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41952430 | The Role of Negative Pressure Therapy in Diabetic Foot Ulcer: A Meta-Analysis. | Diabetic foot ulcer (DFU) is a severe complication, often leading to amputation. Negative pressure wound therapy (NPWT) is an advanced treatment option requiring further consolidated evidence. This study evaluated the effectiveness and safety of NPWT versus conventional wound care for DFU, focusing on wound healing, am... |
41950756 | Oral administration of recombinant Lactobacillus plantarum co expressing FimB, CnaA, NetB and FBA antigens targeting chicken dendritic cells provides effective protection against necrotizing enteritis in broilers. | Necrotic enteritis (NE), an acute intestinal disease of broilers caused by Clostridium perfringens, poses a significant threat to global poultry production. The ban on antibiotic growth promoters in feed, particularly in the EU since 2006, has exacerbated this problem, leading to a resurgence of NE and substantial econ... |
41950679 | Chelator-free nanocellulose hydrogels as a biobased alternative for patina removal in bronze heritage objects. | The removal of active corrosion layers from bronze heritage objects is a critical conservation challenge, requiring methods that balance cleaning efficiency with surface preservation and environmental sustainability. Traditional chemical treatments often rely on chelating agents loaded into hydrogels, which can pose ri... |
41950680 | Nanoarchitectonics of peptide-silk fibroin hydrogel as a cell reservoir for volumetric muscle loss therapy. | Cell transplantation is an effective treatment for volumetric muscle loss (VML), but current cell carriers do not provide an ideal environment for transplantation. This study developed a peptide-regulated silk fibroin (SF) hydrogel as a cell reservoir for VML repair. By incorporating amphiphilic peptides, we disrupted ... |
41950622 | A stable Cd(II) metal-organic framework as a fluorescence sensor for nitrofuran antibiotics and vitamin B1/B9 in living cells. | The escalating threat of antibiotic resistance, fueled by drug misuse, coupled with the health risks posed by vitamin deficiencies, underscores a critical demand for efficient detection technologies. Herein, a novel V-shaped organic compound containing 2,1,3-benzothiadiazole (BTD) group, 4,4'-(benzo[c][1,2,5]thiadiazol... |
41949090 | Third-order exchange-induction-dispersion energy in symmetry-adapted perturbation theory without single-exchange approximation. | In symmetry-adapted perturbation theory (SAPT), the exchange corrections are often calculated utilizing the so-called single-exchange or S2 approximation, that is, by approximating the antisymmetrizer of the whole system by permutations of a single pair of electrons between weakly interacting subsystems. The error intr... |
41948978 | Enzyme-Assisted Synthesis and In Vitro Characterization of Bifunctional PCSK9 Inhibitors. | Proprotein convertase subtilisin/kexin type 9 (PCSK9) is a well-established target for lowering cholesterol and is abundantly present in the extracellular space. Inhibitors of PCSK9 have achieved marked success in the clinic, but an alternative strategy for therapeutic modulation is emerging through the degradation of ... |
41948944 | Exosomal miR-199a-3p From Dermal Papilla Cells Regulates Hair Follicle Pigmentation by Targeting POU2F1 in Melanocytes. | To elucidate the paracrine regulatory mechanism of dermal papilla cells (DPCs) on melanocyte (MC) melanogenesis, we focused on exosomal miR-199a-3p as a key mediator. DPCs, MCs, and DPC-Exos were identified by immunofluorescence, Western blot (WB), nanoparticle tracking analysis (NTA), and transmission electron microsc... |
41947997 | Novel Pyrazole-3-Cyano-2-Pyridinone Hybrids as Multitarget Anti-Inflammatory Agents: Synthesis, Computational Modeling, and Biological Evaluation. | <h4>Introduction</h4>The development of multi-target anti-inflammatory agents represents a promising strategy to improve therapeutic efficacy while minimizing adverse effects associated with single-target drugs. In this study, a rational hybridization approach was employed to design pyrazole/3-cyano-2-pyridinone hybrid... |
41947587 | Use of Zinc-Gallic Acid Metal-Organic Framework for Remediation of Wastewater and Improvement of Physiological and Antioxidant Activities in Triticum aestivum. | Industrial wastewater has emerged as a significant environmental issue due to its adverse effect on plant growth, soil, and other living organisms. Crops near cities are frequently irrigated using wastewater under conditions of water scarcity. Wastewater needs to be treated effectively so that it can be reused to irrig... |
41945784 | Synthesis, Structure, and Thin Film Optical Properties of a Chiral Benzothiazole-Derived Squaraine. | Through functionalization with enantiomerically pure substituents, semiconducting dye molecules such as squaraines can be directed into homochiral arrangements, in which molecular chirality is transferred to a supramolecular level resulting in excitonic circular dichroism. Replacing the sterically demanding CMe 2$_2$ g... |
41944664 | Targeting the Hedgehog Signaling Pathway in the Retina Using Quercetin-Loaded Lipid Nanoparticles for Myopia Control. | <h4>Purpose</h4>Myopia is emerging as a major global health concern, with the prevalence increasing to nearly epidemic levels. Currently, its pathogenesis and treatment methods still must be further studied. This study aimed to explore the therapeutic efficacy of quercetin in myopia control and attempt to decipher the ... |
