id
stringlengths
4
8
title
stringlengths
1
642
abstract
stringlengths
50
17.9k
41607711
Catalytic hydrogenation of acetone to isopropyl alcohol with CAl<sub>3</sub>MgH<sub>2</sub> <sup>¯</sup> containing planar tetracoordinate carbon.
The current study, employing density functional theory, reports the hydrogenation of acetone to isopropyl alcohol catalyzed by CAl<sub>3</sub>MgH<sub>2</sub> <sup>¯</sup>, which contains a planar tetracoordinate carbon (ptC). Various computational approaches are employed to analyze acetone hydrogenation using the CAl<s...
41614910
SARS-CoV-2 Helicase (NSP13) Interacts with Mammalian Polyamine and HSP Partners in Promoting Viral Replication.
We present a computational study that precedes the potential interactions between SARS-CoV-2 helicase (NSP13) and selected host proteins implicated in chaperone-assisted folding and polyamine metabolism. Using structure-based modelling and protein-protein docking (BioLuminate v4.6), followed by all-atom molecular dynam...
41614180
Temperature-Responsive Supramolecular Chiral Switch Achieved by Macrocyclic Confinement.
A series of tunable morphological nanoaggregates are constructed by hydroxypropyl-β/γ-cyclodextrin (HPβ/γCD) and cucurbit[8]-uril (CB[8]), respectively, encapsulating phenylalanine dipeptide-modified pyrene (PFF) based on host-guest complexation, which not only exhibits a topological transformation from helical nanofib...
41611413
Magnetic aptasensor with UiO-MOFs-mediated orientation-ordered aptamers for sensitive portable test of okadaic acid toxin.
<h4>Background</h4>Shellfish toxin residues (e.g., okadaic acid, OA) in seafood are a global concern, and the development of precise, sensitive portable test kits is therefore necessary. Magnetic nanoparticle-aptasensors (MNAS) are attractive for specific recognition and sensitive assay, yet direct epitaxial aptamer im...
41602150
Mitigation strategies for Li&lt;sub&gt;2&lt;/sub&gt;CO&lt;sub&gt;3&lt;/sub&gt; contamination in garnet-type solid-state electrolytes: formation mechanisms and interfacial engineering.
Garnet-type solid-state electrolytes (SSEs) are promising candidates for next-generation solid-state batteries (SSBs) owing to their high ionic conductivity, robust mechanical strength, and broad electrochemical stability window. However, exposure to ambient air results in the formation of a Li<sub>2</sub>CO<sub>3</sub...
41602144
A highly effective self-supplying photosensitizer drug for the treatment of deep-tissue metastatic tumors.
Due to the inherent defects of photodynamic therapy (PDT), its application in the treatment of deep-tissue metastatic tumors remains challenging. To extend the applicability of PDT, a novel chemiexcited photosensitizer, Cy7-EOM, was developed by covalently coupling the photosensitizer Cy7 with a peroxycatechol derivati...
41601000
Exploratory Evaluation of Peptide-Based Immunization Targeting Fusion Glycoprotein-Derived Epitopes of Nipah Virus in Murine Model.
<b>Background:</b> Nipah virus (NiV), a zoonotic paramyxovirus with high case fatality and pandemic potential, remains without a licensed vaccine for humans to date. Although there has been progress in vaccine development, it remains limited, and peptide vaccines have rarely been validated in vivo. <b>Methods:</b> Here...
41600052
Improved Biological Control of Bacterial Leaf Blight Using a Surfactant Complex of CO<sub>2</sub> Micro-Nanobubbles Coated with Crude Ethyl Acetate Extract of <i>Trichoderma polyalthiae</i> UBZSN2-1.
The bacterium <i>Xanthomonas oryzae</i> pv. <i>oryzae</i> is an important pathogen that causes wilt leaf blight disease in rice (<i>Oryza sativa</i> L.), leading to a reduction in rice yield. Therefore, this study aimed to investigate the potential of a surfactant complex composed of CO<sub>2</sub> nanobubbles (CO<sub>...
41599736
Discontinued BACE1 Inhibitors in Phase II/III Clinical Trials and AM-6494 (Preclinical) Towards Alzheimer's Disease Therapy: Repurposing Through Network Pharmacology and Molecular Docking Approach.
<b>Background</b>: β-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors demonstrated amyloid-lowering efficacy but failed in phase II/III clinical trials due to adverse effects and limited disease-modifying outcomes. This study employed an integrated network pharmacology and molecular docking approach ...
41599510
Advanced Design Concepts for Shape-Memory Polymers in Biomedical Applications and Soft Robotics.
Shape-memory polymers (SMPs) are a class of smart materials capable of recovering their original shape from a programmed temporary shape in response to external stimuli such as heat, light, or magnetic fields. SMPs have attracted significant interest for biomedical devices and soft robotics due to their large recoverab...
41599512
Evaluation of the Biodegradability Potential of Antibacterial Poly(lactic acid)/Glycero-(9,10-trioxolane)-trialeate Films in Soil.
Glycerol-(9,10-trioxolane) trioleate (OTOA) is a promising material that combines good plasticizing properties for PLA with profound antimicrobial activity, which makes it suitable for application in state-of-the-art biomedical and packaging materials with added functionality. In this study, the biodegradation kinetics...
41599338
Preferential Solvation of Zwitterionic Benzo-[f]-Quinolinium Ylids in Binary Solvent Mixtures: Spectral Study and Quantum Chemical Calculations.
