Beyond top-hit nontarget screening: Diagnostic fragment analysis reveals nitrogen-containing heterocycles in iron and steel industry wastewater.

Nitrogen-containing heterocyclic compounds (NHCs), widely present in industrial wastewater, pose significant environmental and health risks, yet their identification and characterization remain poorly understood. Herein, we developed a diagnostic fragment list comprising 20 nitrogen-containing fragments for NHCs, by integrating chemical information from Pubchem with the NIST mass spectral library. Leveraging this list, we employed a diagnostic fragment-assisted nontarget screening approach and identified 151 NHCs in iron and steel industry wastewater.

Impact of sodium butyrate on lipopolysaccharide-induced inflammatory response in zebrafish.

Butyrate is a short-chain fatty acid produced by intestinal bacteria during the fermentation of dietary fibers and has shown potential in modulating inflammatory responses. Herein, we investigated how sodium butyrate exerts dual, dose-dependent regulation of innate immunity using the zebrafish model of lipopolysaccharide (LPS)-induced inflammation. Our results demonstrated that at low concentrations (3 mM), sodium butyrate suppressed LPS-driven pro-inflammatory mediators (il1β, cebpβ, irg1l) while restoring anti-inflammatory and tissue-repair genes (lyz, il8, elf3).

Unveiling the Origin of Morphological Instability in Topologically Complex Electrocatalytic Nanostructures.

Coarsening and degradation phenomena in metals have largely focused on thermally driven processes, such as bulk and surface diffusion. However, dramatic coarsening has been reported in high-surface-area, nanometer-sized Pt-based catalysts during potential cycling in an electrolyte at room temperature─a temperature too low for the process to be explained purely by surface mobility values measured in both vacuum and electrolytes (∼10 and ∼10 cm/s, respectively). This morphological evolution must be due to a different mechanism for mass transport that is sensitive to electrochemical conditions (e.

Network pharmacology-guided lipidomics and molecular docking reveals the involvement of sphingolipid metabolism and HIF-1 signaling in Xiaoyao San's blood-nourishing mechanism against depression.

Ethnopharmacological Relevance: Depression is a common psychiatric disorder and has become a growing public health issue. In the traditional Chinese medicine (TCM) clinic, blood deficiency is a common syndrome pattern in depression. Xiaoyao San (XYS), a classic formula with the property of nourishing blood, is widely used to treat depression.

AI-assisted near-infrared ratiometric fluorescent sensor for ultrafast and portable visual detection of Bacillus anthracis biomarkers.

Contamination by Bacillus anthracis in food and the environment poses a significant public health risk to both humans and animals, with dipicolinic acid (DPA) serving as an effective biomarker for its detection. In this work, a novel AI-assisted near-infrared ratiometric fluorescent sensing system based on rapid coordination cross-linking and multiple fluorescence response mechanisms was proposed for ultrafast and portable visual detection of Bacillus anthracis biomarkers. A near-infrared (NIR) ratiometric fluorescent probe with multiple fluorescence response mechanisms was developed for sensitive detection of DPA, using carbon dots (B-CDs) and CdTe quantum dots (QD686).

Isoquercitrin Promotes Angiogenesis Through the Genomic Signaling Pathway of the Estrogen Receptor-Alpha.

Postmenopausal women's estrogen decline is a key factor for cardiovascular disease (CVD). Phytoestrogen may prevent CVD by protecting vascular endothelium and inhibiting vascular smooth muscle proliferation via receptor's genomic or nongenomic pathways, yet effective estrogen receptor α (ERα)-targeting phytoestrogens need further exploration. Molecular docking and thermal shift assay were used to verify compound binding to ERα.

A monolithically integrated near-infrared imager with crystallization- and oxidation-modulated tin-lead perovskites.

The fast crystallization and facile oxidation of Sn of tin-lead (Sn-Pb) perovskites are the biggest challenges for their applications in high-performance near-infrared (NIR) photodetectors and imagers. Here, we introduce a multifunctional diphenyl sulfoxide (DPSO) molecule into perovskite precursor ink to response these issues by revealing its strong binding interactions with the precursor species. The regulated perovskite film exhibits a dense morphology, reduced defect density and prolonged carrier diffusion length.

[Effect and mechanism of Moringa oleifera leaves, seeds, and velamen in improving learning and memory impairments in mice based on transcriptomic and metabolomic].