41943423 | Mechanism of Gzma-mediated GEF-H1 activation in intestinal epithelial cells leading to intestinal barrier dysfunction in sepsis. | <h4>Background</h4>Sepsis-induced intestinal injury is a severe complication associated with dysfunction affecting multiple organ systems and a significantly elevated risk of death. Intestinal barrier dysfunction plays a central role, but the underlying molecular pathways remain incompletely understood. The present stu... |
41940491 | Synthesis and Application of β-Cyclodextrin Microcapsules Containing Hydantoin and Menthol Essential Oil via Double Emulsion Polymerization. | Rising demand for textiles combining odor control, antibacterial properties, and ultraviolet (UV) protection has stimulated interest in durable functional finishing approaches. Microcapsules were prepared using 5-propylhydantoin (PHDT) and menthol essential oil as dual cores, encapsulated within a polyurethane shell in... |
41940403 | Bridging heterogeneous and homogeneous catalysis in carbon dioxide valorization. | The valorization of carbon dioxide (CO<sub>2</sub>) into fuels and chemicals represents both a scientific challenge and an opportunity for sustainable energy transition. This review bridges heterogeneous and homogeneous approaches, highlighting how molecular precision and materials robustness can converge to address th... |
41939991 | Microchemical Analyses of Otoliths Reveal Habitat Differentiation Between a Sympatric Species Pair in the Coastal Waters of China. | While secondary contact between distant lineages or sister species is a common evolutionary outcome, the factors that promote their coexistence are often unknown, especially for marine species. Focusing on two sister fish species from the East China Sea, <i>Bostrychus donghaiensis</i> and <i>B. sinensis</i>, it was ass... |
41939201 | Biosynthetic formation of the 6/7/5-odyverdiene diterpenes via a 6/10-<i>trans</i>-eunicellanyl intermediate. | Odyverdienes are a rare class of bacterial diterpenes possessing 6/8/4- or 6/7/5-tricyclic skeletons and the cyclization mechanism underlying their formation remains unknown. Based on their skeletons, we hypothesized that their tricyclic skeletons pass through a neutral or cationic 6/10-eunicellane intermediate. Here, ... |
41938171 | Blood-Brain Barrier: Structure, Function, Diseases, and Drug Delivery Systems. | The blood-brain barrier (BBB) is a highly selective and dynamic neurovascular interface essential for maintaining central nervous system homeostasis. This specialized barrier comprises brain microvascular endothelial cells interconnected by tight junctions, supported by pericytes and astrocytic end-feet within the neur... |
41937892 | Advances in Optical Tissue Clearing for Three-Dimensional Ocular Imaging and Analysis. | The visualization of tissue architecture has long been constrained by optical absorption and scattering phenomena. Recent advances in optical tissue clearing techniques have revolutionized deep tissue imaging by overcoming these fundamental limitations, enabling high-resolution microscopic examination of intact organ s... |
41937622 | Membrane interaction of cyanobacterial and chloroplast ESCRT-III proteins. | More than three decades ago, the inner membrane-associated protein of 30 kDa (IM30), also known as Vipp1, was identified in pea chloroplasts to bind to the chloroplast inner envelope membrane. IM30/Vipp1 is a membrane-associated and soluble stromal protein and is proposed to mediate vesicle formation. Furthermore, it i... |
41937490 | Targeting BCL-xL in Myeloid Malignancies: From Inhibitors to PROTAC. | Restoring apoptosis in malignant cells represents a central goal of anticancer therapy. Tumour cells often escape cell death by overexpressing anti-apoptotic members of the BCL-2 protein family, particularly BCL-2, BCL-xL, and MCL1. These proteins inhibit the intrinsic mitochondrial apoptotic pathway through intricate ... |
41936543 | Molecular Photogearing for Controlling Rotary Motion at the Nanoscale. | Means to control rotary motion at the nanoscale are central to the design and operation of artificial molecular machines powered by such motion. For this task, it is natural to consider molecular gears, which are characterized by their ability to perform coupled rotations around two (or more) chemical bonds. However, m... |
41935482 | Smartphone-assisted fast detection of Total antioxidant capacity in fruit and vegetable food based on the excellent peroxidase-like property of Fe-MOF. | The total antioxidant capacity (TAC) has received increasing attention for the evaluation of food quality in recent years. In this work, we reported on a novel Fe-MOF material, which exhibited excellent peroxidase-like properties. Based on this property, smartphone-assisted fast detection of TAC in fruit and vegetable ... |
41934335 | The tissue distribution and pharmacokinetics of [14C]-olorofim following intravenous dosing in the rat. | <h4>Objectives</h4>To evaluate the penetration of olorofim, a novel antifungal agent into the tissues of the rat.<h4>Materials and methods</h4>Quantitative whole-body autoradiography was used to assess the distribution and tissue penetration in male and female rats following a single 2-hour IV infusion of [14C]-olorofi... |
41932672 | Unraveling the therapeutic potential of neochlorogenic acid Cu-supramolecular complexes in acute lung injury: Targeting PI3K/NF-κB/iNOS pathway through spatial metabolomics-guided. | <h4>Background</h4>Acute lung injury (ALI) and acute respiratory distress syndrome (ARDS) are severe respiratory diseases with high global incidence and mortality. Current therapeutic approaches remain limited, necessitating urgent development of novel treatments. Supramolecular complexes have gained attention in biome... |