Three derivatives of benzo-[f]-quinolinium ylids, which all underwent an intermolecular charge transfer process, were used as solvatochromic indicators to study the specific solvent-solute interactions in binary mixtures of protic-aprotic solvents with different molar ratios. The microenvironment around the solute mole...
41599334
Establishment of CRISPR-Cas9-Mediated Gene Editing in the Swimming Crab <i>Portunus trituberculatus</i>.
<i>Portunus trituberculatus</i> is an economically important marine crustacean in East Asia's aquaculture industry. Nevertheless, precise genome modification has not yet been established. In this study, we evaluated the applicability of the CRISPR-Cas9 gene editing system in <i>P. trituberculatus</i> using electroporat...
41599337
Recent Insights into Protein-Polyphenol Complexes: Molecular Mechanisms, Processing Technologies, Synergistic Bioactivities, and Food Applications.
Modifying proteins through grafting with polyphenols has received much attention recently due to its immense application potential. This stems from the formation of protein-polyphenol complexes, altering the structural and functional properties of the constituent molecules. In food systems, the interaction between prot...
41599331
Screening for Peptides to Bind and Functionally Inhibit SARS-CoV-2 Fusion Peptide Using Mirrored Combinatorial Phage Display and Human Proteomic Phage Display.
To identify pancoronaviral inhibitors, we sought to identify peptides that bound the evolutionarily conserved SARS-CoV-2 spike fusion peptide (FP). We screened the NEB PhD-7-mer random combinatorial phage display library against FP, synthesised as a D-peptide, to identify peptides from the L-library to be synthesised a...
41599328
Recent Advances in Simultaneous Desulfurization and Denitrogenation of Fuel Oil.
The elimination of nitrogen and sulfur compounds from liquid fuel is a critical aspect of reducing environmental pollution. However, the widely utilized hydrodesulfurization and hydrodenitrogenation technologies require harsh operating conditions. Moreover, when operated simultaneously, these processes induce mutual co...
41599319
Mechano-Induced Synthesis of Polyethylene Glycols α,ω-DiSubstituted with 4-(PAH)-1<i>H</i>-1,2,3-Triazoles in Presence of <i>In Situ</i>-Generated Bronze Microparticles as Catalyst.
A method for the mechanochemical CuAAC click reaction (Cu<sup>+</sup>-promoted azido-alkyne cycloaddition) in the presence of bronze powder/copper beads without the use of a pre-introduced catalyst and ligands with greener prospect is presented. A new type of tri-, tetra-, and penta-ethylene glycols (PEGs) α,ω-disubsti...
41599213
Targeting Bacterial Cell Wall Synthesis: Structural Insights and Emerging Therapeutic Strategies.
The emergence of multidrug-resistant (MDR) bacterial pathogens has heightened the urgency for novel antibacterial agents. The bacterial cell wall usually comprises peptidoglycan, which presents a prime target for antibacterial drug development due to its indispensable role in maintaining cellular integrity. Conventiona...
41599073
Multitarget Mechanisms of (‒)‒Epigallocatechin-3-Gallate Against MRSA: From SraP L-Lectin Targeting to Synergistic Antibiotic Effects.
Methicillin-resistant <i>Staphylococcus aureus</i> (MRSA), a major global public health threat due to its broad resistance, urgently requires the development of new antibiotic alternatives. (‒)‒Epigallocatechin-3-gallate (EGCG) is considered a natural bioactive compound with anti-MRSA properties. The L-Lectin module of...
41598273
Serotonergic Signaling Rewired: A Lipid Raft-Controlled Model of Synaptic Transmission Grounded in the Fundamental Parameters of Biological Systems.
Serotonergic signaling is traditionally conceived as a transient, vesicle-mediated process restricted to the synaptic cleft. Here, we propose an expanded model in which serotonin can also be inserted into the plasma membrane of neurons and glial cells, forming a stable, membrane-associated reservoir that prolongs its a...
41597886
Emerging Electrode Materials for Next-Generation Electrochemical Devices: A Comprehensive Review.
The field of electrochemical devices, encompassing energy storage, fuel cells, electrolysis, and sensing, is fundamentally reliant on the electrode materials that govern their performance, efficiency, and sustainability. Traditional materials, while foundational, often face limitations such as restricted reaction kinet...
41597882
Microneedle Technologies for Drug Delivery: Innovations, Applications, and Commercial Challenges.
Microneedle (MN) technologies have emerged as a groundbreaking platform for transdermal and intradermal drug delivery, offering a minimally invasive alternative to oral and parenteral routes. Unlike passive transdermal systems, MNs allow the permeation of hydrophilic macromolecules, such as peptides, proteins, and vacc...
41597884
Microfluidic Paper-Based Devices at the Edge of Real Samples: Fabrication Limits, Hybrid Detection, and Perspectives.
Microfluidic paper-based analytical devices (µPADs) convert ordinary cellulose into an active analytical platform where capillary gradients shape transport, surface chemistry guides recognition, and embedded electrodes or optical probes translate biochemical events into readable signals. Progress in fabrication-from wa...
41597692
Colistin Resistance in Gram-Negative Bacteria: Mechanisms, Transmission, and Novel Intervention Strategies.
Multidrug resistance (MDR) in Gram-negative bacteria is a global issue and needs to be addressed urgently. MDR can emerge through genetic mutations and horizontal gene transfer and deteriorate under antibiotic selective pressure. The emergence of resistance to last-resort antibiotics, which are used to treat MDR bacter...