Moringa oleifera, widely utilized in Ayurvedic medicine, is recognized for its leaves, seeds, and velamen possessing traditional effects such as vātahara(wind alleviation), sirovirecaka(brain clearing), and hridya(mental nourishment). This study aims to identify the medicinal part of ■ in the Sārasvata ghee formulation as described in the Bower Manuscript, while investigating the ameliorative effects of different medicinal parts of M. oleifera on learning and memory deficits in mice and elucidating the underlying molecular mechanisms.

[Effects of combined use of active ingredients in Buyang Huanwu Decoction on oxygen-glucose deprivation/reglucose-reoxygenation-induced inflammation and oxidative stress of BV2 cells].

This study aims to explore the effects and action mechanisms of the active ingredients in Buyang Huanwu Decoction(BYHWD), namely tetramethylpyrazine(TMP) and hydroxy-safflor yellow A(HSYA), on oxygen-glucose deprivation/reglucose-reoxygenation(OGD/R)-induced inflammation and oxidative stress of microglia(MG). Network pharmacology was used to screen the effective monomer ingredients of BYHWD and determine the safe concentration range for each component. Inflammation and oxidative stress models were established to further screen the best ingredient combination and optimal concentration ratio with the most effective anti-inflammatory and antioxidant effects.

Research on calibration transfer methods in coal quality spectral analysis across instruments and coal types.

Background: In coal quality analysis, spectroscopic techniques such as near-infrared spectroscopy (NIRS) and X-ray fluorescence (XRF) offer rapid and non-destructive measurements, but differences between instruments and coal types may lead to the failure of established models. Given the complexity of coal, it is important to systematically evaluate the applicability of traditional calibration transfer methods, such as the Slope/Bias (S/B) method and Piecewise Direct Standardization (PDS). Meanwhile, machine learning algorithm such as Domain-Adversarial Neural Networks (DANN), have shown great potential in addressing data distribution differences between source and target domains, offering new possibilities for calibration transfer.

A benzothiazole derivative-based turn-on fluorescent probe for specific detection of Cys.

Cysteine (Cys) is a core biological thiol that regulates cellular redox homeostasis. Abnormal concentrations of Cys are closely related to tumorigenesis, neurodegenerative diseases, and metabolic disorders, and are often used as biomarkers for cancer cells. Therefore, detecting and analyzing its levels in the microenvironment of cancer cells is important.

Intrinsically Temperature-Insensitive and Highly Sensitive Flexible Wireless Strain Sensor.

Accurate strain monitoring in environments with coexisting mechanical deformation and temperature fluctuations─such as solid rocket propellants, battery enclosures, and human ligaments─remains a longstanding challenge for flexible electronics. Conventional strain sensors suffer from significant thermal drift due to the intrinsic temperature dependence of their sensing materials, limiting their reliability in wireless and implantable applications. Here, we report an intrinsically temperature-insensitive, highly sensitive, wireless flexible strain sensor based on near-field communication technology.

Panaxadiol acts as an HIF-1α inhibitor to suppress H9N2-induced inflammation.

The H9N2 avian influenza virus (AIV) represents a considerable threat to both poultry industries and public health, not only due to its widespread prevalence but also because of its potential to facilitate the emergence of more virulent influenza strains through genetic reassortment. Recent studies have highlighted the pivotal role of hypoxia-inducible factor 1-alpha (HIF-1α) in viral pathogenesis, immune modulation, and the regulation of inflammatory responses, positioning it as a promising target for antiviral strategies. In this study, we identified that HIF-1α actively contributes to the inflammatory response triggered by H9N2 AIV infection in MH-S cells.

New Insights into the Structural Rearrangement and Aggregation Properties of Aβ-PrP Cross-Seeding Modulated by Histidine Behaviors.

Histidine behavior plays a pivotal role in protein folding and misfolding; yet, its influence on cross-seeding during the nucleation phase remains poorly understood. The current study investigates the role of histidine behavior on the structural and aggregation properties during the cross-seeding of Aβ(1-40) and PrP(106-126) peptides. Our findings reveal that all systems tend to form dimeric structures.

Analysis of human papillomavirus model with vaccination and individual heterogeneity.

The dynamic system of HPV transmission with age subgroups, sexual and nonsexual transmission is established based on HPV vaccination. Firstly, the transmission threshold of the system is given. Local asymptotically stabilization of disease-free equilibrium when < 1 is proved.

Investigation on Reactivity and Selectivity of Electrocatalytic CO Reduction in Photochemically Synthesized Ag and Alloyed AgCu and AgCu Nanoclusters.