41932497 | Self-assembled Nano-PROTACs: bridging chemical design and biological barriers in targeted protein degradation. | Self-assembled Nano-PROTACs represent an emerging class of programmable supramolecular degraders that integrate targeted protein degradation with nanoscale delivery to overcome the intrinsic limitations of conventional PROTACs. Conventional PROTACs are often constrained by poor solubility, limited membrane permeability... |
41932480 | Effective sequestration of toxic hexavalent chromium ions from aqueous solution using L-methionine-supported Zr-MOF integrated into a chitosan scaffold. | Rapid industrialization in recent times has resulted in a detrimental impact on the water medium, posing a significant risk to human health. For instance, several health hazards are encountered with heavy metal pollution, particularly chromium contamination, which is a recognized issue. In this study, zirconium MOF and... |
41932416 | Altered bone structure in Niemann-Pick Type C1 mice, especially in females. | Niemann-Pick type C disease (NPC) is a rare lysosomal storage disorder belonging to the group of sphingolipidoses and is caused by a genetic defect affecting cholesterol trafficking. Since other sphingolipidoses with lipid accumulations show disrupt bone, this study investigated bone structure in an Npc1 mouse model an... |
41931970 | Construction of nicotinic acid derived bimetallic doped Ce-MOF with switchable dual enzyme-mimic activities for effective colorimetric sensing of chromium(Ⅵ) and fluoride ions. | Given the considerable environmental and public health hazards associated with toxic chromium(VI) ions and excessive fluoride (F<sup>-</sup>) consumption, the development of rapid, straightforward, and visually discernible detection methods is essential for alleviating their detrimental impacts. This study introduces a... |
41931005 | The Multifaceted Legacy of Thalidomide: Chemistry and Biology Driving Modern Drug Design. | Thalidomide represents one of the most instructive case studies in modern medicinal chemistry, embodying both a historic pharmaceutical tragedy and a remarkable example of drug repurposing and molecular reinvention. Initially introduced as a sedative and antiemetic, its catastrophic teratogenic effects reshaped global ... |
41930905 | Dielectric relaxation and glass transition dynamics in melt-quenched ZIF-62 glass. | Metal-organic framework (MOF) glasses have recently emerged as a distinct class of coordination materials with properties inaccessible in their crystalline counterparts, yet their glassy-state dynamics remain largely unexplored. Here, we report a comprehensive dielectric spectroscopic study of a ZIF-62-based MOF glass,... |
41929354 | Electrospun nanofiber membrane of chitosan/polyvinyl alcohol embedded with DOX-loaded V-MOFs for controlled drug release and multifunctional biological activity. | The integration of doxorubicin-loaded vanadium metal-organic frameworks (DOX@V-MOFs) into chitosan/polyvinyl alcohol (CS/PVA) electrospun nanofiber membranes has resulted in a novel multifunctional, stimuli-responsive drug delivery system. This hybrid platform was synthesized <i>via</i> one-step electrospinning and cha... |
41929351 | Dual-function silver nanoparticles catalyst supported on ZnO nanoparticles from plant extract: high-TOF hydrogen generation and fast photocatalytic tetracycline removal. | A green hybrid AgNPs@ZnO nanocomposite (NC) was prepared, employing <i>Cyperus scariosus</i> root extract as a natural reducing and stabilizing agent. The prepared nanostructure was thoroughly investigated <i>via</i> UV-vis, Fourier Transform Infrared Spectroscopy (FTIR), X-ray Diffraction (XRD), Scanning Electron Micr... |
41928895 | Bioinspired bioadhesion: translating nature's adhesive strategies into regenerative medicine. | In nature, many organisms, such as mussels, geckos, tree frogs, octopuses, and salamanders, have evolved remarkable bioadhesion strategies, that enable them to attach to wet environments, climb vertical or inverted surfaces, and capture preys. These strategies rely on chemical interactions mediated by secreted bioadhes... |
41928432 | Targeting Ferroptosis With Natural Products for the Treatment of Skeletal System Disease: An Updated Review. | Skeletal system diseases, encompassing chronic disorders of the skeletal system which commonly include osteoarthritis, rheumatoid arthritis, osteoporosis and osteosarcoma. Their incidence rates have been increasing in recent years, resulting in significant social and economic burdens. However, their pathogenesis remain... |
41928391 | Photoreductive Degradation of Fe(III)-Catechol Crosslinked Hydrogels under Visible Light. | Hydrogels that degrade in response to external stimuli have attracted interest as dynamic materials for controlled release and biomedical applications. Light is particularly appealing as a non-invasive trigger, yet most photodegradable hydrogels rely on ultraviolet irradiation, which can induce cellular damage dependin... |
41926723 | A CSN5-dependent protein degradation pathway underlies diatom resilience to high temperature. | Global warming causes a serious threat to the productivity and species composition of marine diatoms which dominate marine ecosystems and possess immense ecological significance. However, the molecular basis of their high-temperature adaptation remains enigmatic. Here, we focused on the Constitutive Photomorphogenesis ... |
41925167 | Tackling Orientational Isomerism in Metal-Organic Frameworks Comprising Low-Symmetry Linker Molecules via Simulated Annealing Featuring a Neural Network Potential. | The perplexing structural diversity of metal-organic frameworks (MOFs) leads to astonishing unique properties and versatile potential technological applications of this porous materials class. However, whenever the organic linker molecules in a specific MOF compound may adopt multiple spatial orientations in-between th... |