41597449
Mechanisms of <i>Pseudomonas aeruginosa</i> Resilience Against Antibiotic Treatment and Outlooks of Emerging Treatment Strategies.
<i>Pseudomonas aeruginosa</i> is a resilient Gram-negative pathogen frequently implicated in healthcare associated infections, particularly among immunocompromised individuals and those with chronic conditions such as cystic fibrosis (CF), chronic obstructive pulmonary disease (COPD), or cancer. It is well known for it...
41596892
Noble Metal-Enhanced Chemically Sensitized Bi<sub>2</sub>WO<sub>6</sub> for Point-of-Care Detection of <i>Listeria monocytogenes</i> in Ready-to-Eat Foods.
<i>Listeria monocytogenes</i> (<i>LM</i>) contamination constitutes a paramount global threat to food safety, necessitating the urgent development of advanced, rapid, and non-destructive detection methodologies to ensure food security. This study successfully synthesized Bi<sub>2</sub>WO<sub>6</sub> nanoflowers through...
41596883
Effect of Xanthan, Guar, and Carrageenan Gums on the Physicochemical Properties of Hypoallergenic Pea Protein-Based Dysphagia-Friendly Matrices.
Due to the allergenicity of soy protein, this study aimed to develop a hypoallergenic, dysphagia-friendly matrix using pea protein isolate. We investigated the effects of three hydrocolloid thickeners-xanthan gum (XG), guar gum (G), and carrageenan (C)-at various concentrations on the matrices' rheological properties, ...
41596454
AI-Based Prediction of Gene Expression in Single-Cell and Multiscale Genomics and Transcriptomics.
Omics research is changing the way medicine develops new strategies for diagnosis, prevention, and treatment. With the surge of advanced machine learning models tailored for omicss analysis, recent research has shown improved results and pushed the progress towards personalized medicine. The dissection of multiple laye...
41596436
Trisferrocenyltrithiophosphite-Copper(I) Bromide Composites for Electrochemical CO<sub>2</sub> Reduction.
Copper-based catalysts have emerged as promising materials for electrochemical carbon dioxide reduction reactions, owing to copper's unique ability to facilitate multi-electron transfer processes and produce valuable products such as methanol and ethanol. In this study, novel trisferrocenyltrithiophosphite-copper(I) br...
41594872
Corneal Neovascularization: Pathogenesis, Current Insights and Future Strategies.
The cornea is an avascular, immune-privileged tissue critical to maintaining transparency, optimal light refraction, and protection from microbial and immunogenic insults. Corneal neovascularization (CoNV) is a pathological sequela of multiple anterior segment diseases and presents a major cause for reduced visual acui...
41594432
Long-Term Immunogenicity and Protection of a rHVT-H9/Y280 Vaccine Against H9N2 Avian Influenza Virus in Commercial Layers with High Maternal Antibodies.
The endemicity of H9N2 avian influenza viruses (AIVs), particularly the Y280 lineage, poses persistent challenges to the poultry industry due to the limitations of inactivated vaccines, such as interference by maternally derived antibodies (MDAs) and incomplete suppression of viral replication. This study evaluated the...
41594429
Structural Insights into the Receptor-Binding Domain of Bat Coronavirus HKU5-CoV-2: Implications for Zoonotic Transmission via ACE2.
The zoonotic potential of bat coronaviruses, especially HKU5, is a significant issue because of their capacity to utilize human angiotensin-converting enzyme 2 (ACE2) as a receptor for cellular entry. This study offers structural insights into the binding kinetics of HKU5 (Bat Merbecovirus HKU5) receptor-binding domain...
41594227
Paper-Based Microfluidic Chips for At-Home Point-of-Care Nucleic Acid Testing: Applications and Challenges.
Along with the growing demands for personalized medicine and public health surveillance, diagnostic technologies capable of rapid and accurate pathogen nucleic acid testing in home settings are becoming increasingly crucial. Paper-based microfluidic chips (μPADs) have emerged as a potential core platform for enabling m...
41594002
Extreme Values and Convergence of the Voronoi Entropy for 2D Random Point Processes and for Long-Range Order.
We investigate the asymptotic maximum value and convergence of the Voronoi Entropy (VE) for a 2D random point process (<i>S</i> = 1.690 ± 0.001) and point sets with long-range order characterized by hyperuniformity. We find that for the number of polygons of about <i>n</i> > 100, the VE range is between S = 0 (ordered ...
41591024
Metal-Support Interactions in Single-Atom Catalysts for Electrochemical CO<sub>2</sub> Reduction.
Electrochemical CO<sub>2</sub> reduction (CO<sub>2</sub>RR) is a promising route to transform a major greenhouse gas into value-added fuels and chemicals. However, its deployment is still hindered by the sluggish activation of CO<sub>2</sub>, poor selectivity toward multielectron products, and competition with the hydr...
41590805
Functional Peptide-Based Biomaterials for Pharmaceutical Application: Sequences, Mechanisms, and Optimization Strategies.
Peptide-based biomaterials have emerged as versatile tools for pharmaceutical drug delivery due to their biocompatibility and tunable sequences, yet a comprehensive overview of their categories, mechanisms, and optimization strategies remains lacking to guide clinical translation. This review systematically collates ad...
41590310
Advancements in Machine Learning-Assisted Flexible Electronics: Technologies, Applications, and Future Prospects.
