separation. To further improve the separation efficiency of fluorinated PI membranes, a melamine-copolymerization synthetic approach is devised that aims to incorporate melamine motifs with high sour gas affinity into the structure of the PI membranes.

Cationic Polyhedral Chalcogenaboranes: Activation without breaking Wade's Rules.

Wade's rules are a well-established tool for the description of the geometry of inorganic clusters. Among others, they state that a decrease or increase in charge is always accompanied by a change in the number of skeletal electron pairs (SEPs). This work reports the synthesis of the first cationic chalcogenaboranes closo-[12-X-2-IPr-1-EB11H10]BF4 (X = H, I; E = S, Se 3a/b, 4a/b) featuring the same SEP count as their neutral precursors, EB11H11, but bearing a positive charge.

Update on the evolving landscape of pneumococcal capsule types: new discoveries and way forward.

SUMMARY (the "pneumococcus") is a significant human pathogen. The key determinant of pneumococcal fitness and virulence is its ability to produce a protective polysaccharide (PS) capsule, and anti-capsule antibodies mediate serotype-specific opsonophagocytic killing of bacteria. Notably, immunization with pneumococcal conjugate vaccines (PCVs) has effectively reduced the burden of disease caused by serotypes included in vaccines but has also spurred a relative upsurge in the prevalence of non-vaccine serotypes.

Untargeted metabolomics reveals biomarkers for the diagnosis of coronary artery plaques as observed by coronary cardiac computed tomography.

Atherosclerosis is a major cause of morbidity and mortality worldwide; in Israel, ischemic heart disease is the second leading cause of death for both genders aged 45 and above. Atherosclerosis involves stiffening of the arteries due to the accumulation of lipids and oxidized lipids on the blood vessel walls, triggering the development of artery plaque. Coronary artery disease (CAD) is the most common manifestation of atherosclerosis.

Rhodanine Substitution of Asymmetric Nonfullerene Acceptors for High-Performance Organic Solar Cells.

Asymmetric substitution is acknowledged as a straightforward yet potent approach for the optimization of small molecule acceptors (SMAs), thereby enhancing the power conversion efficiency (PCE) of organic solar cells (OSCs). In this work, we have successfully engineered and synthesized a novel asymmetric SMA, designated as Y6-R, which features a rhodanine-terminated inner side-chain. In devices with PM6 as the polymer donor, the asymmetric Y6-R demonstrated an impressive PCE of 18.

Nanoscale Hydrophobicity of Transport Barriers in the Nuclear Pore Complex as Compared with the Liquid/Liquid Interface by Scanning Electrochemical Microscopy.

The nuclear pore complex (NPC) is the proteinous nanopore that solely regulates molecular transport between the nucleus and cytoplasm of a eukaryotic cell. Hypothetically, the NPC utilizes the hydrophobic barriers based on the repeats of phenylalanine-glycine (FG) units to selectively and efficiently transport macromolecules. Herein, we quantitatively assess the hydrophobicity of transport barriers confined in the nanopore by applying scanning electrochemical microscopy (SECM).

Systematic Study of Hard-Wall Confinement-Induced Effects on Atomic Electronic Structure.

We point out that although a litany of studies have been published on atoms in hard-wall confinement, they have either not been systematic, having only looked at select atoms and/or select electron configurations, or they have not used robust numerical methods. To remedy the situation, we perform in this work a methodical study of atoms in hard-wall confinement with the HelFEM program, which employs the finite element method that trivially implements the hard-wall potential, guarantees variational results, and allows for easily finding the numerically exact solution. Our fully numerical calculations are based on nonrelativistic density functional theory and spherically averaged densities.

Satellite Observations of Atmospheric Ammonia Inequalities Associated with Industrialized Swine Facilities in Eastern North Carolina.

Industrialized swine facilities adversely affect the health and well-being of Eastern North Carolina residents in the U.S. and are an issue of environmental racism.

Exploring the Conformational Space of a Sulfonyl-Based Ionic Liquid on Platinum-Based Mono and Bimetallic Surfaces.

Understanding the arrangement of ionic liquids at the interface and their interactions with the surface is crucial for enhancing selectivity in heterogeneous reactions for practical applications. In this study, we investigate the nature of the adsorption and structural orientations of a sulfonyl-based ionic liquid on platinum-based mono- and bimetallic (111) surfaces employing replica exchange molecular dynamics and first-principles density functional theory calculations. More than 30 confirmations of the ionic liquid are identified on both monometallic and bimetallic surfaces.

Discovery of a Novel Species from Indonesian Peat Soil with Potent Anti Multidrug-Resistant Activity.

<b>Background and Objective:</b> Peatlands are unique ecosystems rich in microbial diversity, including bacteria with potential antibiotic activity. This study focuses on the isolation and characterization of bacteria from Indonesian peat soil, particularly their potential to produce antibiotics against multidrug-resistant (MDR) pathogens, including Methicillin-Resistant <i>Staphylococcus aureus</i> (MRSA). <b>Materials and Methods:</b> Bacterial isolates were rejuvenated on nutrient agar and subjected to antimicrobial activity testing using the Bauer & Kirby diffusion method against MRSA.

Potential Antibacterial Activity of (L.) Kurz Extracts Against Antibiotic-Resistant Bacteria Isolated from Roi Et Hospital.

<b>Background and Objective:</b> <i>Oroxylum indicum</i>, a plant commonly used in traditional medicine to address various human ailments, has recently gained attention as a promising candidate in this regard due to its rich phytochemical composition and potential antibacterial properties. This study was undertaken to evaluate the antibacterial efficacy of <i>O. indicum</i> extracts, specifically from its leaves and stems, against antibiotic-resistant bacteria.

Nutraceutical and Ethnopharmacological Properties of (L.f.) F.A.Barkley (Family Anacardiaceae): A Narrative Review.

<i>Searsia lancea </i>(L.f.) F.