MetaboGNN: predicting liver metabolic stability with graph neural networks and cross-species data.

The metabolic stability of a drug is a crucial determinant of its pharmacokinetic properties, including clearance, half-life, and oral bioavailability. Accurate predictions of metabolic stability can significantly streamline the drug discovery process. In this study, we present MetaboGNN, an advanced model for predicting liver metabolic stability based on Graph Neural Networks (GNNs) and Graph Contrastive Learning (GCL).

"Four-in-One" Strategy to Functionalize a Multiple Resonance Skeleton for Narrowband Ultrapure Green Emitters with Circularly Polarized Luminescence.

Novel chiral emitters are constructed using a "four-in-one" strategy through attachment of an octahydro-binaphthol unit onto a boron/nitrogen multiple resonance skeleton. They manifest ultrapure green emission peaking at 511 nm, a full width at half maximum of 22 nm, a Commission Internationale de l'Eclairage coordinate of 0.73, a small Δ of 0.

Emissions and carbon isotopic signatures of polycyclic aromatic compounds (PAHs, OPAHs) produced by coking in China.

The coking industry is a major source of polycyclic aromatic hydrocarbons (PAHs) and oxygenated PAHs (OPAHs). Although some OPAHs are considered to be more toxic than PAHs, limited information is available on the levels of PAH and OPAH emissions from the coking industry. Accordingly, we measured the emission factors (EF) for PAHs and OPAHs produced by the coking industry in China.

Prospects of Nanoscience with Nanocrystals: 2025 Edition.

Nanocrystals (NCs) of various compositions have made important contributions to science and technology, with their impact recognized by the 2023 Nobel Prize in Chemistry for the discovery and synthesis of semiconductor quantum dots (QDs). Over four decades of research into NCs has led to numerous advancements in diverse fields, such as optoelectronics, catalysis, energy, medicine, and recently, quantum information and computing. The last 10 years since the predecessor perspective "Prospect of Nanoscience with Nanocrystals" was published in ACS Nano have seen NC research continuously evolve, yielding critical advances in fundamental understanding and practical applications.

TDP-43 binds to RNA G-quadruplex structure and regulates mRNA stability and translation.

TDP-43 is a hallmark protein associated with neurodegenerative diseases. Recent studies revealed TDP-43 as an RNA G-quadruplex (rG4)-binding protein, impacting mRNA transport and function. However, our knowledge of the TDP-43-RNA secondary structure interaction and information on its specific rG4 targets are limited.

Study of Testosterone and Recombinant Human Growth Hormone in Facioscapulohumeral Muscular Dystrophy.

Background And Objectives: Effective therapies for facioscapulohumeral muscular dystrophy (FSHD) are currently limited. Recombinant human growth hormone (rHGH) combined with testosterone (combination therapy) may have meaningful clinical effects on ambulation, strength, muscle mass, and disease burden. As such, combination therapy has the potential to limit disease progression and functional decline in individuals with muscular dystrophy.

Multitasking and workplace wellbeing: the roles of job stress and job autonomy.

This cross-sectional study investigated how multitasking associates with workplace wellbeing, emphasizing the mediating role of job stress, and the moderating role of job autonomy. Grounded in the Job Demands-Resources (JD-R) and Conservation of Resources (COR) theories, this research proposed that multitasking negatively associates workplace wellbeing by increasing job stress, and that job autonomy buffers this relationship between multitasking and job stress. Data were collected from 354 employees in the information technology industry in China, with a response rate of 98.

How Do Patient Outcomes in Mechanical Thrombectomy for Large-Core Stroke Vary Based on Neuroimaging Modalities Used for Patient Selection? A Multicenter Multinational Study.

The role of different imaging modalities-non-contrast CT (NCCT), CT perfusion (CTP), and diffusion-weighted imaging (DWI)-in selecting patients with large-core stroke for endovascular thrombectomy (EVT) is a subject of ongoing debate. This study aims to determine whether patients with large-core acute ischemic stroke (AIS) undergoing EVT triaged with CTP or DWI in addition to NCCT had different clinical outcomes compared to those only triaged with NCCT. We queried the Stroke Thrombectomy and Aneurysm Registry (STAR) for patients enrolled between 2014 and 2023 who presented with anterior-circulation AIS and large ischemic core (ASPECTS < 6) who underwent EVT in 41 stroke centers in the USA, Europe, Asia, and South America.

Prevalence and distribution patterns of drug resistance in to first-line antituberculosis drugs in Urumqi, China.