The integration of flexible electronics and machine learning (ML) algorithms has become a revolutionary force driving the field of intelligent sensing, giving rise to a new generation of intelligent devices and systems. This article provides a systematic review of core technologies and practical applications of ML in f...
41590312
Surface-Imprinted Polymer Coupled with Diffraction Gratings for Low-Cost, Label-Free and Differential <i>E. coli</i> Detection.
Surface-imprinted polymer (SIP)-based biomimetic sensors are promising for direct whole-bacteria detection; however, the commonly used fabrication approach (micro-contact imprinting) often suffers from limited imprint density, heterogeneous template distribution, and poor reproducibility. Here, we introduce a photolith...
41590094
Conductive Hydrogels in Biomedical Engineering: Recent Advances and a Comprehensive Review.
Conductive hydrogels have gained considerable interest in the biomedical field because they provide a soft, hydrated, and electrically active microenvironment that closely resembles native tissue. Their unique combination of electrical conductivity and biocompatibility enables monitoring and modulation of biological ac...
41589983
Collagen Type I as a Biological Barrier Interface in Biomimetic Microfluidic Devices: Properties, Applications, and Challenges.
Collagen type I has become a practical cornerstone for constructing biologically meaningful barrier interfaces in microfluidic systems. Its fibrillar architecture, native ligand display, and susceptibility to cell-mediated remodeling support epithelial and endothelial polarization, tight junctions, and transport behavi...
41589984
Research Progress on Biomimetic Water Collection Materials.
Water scarcity constitutes a major global challenge. Biomimetic water collection materials, which mimic the efficient water capture and transport mechanisms, offer a crucial approach to addressing the water crisis. This review summarizes the research progress on biomimetic water collection materials, focusing on biolog...
41584446
Spatiotemporally regulated mitochondrial genome editing &lt;i&gt;via&lt;/i&gt; enzyme and NIR-activated CRISPR/Cas9 nanoplatform.
Mitochondrial DNA (mtDNA) mutations play critical roles in tumor progression and metabolic reprogramming. Controllable gene editing within tumor cell mitochondria remains a challenge due to the double-membrane barrier and the lack of tumor-selective activation. Herein, we report a dual-responsive CRISPR/Cas delivery pl...
41583058
Chitosan-based nanozyme hydrogels: Advanced antioxidant and sustained-release systems for the prevention and treatment of skin photoaging.
Photoaging of the skin is a chronic damage process caused by prolonged exposure to ultraviolet radiation, characterized by increased oxidative stress, activation of inflammatory responses, and collagen degradation. However, photoaging of the skin presents challenges in prevention, limited efficacy of therapeutic agents...
41576577
PVDF/M5AH@UiO-66-NH&lt;sub&gt;2&lt;/sub&gt; composite membrane: Efficient separation of breath acetone/isoprene and highly sensitive detection via CRDS.
Cavity ringdown spectroscopy (CRDS) is a sensitive laser absorption technique that can detect volatile organic compounds (VOCs) in human breath. Notably, CRDS exhibits a distinct absorbance for exhaled isoprene, a potential biomarker for lung cancer, at a wavelength of 226.56 nm. However, the presence of acetone in bre...
41570653
A dual-probe SERS aptasensor for ultrasensitive detection of acrylamide in food.
This study developed an aptamer sensor based on surface-enhanced Raman scattering (SERS) for the highly sensitive and selective detection of acrylamide (AAm) in food. Au@4MBA@Ag core-shell nanoparticles were synthesized and functionalized with thiol-modified AAm aptamers (Apt) to serve as signal probes. Meanwhile, Fe₃O...
41570527
Novel insights into the regulation of NF2/SWH signaling in granulosa cells of prehierarchical follicle development in hen ovary.
The tumor suppressor gene NF2 (Neurofibromatosis type 2) is involved in critical biological processes, including organ-size control, cell proliferation, differentiation, apoptosis, and cancer development by activating the SWH signaling pathway (also named Hippo pathway) in humans and Drosophila. However, the exact role...
41561464
Probing the weak interaction between silver and boron.
Understanding the boron-coinage-metal interactions is critical for understanding the nucleation and growth mechanisms of borophene on coinage-metal substrates. Binary metal-boron clusters provide ideal models for obtaining atomic-level information about the metal-boron interactions. Here we report an investigation of t...
41561468
"Impurity"-driven tunable organic room temperature phosphorescence &lt;i&gt;via&lt;/i&gt; conformational regulation in multi host/guest systems.
The presence of trace amounts of impurities can have unprecedented effects on the luminescence features of organic room temperature phosphorescent (ORTP) materials, requiring conscientious investigation. In this study, we have compared the photoluminescence properties of biphenyl-4-carboxylic acid (BCA) and biphenyl-4,...
41561448
Pyrene-embedded nanohoops: synthesis and dopant engineering for organic solar cells with an enhanced efficiency of 19.96.
Cycloparaphenylenes (CPPs) have long been a focus of interest for their promising applications in materials science. Herein, we report the synthesis of electron-rich pyrene-embedded nanohoops, [2]OMe-Pyr-[8]CPP and [4]OMe-Pyr-[8]CPP. Single-crystal analysis revealed an oval-shaped cavity with a herringbone molecular pa...
41544393
Magnetic reversible microfluidic chip and MOF based electrochemical sensor for efficient isolation and detection of tumor derived extracellular vesicles.