41925158 | Translational control of Toxoplasma gondii differentiation. | Toxoplasma gondii is a globally prevalent protozoan parasite capable of establishing lifelong infections in its host. While acute infection is often asymptomatic, reactivation of latent bradyzoites can cause severe disease, particularly in immunocompromised individuals. Current therapies are ineffective against chronic... |
41925102 | Mining Key Genes Associated With Mature Body Size and Weight Traits in Huameng Meat Sheep Based on GWAS and ROH Islands Identification. | Mature body size and weight of sheep are important traits that significantly influence mutton yield and economic benefits of sheep farming. The exploration for key genes underlying these traits will facilitate the advancement of molecular breeding in meat sheep. In this study, key candidate genes for five body size tra... |
41923454 | Residue-Level Affinity Decomposition via Quantum Electron Density: A Multivariable Framework Applied to HIV-1 Protease Inhibitors. | Understanding the molecular determinants that govern protein-ligand binding remains a central challenge in computational chemistry and rational drug design. Here, we introduce a quantum-informed, residue-level affinity decomposition framework that integrates experimental thermodynamic data with multivariable modeling o... |
41923426 | Folding-Mediated Self-Assembly of Sterically Demanding π-Luminophore Dyads into Nanotubes Exhibiting Multidirectional Exciton Transport. | The hierarchical self-assembly of folded proteins into functional nanostructures has long served as a conceptual foundation for designing synthetic polymer systems. However, the efficacy of folding-based strategies in small-molecule assemblies remains largely unproven. Here we show that sterically demanding, highly emi... |
41923348 | Solvent-Driven Competition of Chirality Transfer in Cyanostilbene-Based Dipeptide Amphiphiles and Correlating Supramolecular Helicity with Cell Proliferation. | While chiral nanostructures have been fabricated across multiple hierarchical levels, the chirality transfer and amplification from molecular to supramolecular assemblies remain poorly understood, particularly in multichiral systems. Although helical nanofibers significantly influence cellular adhesion, the role of mol... |
41923347 | Cyclodextrin Metal-Organic Framework With Amino Acid Chiral Ligands for Capillary Electrochromatographic Enantioseparation. | Metal-organic frameworks (MOFs) are widely used in the field of chromatographic separation due to their unique properties. A vapor diffusion method was used to synthesize the cyclodextrin MOF (CD-MOF) with D-histidine (D-His) as a chiral ligand (D-His-γ-CD-MOF), which was applied to capillary electrochromatography (CEC... |
41923340 | Degree of Polymerization-Regulated Chirality of the Helical Nanopatterns Assembled by Polypeptide Block Copolymers on Homopolymer Nanorods. | Chiral polymer self-assembly represents a powerful strategy for constructing chiral nanostructures; however, the mechanism underlying the evolution of chirality from molecular polymers to nanostructures is still not well understood. Especially, regulating the chirality of assemblies under external conditions without ch... |
41923325 | Metal-Organic Framework DNA Hydrogel Microspheres Enable Ferroptosis-Based Therapy for Esophageal Squamous Cell Carcinoma. | Esophageal squamous cell carcinoma (ESCC) remains a challenging malignancy due to limited therapeutic efficacy of conventional chemotherapy, which is often hampered by drug resistance and systemic toxicity. Ferroptosis, an iron-dependent regulated cell death mechanism, has emerged as a promising strategy for cancer tre... |
41923293 | Computer-Based Design to Improve Bacillus thuringiensis Chitinase for Industrial Applications. | Chitin serves as a vital biopolymer across multiple industrial biotechnology sectors, and its extraction from seashell waste through enzymatic bioconversion offers an efficient and environmentally sustainable approach. Chitinase plays a key role in this process; however, strategies to enhance its catalytic performance ... |
41923125 | Functionalized metal-organic framework-based photosensitive hydrogel eye drops for inhibition of corneal neovascularization and promotion of epithelial repair. | <h4>Background</h4>Corneal neovascularization is a common pathological feature of various corneal disorders, often leading to severe visual impairment or blindness. Current therapeutic approaches are limited by low bioavailability and considerable side effects. The development of corneal neovascularization is closely a... |
41922904 | Resolving Solution-Synthesized Graphyne-Graphdiyne Macromolecules at the Angstrom Level. | Syntheses of low-dimensional macromolecules with increasing size and complexity in solution pose substantial challenges in terms of their precise structural characterization. Electrospray ionization coupled with scanning tunneling microscopy (ESI-STM) has emerged as a promising tool for the characterization of these no... |
41922429 | Woodchuck and deer Hepatitis Delta-like agents show distinct innate immune activation and IFN-resistance compared to human Hepatitis D Virus. | Replication of human hepatitis delta virus (HDV) is sensed by the pattern recognition receptors (PRRs) melanoma differentiation antigen 5 (MDA5) and Laboratory of Genetics and Physiology 2 (LGP2), activating interferon (IFN) responses. Both HDV-induced IFNs and exogenously administered IFN-α and -λ suppress HDV RNA spr... |