Atomically precise nanoclusters are desirable for understanding the structure-property relationships in the electrocatalytic CO reduction reaction (eCORR), but suitable related models are lacking, especially those of low- or zerovalent noble metal nanoclusters and their alloyed analogues. We first developed a photochemical method toward silver nanocluster Ag(4- BuPhC≡C)(Dpppe)(SbF) ( -) and then related copper-doped alloyed nanocluster AgCu(4- BuPhC≡C)(Dpppe)Cl(SbF) ( -). Herein, we present a larger alloyed nanocluster, AgCu(4- BuPhC≡C)(Dpppe)(SbF) ( -) and investigate the relationship between the structures and the eCORR performance of those related nanoclusters.

HDTV: a high-order directional total variation reconstruction algorithm from sparse and limited-angle data in electron paramagnetic resonance imaging.

Background: Electron paramagnetic resonance imaging (EPRI)-based oxygen imaging technology enables adaptive radiation therapy, thereby improving tumor control rates. However, the long scanning time limits the development of EPRI. In this study, we endeavored to reduce the scanning time.

Rational Design of Antimony-Based Zintl Clusters: Unveiling Unconventional Bonding and Architectures.

ConspectusThe past decade has witnessed rapid growth in the synthesis of main-group element clusters, driven by advances in the design of Zintl phase precursors and their integration with organometallic reagents. These strategies have unlocked unprecedented structural motifs and bonding patterns, greatly enriching the landscape of main-group cluster chemistry. Among them, antimony-based clusters stand out for their diverse architectures and unique electronic properties, serving as ideal models to explore metalloid aromaticity, multicenter bonding, and unconventional Sb-Sb or Sb-metal interactions.

Enhanced enzyme stability at the interphase of water-oil for continuous-flow olefin epoxidation.

The practical applications of enzymes often require their immobilization for multiple recycling or long-term running. However, practically efficient enzyme immobilization methods are lacking. Herein, we present an enzyme immobilization approach by engineering a porous "interphase" between water and oil around the surfaces of Pickering emulsion droplets.

Transforming Crowded Coacervates into Multi-Compartmental Hybrid Microreactors for Practical Enzymatic Catalysis.

Advancing the design and construction of artificial protocells with organized complexity, diverse functionality and practical applicability is urgently demanded in vitro synthetic biology and bioengineering but remains a grand challenge. Here, we present a versatile Pickering emulsion-based encapsulation approach to transform membraneless coacervate compartments into robust multicompartmental hybrid microreactors, which concurrently assimilate the expected attributes of hierarchically compartmentalized structure, molecularly crowded environment, selectively permeable ability and mechanically reinforced stability. Single or multiple biological and non-biological catalytic species can be spatially sequestered in specific domains of the hybrid microreactor, enabling spatiotemporal regulation of individual biocatalysis or divergent cascades with high reaction efficiency.

Transferring asymmetrical [2Fe2S] clusters from the mitochondrial protein MiNT to acceptor.

NEET protein is an evolutionarily conserved protein in almost all kingdoms of life. As an important member of the NEET (Asn-Glu-Glu-Thr) superfamily, MiNT (Miner2) involved in regulating iron and reactive oxygen species (ROS) homeostasis. It contains two CDGSH (consensus sequence: C-X-C-X2-(S/T)-X3-P-X-C-D-G-(S/A/T)-H) domains used for binding [2Fe2S] clusters.

Astragaloside Ⅳ improves neuroinflammation in Parkinson's disease by regulating amino acid metabolism and the PI3K-AKT signaling pathway.

Objective: Elucidation the pharmacological mechanism of AS-Ⅳ, providing a scientific basis for the development of AS-Ⅳ as a therapeutic agent for Parkinson's disease (PD).

Methods: An acute PD model was established in C57BL/6 mice through intraperitoneal injection of MPTP. A comprehensive multi-omics approach was employed for in-depth data analysis and processing.

Observation of nonlinear edge states in an interacting atomic trimer array.

Exploring the interplay between topology and nonlinearity leads to an emerging field of nonlinear topological physics, which extends the study of fascinating properties of topological states to a regime where interactions between the particles cannot be neglected. For ultracold atomic systems, although many exotic topological states have been recently observed, the nonlinear effect remains elusive. Here, based on the laser-driven couplings of discrete atomic momentum states, we synthesize a topological trimer array, where the atomic interactions give rise to tunable nonlinearities.

Transient Overexpression of in Grape Berries Enhances Susceptibility to Through ROS Homeostasis Modulation.

Gray mold disease, caused by , severely impacts grape production worldwide. Although proanthocyanidins (PAs) contribute to fungal pathogen resistance, their role in grape defense against remains unclear. Here, we demonstrate that VvMYBPA1, a key transcriptional regulator of PA biosynthesis, negatively modulates resistance in grape berries.