The efficient isolation and detection of tumor-derived extracellular vesicles (T-EVs) are vital for the early diagnosis of cancer. Herein, a magnetic reversible aptamer microfluidic chip (MRA-Chip) combined with a MOF-based electrochemical sensor was developed for the efficient isolation and detection of T-EVs. First, ...
41539589
Allyl-functionalized calix[4]resorcinarenes against breast cancer cells: Synthesis, cytotoxicity, apoptosis induction, and computational insights.
The present study is intended as an initial exploration of allyl-functionalized calix[4]resorcinarenes (4a-4f) as cytotoxic agents. These derivatives were obtained via the O-allylation of 3-methoxy-4-hydroxybenzaldehyde (vanillin) and 4-hydroxybenzaldehyde with resorcinol, pyrogallol, or 2-methylresorcinol. All compoun...
41538972
Electrochemiluminescent sensor based on copper nanosheets for the detection of sulfamethoxazole.
Sulfadimethoxine (SDM) is commonly used to inhibit bacterial growth, but its residual presence in food poses a potential risk to public health. Therefore, sensitive and accurate detection of SDM residues is of significant importance. In this study, a highly sensitive "turn-on" electrochemiluminescence (ECL) aptamer sen...
41537116
Synthesis and structural characterization of the &lt;i&gt;Z&lt;/i&gt;-isomer of 1,2-bis(tetrazol-5-yl)ethylene (H&lt;sub&gt;2&lt;/sub&gt;bte) &lt;i&gt;via&lt;/i&gt; photoinduced isomerization.
This study demonstrates the photoinduced <i>E</i>→<i>Z</i> isomerization of 1,2-bis(tetrazol-5-yl)ethylene (H<sub>2</sub>bte), leading to the first successful growth and structural characterization of its <i>Z</i>-isomer single crystal. Through optimized 365 nm UV irradiation and subsequent recrystallization, phase-pur...
41537117
Chiral separation of aromatic amino acids by capillary electrophoresis using sulphated β-cyclodextrin as a single chiral selector: an experimental and computational study.
Chiral discrimination of aromatic amino acids is crucial in biochemical, pharmaceutical and analytical sciences, yet a clear and mechanistic understanding of cyclodextrin-mediated enantioseparation in capillary electrophoresis (CE) remains incomplete. In this work, the enantioseparation of tryptophan (TRP), tyrosine (T...
41537109
Unveiling the chemistry of polynuclear copper complexes: current synthetic strategies, properties and emerging applications.
Polynuclear copper complexes (PNCCs), featuring an intricate interplay of multiple copper (Cu) ions, represent a highly diverse and complex field of coordination chemistry. In this review, we cover the synthesis, characteristics, factors affecting structural diversity, and applications of PNCCs. The synthesis methods, ...
41537108
Scalable synthesis of spherical graphite/ZnO composite anodes for high-performance lithium-ion batteries.
Reimagining graphite anodes through hybrid nano-architectures offers a powerful route to break the long-standing trade-off between capacity and stability in lithium-ion batteries. Here, we design a porous spherical graphite/ZnO (SG/ZnO) hybrid anode <i>via</i> a scalable one-pot hydrothermal synthesis combined with hig...
41536548
Integrated computational screen and validation of thalidomide-based PROTACs targeting SARS-CoV-2 main protease.
The persistent evolution of SARS-CoV-2 underscores the need for antiviral strategies. The viral main protease (M<sup>pro</sup>) represents a conspicuous target due to its essential role in viral replication and high conservation across SARS-CoV-2. Conventional M<sup>pro</sup> inhibitors face challenges such as drug res...
41536519
Emestrin-Type Epidithiodiketopiperazines Inhibited Gasdermin D-Mediated Pyroptosis via Caspase-3/7 Activation.
Sepsis, a life-threatening dysregulated host response to infection, is frequently exacerbated by pyroptosis-a programmed, proinflammatory cell death process mediated by Gasdermin D (GSDMD) activation. Using high-throughput screening, we identified emestrin-type epidithiodiketopiperazines (ETPs) as potent inhibitors of ...
41536433
Thermal-mediated modulation of binary supramolecular self-assembly from phase separation to co-crystallization at the liquid-solid surface.
Significant research in materials chemistry has focused on the design and fabrication of organic materials and their self-assembled architectures for a wide range of applications, such as organic transistors, photovoltaic cells, and surface functionalization, to name just a few. For binary supramolecular systems, howev...
41536065
Dynamic domain interactions encode possible CheA autophosphorylation mechanisms revealed by coarse-grained simulations.
Autophosphorylation of CheA is key to initiation of the phosphorylation cascade that eventually controls the direction of downstream flagellar motors for chemotaxis signaling in motile bacteria. The phospho-transfer reaction, from ATP bound in the P4 catalytic domain to a specific His residue in the P1 substrate domain...
41531190
Pore-Engineered Luminescent MOF Sensors for PFAS Recognition in Water.
Per- and polyfluoroalkyl substances (PFAS) are persistent contaminants in water that pose severe threats to environmental integrity and public health. Luminescent sensing using porous materials has emerged as a highly efficient strategy for daily recognition, owing to its high efficiency, simplicity, and sensitivity. H...
41531173
Serotonergic System-Targeted Nucleic Acid Hydrogel Coordinates Excitability Restoration and Circuit Reconstruction for Spinal Cord Injury Therapy.
Despite the persistence of spared spinal circuits capable of relaying commands after spinal cord injury (SCI), their contribution to recovery remains constrained by functional dormancy of spared neurons and impaired reconnection across the lesion. Serotonergic neuromodulation is pivotal for reactivating dormant neurons...