41922190 | Inverse Design of Metal-Organic Polyhedra through Molecular Fragmentation and Evolutionary Optimisation. | Reticular materials have come to the fore of chemistry with exceptional potential in applications ranging from CO<sub>2</sub> capture and chemical separations to catalysis and drug delivery. However, due to the vast combinatorial space of molecular building blocks that can form these materials, designing high-performin... |
41922024 | Differential association of fluticasone furoate and budesonide with clinically detected COVID-19: a retrospective cohort study. | <h4>Objectives</h4>To assess whether fluticasone furoate (FF) use, compared with budesonide (BUD), is associated with fewer clinically detected COVID-19 events among inhaled corticosteroids (ICS) users, and to explore virus-specificity using influenza as a comparator outcome. We hypothesised that FF may provide strong ... |
41921967 | Origin of the <sup>31</sup>P NMR Chemical Shift in Lewis Acid Adducts of Triethylphosphine Oxide. Does the Gutmann-Beckett Method Relate to Lewis Acid Strength? | The Gutmann-Beckett method involves the reaction of a phosphine oxide with a Lewis acid, followed by measurement of the change in <sup>31</sup>P NMR chemical shift (Δδ) relative to the free phosphine oxide. This is the most commonly used experimental method to assess Lewis acid strength in solution and on solid materia... |
41921191 | Development of a Reverse-Phase High-Performance Liquid Chromatography Method for Simultaneous Quantification of Tofacitinib Citrate and Berberine Chloride in Bulk, Injection and Plasma. | The main aim of this study was to develop and validate a new reverse-phase high-performance liquid chromatography (RP-HPLC) method for the simultaneous estimation of tofacitinib citrate (TFC) and berberine chloride (BBC) in pharmaceutical injection formulations and blood plasma. An isocratic RP-HPLC method was used wit... |
41921096 | BA-Pred and RMSD-Pred: Integrated Graph Neural Network Models for Accurate Protein-Ligand Binding Affinity and Binding Pose Prediction. | Accurate prediction of protein-ligand bound poses and their affinities is essential in structure-based drug discovery. Here, we present an integrated deep-learning framework that disentangles the two core tasks─affinity estimation and pose evaluation─within complementary graph neural network architectures. BA-Pred is f... |
41921099 | Multiresponsive Intelligent Probe Based on Catalase@MOF-Copper for Dynamic On-Site Sensing. | The determination of biological and chemical factors is important to public health. Herein, we present a metal-organic framework (MOF)-assisted tunable copper hyperprobe (MATCH) for the dynamic on-site detection of diverse targets, including nucleic acids, proteins, antibiotics, and ions. MATCH is synthesized in an ult... |
41921075 | A High-Purity Ethylene Epoxide Stream Produced Using a Supported Electrocatalyst. | Demand for ethylene oxide (EO)─a chemical building block for plastics─exceeds 30 Mt/year. Electrosynthesis of EO from ethylene has, in the highest-activity reports to date, relied on redox-mediated approaches; these lead to chlorinated organic byproducts and high product separation costs due to dilution in solvents as ... |
41921065 | Golden Molecular Tweezers: Dinuclear Corannulene-Au(I) Acetylide Hosts for Fullerene Binding. | A series of homonuclear bimetallic organometallic complexes bearing two Au(I) atoms and two corannulene fragments have been synthesized, and their fullerene recognition properties were extensively studied in solution. The tether groups were diphosphine ligands with variable rigidity (namely, dppe, dppf, dppbenz, and xa... |
41920993 | A periplasmic protein complex mediates arabinofuranosyltransferase activity and intrinsic drug resistance in <i>Mycobacterium tuberculosis</i>. | The intrinsic drug resistance of <i>Mycobacterium tuberculosis</i> (Mtb) is a major barrier to effective tuberculosis (TB) treatment and is largely due to its complex, impermeable cell envelope. We identified a periplasmic protein complex comprising FecB and Rv3035 that is essential for maintaining envelope integrity a... |
41920955 | Expanding the LuxR-type receptor functional repertoire: Protein-protein interactions in quorum sensing regulation. | Quorum sensing (QS) enables bacteria to coordinate gene expression in response to population density, with LuxR-type transcription factors playing a central role in this process for many Gram-negative species. Traditionally understood as ligand-activated transcriptional regulators, LuxR-type proteins are increasingly r... |
41920812 | Computational prediction of binding affinity and structural impact of three Pakistani SARS-CoV-2 spike RBD variants on human ACE2 interaction. | Despite the current development and progress in vaccine synthesis, the transmission and infection rate of new variants of SARS-CoV-2 is still challenging in developing countries like Pakistan. Previous studies reported the transmission of new virus variants associated with the mutation in spike protein particularly in ... |
41920033 | Ultra-Stable, High-Capacity Anodes Based on Redox-Active COF Nanotubes for Extreme-Temperature K-Ion Batteries. | Covalent organic framework (COF) materials with molecule-level functionality show great promise as anode materials for K-ion batteries (KIBs). However, their practical application is hindered by limited capacity and poor cycling stability, especially under extreme temperatures. These issues stem from the large ionic si... |