Unlabelled: This study aimed to investigate the epidemic status and distribution characteristics of drug-resistant in Urumqi. From January 2019 to July 2024, all sputum culture-positive strains were collected in Urumqi. Using the traditional solid-state proportion method for drug-sensitivity testing, we determined the resistance of to first-line antituberculosis (TB) drugs.

Functionalization of Gold-Pincer Nanocluster for Asymmetric Catalysis.

Organic ligand-protected metal nanoclusters feature ultrasmall size, well-defined compositions, and diverse chiral structures. They have the potential to combine the advantages of asymmetric organocatalysis and nanometal catalysis. The major challenge is designing and synthesizing appropriate metal nanocluster structures for achieving high catalytic activity and excellent enantioselectivity.

Highly Ordered DNA Framework Interface Enables Efficient Enzymatic Oligonucleotide Synthesis.

De novo DNA synthesis plays crucial roles in life science. Enzymatic oligonucleotide synthesis (EOS) has attracted interest due to longer synthesized chains, simple procedure, cost-effectiveness, and environmental friendliness. However, unlike chemical synthesis dominated by small molecule, the EOS relies on enzyme reacting with primers.

High-Performance Micro-LED Displays via Etching-Damage-Free Pixelation Strategy for Multifunctional Integrated Applications.

As Micro-LED sizes shrink, luminescence efficiency drops significantly due to sidewall damage from plasma etching. This study introduces a precision-selective ion implantation (PSII) strategy to boost external quantum efficiency (EQE) and brightness of Micro-LED at high current density, vital for applications like augmented reality (AR) and optical communication, instead of relying on sidewall passivation for low current density efficiency. PSII's effects is systematically evaluated on electrical isolation and photoelectric properties.

Stable Ultrabroad-Absorbing Radical Achieves Efficient NIR-II Photothermal Conversion via Facile Synthesis.

Inspired by the electron-withdrawing ability of nitroxide radicals, a novel open-shell material, EDOT-TPAO is reported, synthesized via one-step demethylation and oxidation of its closed-shell precursor, EDOT-TPAOMe. Time-dependent density functional theory calculations confirm an acceptor-donor-acceptor configuration of EDOT-TPAO where radical termini act as electron acceptors. This structural transformation narrows the optical bandgap from 2.

Microbial Production of Purine Nucleotides, Nucleosides, and Nucleobases: Advances and Perspectives.

Nucleotides are indispensable biomolecules, playing vital roles in genetic information transfer, energy metabolism, cofactor biosynthesis, and cellular communication. These compounds (including purine nucleotides, nucleosides, and nucleobases) have become increasingly valuable as foodstuff additives and pharmaceutical intermediates. Although microbial production offers an eco-friendly alternative, its efficiency remains constrained by complex metabolic networks and growth-production tradeoffs.

Integrative Transcriptomic Analysis Decodes the Interplay Between Aging, Senescence, and Cancer.

Cancer risk increases with age, and cellular senescence may be a major contributor to cellular carcinogenesis. Enormous efforts have been made to investigate the interrelation between aging and tumors, but little is known about the comparative features of normal aging, cellular senescence, and cancer at single-cell resolution. By integrating analyses of genomics, epigenomics, and bulk and single-cell transcriptomics, we revealed a directionally opposite transcriptional profile between cellular senescence and tumorigenesis at the single-cell level, which may be affected by epigenomic regulations.

[Clinical study on hemodynamics and analgesic effect of local infiltration anesthesia in the treatment of severe early childhood caries under general anesthesia].

Objectives: This study aimed to explore the clinical efficacy of severe early childhood caries (SECC) treatment combined with local anesthesia under general anesthesia.

Methods: A total of 108 children under 6 years old who underwent SECC dental treatment under general anesthesia at the Department of Pediatric Dentistry, Third Affiliated Hospital of Air Force Medical University from March to December 2023 were selected as the study subjects, with American Society of Anesthesiologists (ASA) classification of classⅠor Ⅱ. The study subjects were divided into a control group (=54) and an experimental group (=54) by retrieving intraoperative cases and postoperative follow-up records.

Spatiotemporal subtypes of brain and spinal cord atrophy in neuromyelitis optica spectrum disorders and multiple sclerosis.

Background: Neuromyelitis optica spectrum disorders (NMOSD) and multiple sclerosis (MS) are autoimmune demyelinating diseases with overlapping clinical features but distinct patterns of brain and spinal cord atrophy. The precise atrophy subtypes specific to each disease remain elusive. This study aimed to identify shared and distinct atrophy subtypes in NMOSD and MS, using neuroimaging to explore their clinical significance and potential implications for tailored treatment strategies.

The pharmacy graduate global competence evaluation scale (PGGCES): a nationwide study in China.