41531099
Polarize the Solvent to Regulate the Intermediate Phase and Dynamic Crystallization of Perovskite Films.
Perovskite solar cells (PSCs) have demonstrated substantial potential due to their superior optoelectronic performance, but rapid and often poorly controlled crystallization during dynamic solution processing frequently leads to defective crystal growth and compromised film quality. Herein, we introduce a strategy util...
41530971
Dynamic and Interfacially Reinforced Surfactant for Ionic Liquid Microemulsions in Supercritical CO&lt;sub&gt;2&lt;/sub&gt;.
The development of efficient, environmentally benign surfactants for stabilizing microemulsions in supercritical carbon dioxide (scCO<sub>2</sub>) remains a significant challenge for enhanced oil recovery (EOR), owing to the historical reliance on fluorinated compounds and the poor stability of conventional surfactants...
41530970
Three-Dimensional Honeycomb-like Pb-MOF with Multiple Sites for Selective Gas Adsorption and Efficient CO<sub>2</sub> Catalytic Conversion.
One novel honeycomb-like Pb<sup>2+</sup>-based metal-organic framework [Pb(dtzip)<sub>0.5</sub>(H<sub>2</sub>O)]·NMP·2H<sub>2</sub>O (H<sub>4</sub>dtzip = 4,6-di(1H-tetrazol-5-yl) isophthalic acid, NMP = <i>N</i>-methyl-2-pyrrolidone) was synthesized through solvothermal reaction of Pb<sup>2+</sup> ions with the azolat...
41530941
Plasmonic Porous Multicore@shell Silver@zeolitic Imidazolate Framework-8 Nanoparticles as Synergistically Enhanced Surface-Enhanced Raman Scattering Platforms for Nanomolar-Trace Detection of Diverse Analytes.
Surface-enhanced Raman scattering (SERS) is among the most sensitive molecular detection techniques, capable of reaching the single-molecule level. However, extending its utility beyond a narrow sensitive class of molecules is hampered by the difficulty of probing species with intrinsically weak Raman responses and poo...
41530878
Effects of sheep follicular fluid-derived exosomes and miR-148a on theca cell function in vitro.
<h4>Background</h4>Exosomes facilitate intercellular communication by transporting proteins, nucleic acids, and other biomolecules, impacting recipient cell functions. In follicular development, exosomes from follicular fluid, secreted by granulosa cells, oocytes, and theca cells (TCs), are essential for follicle healt...
41530858
Supramolecular self-assembly in Traditional Chinese Medicine: molecular mechanisms, material basis of decoction efficacy, compatibility interpretation, and biomedical applications.
Traditional Chinese Medicine (TCM), characterized by multi-component and multi-target pharmacological effects, boasts millennia of clinical application. The complexity of its pharmacological material basis extends beyond individual chemical components to include physical structures formed among constituents. Supramolec...
41530826
Multiomics analysis reveals that chlorogenic acid alleviates heat stress-induced oxidative damage in prepubertal boar testes via the BLVRA-GPX3 pathway: in vivo and in vitro evidence.
<h4>Background</h4>Heat stress (HS) can impair boar testicular function, leading to reproductive issues. However, chlorogenic acid (CGA) has been shown to mitigate HS-induced damage in various livestock and poultry species. Prepuberty is an important stage of testicular development in boars after birth. However, the pr...
41530739
Lung-targeted RNA delivery systems: strategies and therapeutic applications.
Pulmonary diseases, encompassing asthma, lung cancer, chronic obstructive pulmonary disease (COPD), and pulmonary fibrosis, constitute major contributors to global morbidity and mortality, imposing substantial burdens on healthcare systems worldwide. While RNA-based therapeutics have emerged as promising tools for modu...
41530721
Pathology-tailored nanotherapy via Galectin-3-targeted and triple-responsive nanoparticles enables multimodal therapy against aortic dissection.
Aortic dissection (AD) is a life‑threatening vascular disorder with high mortality and no effective pharmacological treatment. Addressing its multicellular and dynamic pathology requires strategies that precisely modulate inflammatory and degenerative processes, yet existing targeted delivery approaches lack the spatio...
41530673
ReaGP: integrating residual units and attention mechanisms in convolution neural network for genomic prediction.
<h4>Background</h4>Various methods have been widely utilized to estimate the genomic breeding values (GEBVs) for genomic prediction. Traditional approaches often relied on the assumption of linear regression models, which struggle to effectively capture the nonlinear relationships between limited phenotypic data and hi...
41530662
The SINE in CDR2 gene associated with the resistance to lung diseases in Xiang pigs.
Xiang pig is a native inbred line originating from a warm and humid mountainous region and is prone to infections by pathogens causing lung lesions. However, the underlying genetic factors still remain unclear. Our previous genomic resequencing comparisons found a deletion type of structural variation (SV) within the i...
41530652
Large-Area Supramolecular Crystalline Thin Films of Polyoxometalates with Controlled 1-nm Pores Enabling Ultra-Selective Molecular Transport.
Achieving angstrom-level control over porosity is a long-standing challenge in translating molecular design into selective membranes. We present the supramolecular assembly of crown-type [P<sub>8</sub>W<sub>48</sub>O<sub>184</sub>]<sup>40-</sup> polyoxometalate (POM) by alkylammonium functionalization using [C<sub><i>n...