41919963 | Biphasic Scaffolds Functionalized with Piezoelectric Nanozymes for Osteochondral Defect Regeneration. | Osteochondral defects remain clinically refractory due to the limited intrinsic repair capacity of avascular cartilage, inflammation, and reactive oxygen species (ROS). Herein, we develop an integrated biphasic osteochondral scaffold that couples mechanoelectrical stimulation with redox microenvironment regulation. CeM... |
41919964 | Supramolecular Control of Fullerene Recognition and Reactivity through Nanocapsule Confinement. | ConspectusFullerenes have a wide range of applications across biomedicine, electronics, and nanotechnology, yet their broader application depends on the ability to control their molecular recognition and chemical reactivity. Supramolecular host-guest chemistry offers powerful opportunities in this context by enabling s... |
41919732 | Enhanced Chemiresistive Sensor Performance through Superior Accessibility to Metal Complex Sites via Triptycene-Skeleton Coordination Nanosheets. | Conventional chemiresistive sensors based on metal oxide semiconductors offer high sensitivity, fast response, and low cost. However, the requirement for high-temperature operation is a major issue. Recently, conductive π-conjugated coordination nanosheets composed of metal ions and π-conjugated planar ligands have att... |
41919735 | Alpha-Tocopherol-Conjugated DNA Tetrahedron with Enhanced Cellular Uptake and Cytotoxicity for Cancer Therapeutics. | Cancer remains one of the most fatal diseases worldwide. Current therapies often lack specificity and cause toxicity to healthy tissues. DNA nanotechnology, an emerging interdisciplinary field, facilitates the design of programmable, biocompatible, and structurally precise DNA-based nanostructures, with promising appli... |
41919710 | Threadings of interlocked ring polymers in melts. | Topology and topological effects play a key role in the conformational and dynamic properties of polymer chains in varying situations. Among others, threading in ring polymers emerges as a unique topological phenomenon due to a combinational effect of polymer entanglement and the circular topology of the rings. In this... |
41919715 | Out-of-time-order correlators bridge classical transport and quantum dynamics. | The out-of-time-order correlator (OTOC) has emerged as a central tool for quantifying decoherence across wide-ranging physical platforms. Here, we demonstrate its direct measurement in a classical ensemble using nuclear magnetic resonance with a modulated gradient spin echo sequence and extend the method into a multidi... |
41919698 | The potential energy surface, thermochemistry, and cooperative hydrogen bonding in the water octamer. | The potential energy surface of the water octamer was explored through an extensive stochastic search, followed by MP2/6-311++G(d, p) and DLPNO-CCSD(T) refinement, yielding hundreds of structures grouped into seventy-seven distinct geometrical motifs. These structures were classified according to the topology of the hy... |
41919704 | Capture of the steric trap state in azobenzene MOF thin films using femtosecond transient absorption spectroscopy. | Azobenzene-based metal-organic frameworks (MOFs) are generally used as photoswitches for gas separation, drug transportation, and other functions. The photoswitching function of these materials is mainly determined by the photoisomerization of the azobenzene ligands. A detailed understanding of the excited-state dynami... |
41919526 | A Multiemission MOF-Based Fluorescent Sensor Array Functionalized with pH-Sensitive Dyes for Highly Sensitive Detection and Identification of PFASs. | The pollution of per- and polyfluoroalkyl substances (PFASs) is a worldwide concern for the environment and human health due to their large-scale use and persistent polluting property. Therefore, sensitive sensing and discrimination of PFASs in an aqueous system are of great significance. In this work, two zirconium-ba... |
41919485 | Zinc-Salen Anchored Multidentate Two-Dimensional Metal-Organic Framework for Coupling Photoredox of Oxygen and Benzylamine. | Two-dimensional π-conjugated metal-organic frameworks (2D MOFs) are promising solar-driven catalysts, but often suffer from sluggish charge separation due to insufficient strong electron acceptors. To overcome this, two isostructural and heteroporous 2D MOFs, Zn-HTT, and Zn-HTD were built from multidentate Zn─O<sub>4</... |
41918463 | Bioactivity Profiling of Coronarin A and Villosin Isolated From Hedychium coronarium J. Koenig: Acaricidal, Nematicidal, and Antifungal Potential. | This study explores the biocontrol potential of two labdane-type diterpenes, coronarin A and villosin, isolated from the rhizomes of Hedychium coronarium J. Koenig. The compounds were structurally characterized using FTIR, UV-Vis, HPLC, and mass spectrometry. Their bioactivities were evaluated against the red spider mi... |
41918277 | Hydrophobic Metal-Organic Framework-Based Ion-Conductive Interfaces Toward Stabilizing Zn Metal for High-Performance Aqueous Zinc-Ion Batteries. | Aqueous zinc-ion batteries (AZIBs) have received numerous attention due to their high safety, low cost, and environmental friendliness. However, Zn metal suffers from uncontrollable dendritic Zn growth, H<sub>2</sub> generation and Zn corrosion, etc., which seriously reduce the lifetime of aqueous zinc-metal batteries.... |
41918252 | Ligand Electronics Dictate Geometry, Stability, and Cancer Cell Toxicity in Carbon-Stabilized Gold(III) Macrocycles. | Strategies for rationally designing gold-based chemotherapeutics remain limited by an incomplete understanding of how ligand electronics shape structure and biological function. Here, we establish a direct link between σ-donor strength, geometric distortion, and anticancer activity across a series of carbon-stabilized ... |