Background: Research on global competence (GC) among postgraduate pharmacy students remains limited, with most studies focusing on undergraduates or general student populations. To address this gap, this study investigates the GC of Chinese pharmacy graduate students using the OECD's 2018 PISA framework and established GC assessment tools. By analyzing personal attributes, family background, and academic environment, this study identifies key influencing factors and evaluates the effectiveness of current educational practices.

A Quality Improvement Initiative to Reduce Underdosing of Rectal Diazepam as Home Seizure Rescue Medication After Hospitalization.

Background And Objectives: Seizure rescue medications are commonly prescribed to patients with epilepsy to treat and prevent clusters of seizures or status epilepticus. Underdosing of rescue medications decreases their efficacy, which may lead to status epilepticus and potentially avoidable emergency department (ED) visits or hospitalizations. In this quality improvement initiative, we aimed to reduce the rate of underdosed rectal diazepam prescriptions for children discharged from the inpatient neurology service at our institution from a baseline of 6% to 3% by July 2023.

Genetic determinants of testicular sperm extraction outcomes: insights from a large multicentre study of men with non-obstructive azoospermia.

Study Question: What is the diagnostic yield and the pre-testicular sperm extraction (TESE) prognostic value of a non-obstructive azoospermia (NOA)-specific virtual gene panel?

Summary Answer: The diagnostic yield in our cohort was 6.1%, and by combining our data with published literature, we identified 11 genes compatible with testicular sperm production and 19 genes associated with no sperm retrieval in carriers of pathogenic (P) or likely pathogenic (LP) mutations.

What Is Known Already: Azoospermia, the most severe form of male infertility, affects ∼1% of the male population, with TESE being the primary treatment option.

Feasibility of fully automatic assessment of cervical canal stenosis using MRI via deep learning.

Background: Currently, there is no fully automated tool available for evaluating the degree of cervical spinal stenosis. The aim of this study was to develop and validate the use of artificial intelligence (AI) algorithms for the assessment of cervical spinal stenosis.

Methods: In this retrospective multi-center study, cervical spine magnetic resonance imaging (MRI) scans obtained from July 2020 to June 2023 were included.

Efficient Fracture Propagation Solver Based on the Displacement Discontinuity Method with Application to Fiber Optic Sensing.

Hydraulic fracturing is essential for developing not only unconventional oil and gas reservoirs but also clean-energy resources, such as enhanced geothermal systems. Accurate simulation of fracture propagation is crucial for estimating poststimulation production. However, current approaches to calculating fracture physical parameters are often computationally inefficient.

Scafari: Exploring scDNA-seq data.

Summary: Recent advances in single-cell sequencing made it possible to not just analyze a cell's individual expression pattern, but to gain insights into a single cell's genome using the cutting-edge technology single-cell DNA sequencing. Mission Bio is, with the Tapestri platform, one of the few providers of this technology. So far, however, there is only little open-source software available for user-friendly processing and quality analysis of this data type.

Bio-Transport Regulation Inspired 5-Fluorouracil Keto to Enol Tautomerism Achieving High Proton Conductivity.

The strategic modulation of proton transport kinetics and precise control of migration energy barriers in metal-organic frameworks (MOFs) are essential for developing next-generation proton conductors. Inspired by biological proton channels, this study introduces a dynamic regulation strategy by keto-enol tautomerism to reconcile the intrinsic trade-off between low activation energy (E) and sustained proton mobility. We successfully construct a hierarchical proton conductive system (denoted as FU@MOF-808-SOH) by integrating 5-fluorouracil (5-FU) molecules into sulfonic-functionalized MOF-808 through a two-step post-synthetic modification.

Supramolecular Microspheres Fabricated from Macrocycle-Incorporated Polymers and Their Biomedical Applications Based on Host-Guest Recognition.

Microspheres have emerged as a pivotal platform for micron-scale drug delivery, yet their utility has been greatly hindered by limitations in biodegradability, drug loading efficiency, and release kinetics, underscoring the urgent need for a next-generation microsphere platform that integrates high performance, scalability, and multifunctionality. Leveraging host-guest recognition, a series of macrocycle-incorporated polymers is synthesized and engineered a new class of supramolecular microspheres, which feature precisely tunable components, including host molecules, guest cargoes, and polymer components, as well as customizable morphologies, while enabling cost-effective, large-scale production. Following systematic validation of the host-guest recognition between β-cyclodextrin (β-CD) and lanreotide, we developed supramolecular microspheres (LAN@S-CPMs) that achieve a drug loading capacity and release duration approximately twice that of conventional microspheres, effectively curbing the disease progression of acromegaly.