41530538
Defibrotide for prophylaxis of sinusoidal obstruction syndrome/veno-occlusive disease (SOS/VOD) in pediatric high-risk patients: consensus guidelines from the European Society for Blood and Marrow Transplantation (EBMT).
SOS/VOD is a life-threatening complication of hematopoietic stem cell transplantation, especially in children, with incidences reaching up to 15-20%. Despite efforts, SOS/VOD remains unpredictable with significant morbidity and mortality. High-risk criteria are clearly defined, and the pediatric EBMT diagnostic criteri...
41530520
Transient formation of supramolecular complexes between hyaluronan and oligopeptides at submicromolar concentration.
Charged polymer interactions govern biological and technological processes by altering the structure and dynamics of surrounding water. Studying these interactions across a broad concentration range is challenging, particularly at submicromolar levels where traditional methods lack sensitivity or molecular resolution. ...
41530503
Species-specific structural adaptation of the potyviral coat protein in virions and virus-like particles.
Potyviruses are the largest group of plant positive-sense single-stranded RNA viruses and represent a major economic burden worldwide. Their coat protein (CP) forms a filamentous, flexible capsid around the genomic RNA. However, information is still lacking on the mechanisms of virion assembly, disassembly and stabilit...
41530384
Structural brain differences associated with panic disorder: an ENIGMA-Anxiety Working Group mega-analysis of 4924 individuals worldwide.
Neuroanatomical findings on panic disorder (PD) are typically difficult to replicate, with inconsistent effects. These concerns prompted a paradigm shift towards large-scale collaborations, focused on harmonized data extraction and processing for robust examination of PD brain correlates. Hence, leveraging the largest-...
41530195
A centrally positioned cluster of multiple centrioles in antigen-presenting cells fosters T cell activation.
Cellular polarization plays a crucial role in regulating immunological processes and is often associated with reorientation of the centrosome. During immune synapse formation, centrosome repositioning in lymphocytes assists in T cell activation. While a single centrosome, consisting of two centrioles, is present in T c...
41530190
Injectable hydrogels for osteomyelitis treatment induce metabolic reprogramming for protection against reinfection.
Osteomyelitis, especially multidrug-resistant cases, remains a formidable clinical challenge due to recurrent infections and antibiotic limitations. Here, we present an injectable GaCu<sub>Van</sub>&HA<sub>CHO</sub>-BSA hydrogel that self-assembles in situ within the bone marrow cavity-the epicenter of trained immunity...
41530182
Host-guest strategy for full-visible-spectrum piezochromism in halogen-bonded organic frameworks.
Full-visible-spectrum piezochromism is vital for advanced anti-counterfeiting and storage device applications, yet remains challenging. Polycyclic aromatic hydrocarbons represent a promising class of piezochromic materials. However, pressure-induced structural disorder severely limits their performance by causing photo...
41530171
Glassy adhesion dynamics govern transitions between sub-diffusive and super-diffusive cancer cell migration on viscoelastic substrates.
Cell migration is pivotal in cancer metastasis, where cells navigate the extracellular matrix (ECM) and invade distant tissues. While the ECM is viscoelastic, exhibiting time-dependent stress relaxation, its influence on cell migration remains poorly understood. Here, we employ an integrated experimental and modeling a...
41530098
Catalytic Asymmetry Dictating Emergent Dynamics and Self-Assembly in Janus Dimer Pairs.
An understanding of motor pairing dynamics as governed by two-body interactions underpins the elucidation of their self-assembly and collective behavior. In this work, we employ a hybrid molecular dynamics-multiparticle collision dynamics (MD-MPC) approach to develop a particle-based model of a Janus-sphere dimer motor...
41530081
Inferring DNA Kinkability from Biased MD Simulations.
In several biological processes, such as looping, supercoiling, and DNA-protein interactions, DNA is subject to very strong deformations. While coarse-grained models often approximate DNA as a smoothly bendable polymer, experimental and theoretical studies have demonstrated that mechanical stress can induce localized k...
41530048
&lt;i&gt;Panax ginseng&lt;/i&gt;-derived Exosome-like Nanoparticles Prevent LPS-induced Septic Shock by Modulating TLR4 Glycosylation in Macrophages.
Macrophages play a crucial role in the pathophysiology of sepsis, serving as central regulators of both disease onset and progression. Among the therapeutic agents investigated to modulate macrophage-driven inflammation, compounds extracted from the roots of <i>Panax ginseng</i> have been distinguished for their potent...
41529716
Brain-Targeting Metal-Organic Framework Nanoplatform Reprogramming Ferroptosis Sensitivity of Glioblastoma.
Ferroptosis has emerged as a promising therapeutic approach for the treatment of glioblastoma (GBM). However, the efficacy of ferroptosis is limited by the low expression of acyl-coenzyme A synthetase long-chain family member 4 (ACSL4) in GBM cells, a key enzyme that orchestrates ferroptosis by catalyzing polyunsaturat...
41529264
Separation-Free Extracellular Vesicle Microribonucleic Acid Profiling Using Structurally Oriented Membrane Fusion and Spatially Confined Amplification.
Current methods for profiling of extracellular vesicle (EV) microRNAs (miRNAs) involve either PCR or sequencing analysis of EV lysate or delivery of RNA probes into EVs for <i>in situ</i> hybridization, which suffer from complex protocols and low delivery efficiency/limited sensitivity, respectively. To overcome this l...
41529248
Dual-Spin Centers in a Grid-like Covalent Organic Framework Promote Near-Unity CO<sub>2</sub> Electroreduction.