41917821 | An integrated fine-mapping, re-sequencing and transcriptome analysis provides further insights and candidate genes for silique number in oilseed rape (Brassica napus L.). | <h4>Background</h4>Silique number is an important component of yield in oilseed rape, which is largely determined by the number of flowers. Although many QTL for silique number have been identified in oilseed rape, none of these has been fine-mapped and further cloned, largely limiting their application in genetic impr... |
41917687 | Recent Advances in Metal-Free Supramolecular for Biomedical Applications. | Precision medicine requires highly accurate diagnostic and therapeutic strategies to enable personalized healthcare. Although small molecule dyes are widely used in biomedical imaging and surgical navigation, their application is restricted by complex synthesis, limited tunability of photophysical properties, poor phot... |
41917001 | Interplay of SLC33A1-dependent and -independent Golgi sialic acid O-acetylation in CASD1 catalysis. | Sialic acid O-acetylation is implicated in the modulation of sialoglycan recognition and ganglioside biology. The sugar modification is catalyzed by CASD1, a Golgi membrane protein that encompasses a luminal catalytic domain and a multipass transmembrane domain. The mechanism of how acetyl-CoA is provided to the Golgi ... |
41914702 | Metal-Enhanced Fluorescence for the Biologist's Cellular Imaging Toolkit: Design Principles and Recent Applications. | Fluorescence microscopy is essential in modern cell biology but remains constrained by photobleaching, autofluorescence, and the intrinsic quantum yields of emitters. Metal-enhanced fluorescence (MEF) is a photophysical phenomenon in which interactions between luminescent species and metal nanostructures markedly incre... |
41913690 | Slippery Photoswitchable Fluorescent Coatings for Reconfigurable Information Encryption and Underwater Anti-Counterfeiting. | A flourishing marine economy has promoted the prosperity of underwater anti-counterfeiting, but it still lacks a universal approach to incorporate anti-counterfeiting technologies and slippery coating. Herein, we described the slippery photoswitchable fluorescent coatings (SPFCs) for reconfigurable information encrypti... |
41910366 | The Flavivirus NS3 Protein: Its Multifaceted Roles and Therapeutic Potential. | Mosquito-borne flaviviruses are important human pathogenic viruses and can cause an array of symptoms ranging from asymptomatic to mild illness but can progress to severe disease conditions. Prominent members of the family Flaviviridae include Dengue virus, Zika virus, and West Nile virus, whose spread has increased gl... |
41906432 | Factors Influencing Undesirable Sensory Properties in Protein Hydrolysates and Remediation Strategies for Food Applications. | Enzymatic hydrolysis is used to produce protein hydrolysates from animal- and plant-based sources, which are widely utilized in industry due to their nutritional, functional, and bioactive properties. However, these hydrolysates can exhibit unattractive sensory properties, such as off-flavors or off-odors, which limit ... |
41906428 | Oriented Immobilization Coupled With Ligand Fishing Strategy for Rapid Discovery of Direct HMGB1 Inhibitors in Taxus wallichiana var. mairei. | High Mobility Group Box 1 (HMGB1), a non-histone chromatin protein, is a key inflammatory cytokine. Direct HMGB1 inhibitors have gained attention for their therapeutic potential in age-related diseases by blocking the pro-inflammatory activity of extracellular HMGB1, but remain limited. Here, an immobilized HMGB1 was s... |
41904941 | Efficient and Durable Photochemical CO<sub>2</sub> Reduction by TiO<sub>2</sub>-Immobilized Metal Porphyrin Catalysts. | The advancement of molecular catalysts featuring 3d metals provides a sustainable alternative to noble-metal-based systems for CO<sub>2</sub>-to-C1 fuel conversion; however, their widespread application remains limited by modest activity and selectivity. Herein, we report a dye-sensitized ternary hybrid photocatalyst c... |
41904645 | Several plant self-incompatibility systems may be controlled by atypical receptor-ligand interactions. | Self-incompatibility (SI) is the single most important mechanism utilized by flowering plants to avoid self-fertilization, thus preventing inbreeding and promoting outcrossing. Many plant SI systems are genetically controlled by a multi-allelic S-locus, containing two tightly linked genes that encode the female and mal... |
41902842 | Enhancing mutation impact prediction in protein-protein interactions through interpretable graph-based multi-level feature interactions. | <h4>Motivation</h4>Protein-protein interactions (PPIs) are central to cellular functions, and predicting mutation-induced changes in binding affinity (ΔΔG) remains challenging. Although existing computational methods integrate sequence- and structure-derived features and thus implicitly capture certain sequence-structu... |
41902527 | Synergistic Noncovalent Mulberry Polysaccharide-Ovalbumin Complexes for Enhanced Functional Properties and Pickering Emulsion Stability. | This study systematically investigated the non-covalent interaction mechanisms, structural characteristics, and functional properties of ovalbumin (OVA)-mulberry polysaccharide (MP) complexes under different pH and mixing ratios and further constructed pickering emulsions based on the optimized complex. The phase behav... |