Spin manipulation has emerged as a promising strategy for enhancing molecular electrocatalytic performance. However, precisely controlling dual spin centers and delineating their contribution to reaction kinetics remain a considerable challenge. Herein, we demonstrate that incorporating quinone moieties into a grid-lik...
41529245
Structural Engineering of a Zn&lt;sub&gt;4&lt;/sub&gt;O-Based Metal-Organic Framework via Geometric Deformation of Secondary Building Units for Enhanced Trace Benzene Adsorption.
Conformation engineering of building units has shown great potential in metal-organic frameworks (MOFs), enabling the construction of novel architectures with distinct topologies and thereby enriching the structural diversity of MOFs. However, research associated with the geometrically deformable metal-containing units...
41529197
Discovery of a Covalent Small-Molecule eEF1A1 Inhibitor via Structure-Based Virtual Screening.
Pancreatic cancer remains a formidable health challenge due to its late-stage diagnosis and limited therapeutic options, underscoring the need for novel targets and modalities. Our previous work revealed that the natural product, BE-43547A<sub>2</sub>, could effectively inhibit the progression of pancreatic cancer by t...
41529168
Assembly of Tetrahedral Units in the Atomic-Resolved Structural Evolution of Gold Nanostructures.
Materials achieve complexity from simple building blocks, yet directly capturing the atomic pathways of their dynamic assembly has remained a long-standing challenge. Here, we employ atomically precise gold nanoclusters as a model system to resolve a tetrahedral assembly toward [Au<sub>25</sub>(SR)<sub>18</sub>]<sup>-<...
41528647
In situ synthesized Van-ZIF-8 functionalized electrospun PCL membrane with pH-responsive dual functionality for oral guided bone regeneration.
Guided bone regeneration (GBR) is a critical regenerative strategy for repairing periodontal tissues and craniofacial bone defects. It can establish space to prevent undesirable soft tissue invasion and improve bone regeneration. However, commercially available GBR membranes have some disadvantages in terms of biocompa...
41528558
Dextran-based stimuli-responsive hydrogels for smart dressings in wound healing.
The skin, the largest organ of the human body, plays a crucial role in maintaining homeostasis and protecting against external influences. Although it possesses remarkable self-healing capabilities, severe or chronic injuries often necessitate external intervention. In this context, wound management and targeted drug d...
41528540
Molecular Mechanisms and Therapeutic Potential of Degron-Mediated Proteostasis Regulation in Neurodegenerative Diseases.
Aberrant aggregation of specific proteins-such as amyloid beta, α-synuclein, tau, TDP-43, and PrPSc-is a hallmark anomaly in the brain micro-environment, leading to a cascade of pathological events including neuroinflammation, neuronal death, cognitive impairment, and memory loss. The dysregulation in cellular protein ...
41528513
Ecological and functional dynamics of gut microbiota in the model insect, silkworm Bombyx mori.
The silkworm (Bombyx mori) has emerged as a powerful invertebrate model for gut microbiome research due to its simple yet representative gut microbiota, cost-effective rearing, and established germ-free systems. This review synthesizes current knowledge on the ecological drivers and functional roles of silkworm gut mic...
41528187
Hydrogels for acne treatment: a systematic review and meta-analysis of clinical trials.
<h4>Aim</h4>Hydrogels are three-dimensional, water-rich polymer networks that enhance drug delivery, hydration, and tolerability in topical acne therapy. This systematic review and meta-analysis evaluated the efficacy and safety of hydrogel-based formulations for acne treatment.<h4>Methods</h4>Systematic search of PubM...
41528133
Ferrocene-Based Zr/Ni Bimetal-Organic Frameworks for Ratiometric Aptamer Sensors Enabling Efficient Dopamine Detection.
To meet the demand for highly sensitive detection of dopamine (DA) in the diagnosis of neurological diseases, this study developed a ratio-type electrochemical biosensor based on MXene-enhanced bimetallic conductive metal-organic frameworks (ZrNi-Fc MOF). The introduction of Ni significantly improved the conductivity a...
41528127
Establishing synthetic ribbon-type active zones in a heterologous expression system.
Encoding of several sensory modalities into neural signals is mediated by ribbon synapses. The synaptic ribbon tethers synaptic vesicles at the presynaptic active zone (AZ) and may act as a super-scaffold organizing AZ topography. Here, we employed a synthetic biology approach to reconstitute structures mimicking ribbo...
41528067
A Series of Pyrazolo-Quinazoline Amines Inhibits the Cytochrome &lt;i&gt;bd&lt;/i&gt; Oxidase in &lt;i&gt;Mycobacterium tuberculosis&lt;/i&gt;.
The <i>Mycobacterium tuberculosis</i> cytochrome <i>bcc:aa</i><sub>3</sub> (cyt-<i>bcc:aa</i><sub>3</sub>) oxidase is a validated drug target for tuberculosis treatment. In addition to telacebec (Q203), a clinical-stage drug candidate, several preclinical cyt-<i>bcc</i>:<i>aa</i><sub>3</sub> inhibitors have been report...
41528041
In Situ Polymerization of Vinyl-Functionalized Perovskite for Polarity-Switching Photoelectrochemical Enantioselective Sensing.
Sensitive detection and enantioselective discrimination of chiral molecules remain significant challenges in the field of sensing. Herein, we present a polarity-switching photoelectrochemical (PEC) sensing platform based on the in situ polymerization of vinyl-functionalized perovskite for highly sensitive enantioselect...