41891511 | An HBV-Derived Peptide Poly6 as a Novel Candidate for Functional Cure Via IFN-I-Mediated Epigenetic Regulation of cccDNA. | Covalently closed circular DNA (cccDNA) represents the central obstacle to achieving a functional cure for chronic hepatitis B virus (HBV) infection. Poly6, a peptide encoded within the HBV genome, was investigated for antiviral efficacy in hepatocyte-derived cell lines, hydrodynamic injection models, and HBV transgeni... |
41880601 | Correcting long-range electrostatic interactions in multiple hydrogen-bonded systems by experimental electron density. | Supramolecular polymers have attracted considerable attention owing to their potential applications in biomedicine, molecular machines, sensing, and self-healing materials. Precise evaluation of hydrogen-bond energies is crucial for the rational design of these materials. Here, the experimental electron densities (EEDs... |
41875085 | Crystalline mate strategy for berberine hydrochloride: solvent-polarity-tuned co-crystallization. | Single-crystal X-ray diffraction is one of the most reliable techniques for elucidating the molecular structures, while it requires high-quality single crystals. The crystalline mate (CM) strategy has recently emerged as an effective method to induce rapid and selective co-crystallization. Here, we demonstrate that thi... |
41862191 | Signal Amplification in the HPT Axis-Evidence for Its Existence, Location, Significance, and Molecular Mechanisms. | Thyroid hormones (THs) are under negative feedback regulation via the hypothalamic-pituitary-thyroid (HPT) axis. How this axis operates to keep the circulating THs within a narrow physiological range is not well understood quantitatively. Led by the design principle of robust homeostatic feedback control, here we revie... |
41854132 | Tetraopes Milkweed Beetle Genomes Elucidate the Adaptive Basis of a Temperate Coevolutionary Radiation. | The coevolutionary radiation of 27 species of Tetraopes longhorned beetles and their Asclepias milkweed hosts represents a classic example of adaptive evolution driven by plant chemical defences and herbivore counteradaptations. Investigations to date, however, have focused on a single species, Tetraopes tetrophthalmus... |
41851984 | AI-enabled protein design facilitates future plant research and crop breeding. | Artificial intelligence (AI) is poised to reshape the research paradigm of the life sciences by rapidly advancing the adoption of protein language models and their derivative tools. These technologies are increasingly being applied to protein structure prediction, function analysis, and protein design throughout the li... |
41848216 | Correction: Au/Mn nanodot platform for <i>in vivo</i> CT/MRI/FI multimodal bioimaging and photothermal therapy against tongue cancer. | Correction for 'Au/Mn nanodot platform for <i>in vivo</i> CT/MRI/FI multimodal bioimaging and photothermal therapy against tongue cancer' by Zhe Yang <i>et al.</i>, <i>J. Mater. Chem. B</i>, 2023, <b>11</b>, 4752-4762, https://doi.org/10.1039/D3TB00468F. |
41841234 | Thermodynamics and electronic structure evolution from single-H<sub>2</sub> adsorption to stepwise hydrogen loading of Fe metalloporphyrin. | Designing molecular motifs that can bind hydrogen strongly enough for uptake yet weakly enough for deliverable release remains a central challenge for adsorptive storage. Here, we use dispersion-corrected density functional theory to map the complete hydrogen-loading pathway of an iron porphyrin (Fe-MP, Fe metalloporph... |
41832946 | Hexahydroquinoline Featuring Amide Functionality: A Promising Scaffold With Calcium Channel Blocking Activity. | Hexahydroquinoline (HHQ) is a widely recognized scaffold that has garnered considerable attention owing to its diverse pharmacological properties. The structure of HHQ includes a 1,4-dihydropyridine (DHP) ring, which serves as the pharmacophore for the predominant class of drugs known as calcium channel blockers. DHPs ... |
41823193 | Free energy landscapes of host-guest binding from adaptive bias enhanced sampling. | We present a computational framework for calculating the free energy landscapes of host-guest binding using a combination of the on-the-fly probability enhanced sampling (OPES) method and its exploratory variant, OPES-explore. The main advantage of this combined algorithm, referred to as OPES<sub>COM</sub>, is its abil... |
41820812 | In silico peptide self-assembly reveals the importance of N-terminal motifs and the inhibition mechanism of the mutation L38M in α-synuclein fibrillation. | Alpha-synuclein (αSyn) is a presynaptic protein associated with several neurodegenerative diseases. While the non-amyloid component (NAC) region of the αSyn sequence (residues 65-90) forms the core of all αSyn fibrils, recent findings suggest that the flanking regions play a key role in initiating or preventing amyloid... |
41810982 | Observation of redistribution for local conformational dynamics in cross-reactive antibody design. | Antibody engineering is often achieved through laborious mutagenesis and screening. However, the physicochemical basis of cross-reactivity-enhancing mutations remains unclear. We computationally redesigned the severe acute respiratory syndrome coronavirus (SARS-CoV)-1 neutralizing antibody m396 to recognize the SARS-Co... |
41808442 | Pravastatin Corrects Endothelial Dysfunction in Ex Vivo Uterine Radial Arteries in Preeclampsia. | <h4>Aim</h4>Endothelium-dependent relaxation in isolated uterine radial arteries from normotensive (NT) and preeclamptic (PE) pregnancies, and the acute effects of pravastatin in the latter vessels were assessed. Pravastatin is hypothesized to alleviate endothelial dysfunction in PE via modulating aspects of NO and end... |
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