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41823365 | Combining multiple interface set path ensembles with MBAR reweighting. | We introduce a method to compute the reweighted path ensemble by combining transition interface sampling simulations conditioned on different collective variables in a globally consistent reweighting framework. The approach is based on the multistate Bennett acceptance ratio methodology applied to entire trajectories. ... |
41819481 | Advances in Self-Assembly Artificial Chaperone for Protein Folding Regulation. | Proteins play a pivotal role in life functions, with their accurate structures being the cornerstone for carrying out physiological activities. They must fold into well-defined three-dimensional conformations to attain functional activity. However, protein folding is inherently an error-prone process, and environmental... |
41819480 | Ni-Fe Dual-Site Polymer Catalyst for High Performance and Stable Electrochemical Urea Synthesis from CO<sub>2</sub> and NO<sub>3</sub><sup/>. | The electrochemical synthesis of urea from nitrate (NO<sub>3</sub> <sup>-</sup>) and carbon dioxide (CO<sub>2</sub>) presents a sustainable alternative to conventional methods, mitigating pollution and reducing energy consumption. Herein, a rationally designed Ni-Fe bimetallic pyromellitic acid polymer catalyst (Ni-PMD... |
41819143 | TiO<sub>2</sub>-Engineered MOFs Activate Electron-Rich Ni Sites for Efficient and Durable Hydrogen Production. | Controlling the electronic structure of non-noble metal active sites is the central challenge to unlocking fast and durable hydrogen release from hydrous hydrazine (N<sub>2</sub>H<sub>4</sub>·H<sub>2</sub>O, 8.0 wt%), a promising liquid hydrogen-storage material. Herein, for the first time, we demonstrate that TiO<sub>... |
41817353 | Viral Immunity in Immunoglobulin Products: Global Immunity Debt and Autoimmunity in the Postpandemic Era. | Immunoglobulin (Ig) replacement therapy is commonly used to prevent infections in individuals with low IgG levels. These therapies are derived from pooled plasma donations from thousands of healthy individuals worldwide. This study examined 85 unique Ig batches produced between May 2017 and June 2023 to assess changes ... |
41817231 | Stoichiometric-like ion-dipole coordination saturation in an isolated polymer-ion system: Single-molecule force spectroscopy and theoretical insights. | Ion-dipole interactions are well defined in small-molecule systems, but in macromolecular systems, their behaviors remain insufficiently understood due to structural complexity and binding heterogeneity. Herein, the ion-dipole interactions between a single poly[trifluoropropyl(methyl)siloxane] (PMTFPS) chain and 1-ally... |
41817040 | Propolis-Based Hybrid Nanoflowers as Multifunctional Nanozymes: Structural Integration of Polyphenols for Enhanced Catalytic and Antioxidant Activity. | Propolis is a polyphenol-rich natural resin with well-documented antioxidant activity; however, its practical application is restricted by poor aqueous solubility and limited stability. Herein, propolis-based organic-inorganic hybrid nanoflowers (Prp-Nfs) were synthesized by integrating a propolis extract into a Cu<sub... |
41816969 | Region and Cell-Selective Induction of Zbtb16/Plzf by Multiple Stressors in the Adult Murine Hypothalamus. | Stress activates the hypothalamic-pituitary-adrenal (HPA) axis, a neuroendocrine system that regulates responses related to feeding, reproduction, and aggression, among other homeostatic functions. Stressors significantly impact gene expression along the HPA axis and in hypothalamic nuclei that drive it, including the ... |
41816892 | Differential Expression of Defensins and Other Innate Immune Effectors by Indian Isolates of Chikungunya Virus. | Chikungunya virus (CHIKV) infection has been associated with heightened disease burden and fatality rate, especially post its resurgence in 2006, with presentation of various atypical symptoms. Its re-emergence and the subsequent periodic outbreaks indicate the constant evolution of the virus due to the incorporation o... |
41814907 | [Preparation of magnetic bifunctional materials for exosome capture from serum and phosphopeptide enrichment]. | As a clinical sample， serum is widely used in disease research due to the minimally invasive nature of its collection and easy accessibility. Exosomes in serum not only carry various bioactive substances such as proteins and nucleic acids but also participate in intercellular communication， which is closely associated ... |
41814490 | DFTB Parametrization at the Example of Platinum-Implementation, Validation and Practical Considerations. | Practical considerations for the parametrization of the transition metal platinum within the third-order density-functional tight-binding (DFTB3) method are presented, enabling straightforward parametrizations of interactions between Pt and elements from the s-, p-, and d-blocks of the periodic table. The newly develop... |
41813576 | Smart Tuning of Luminescent Lanthanide Coordination Polymer Gels for Stimuli-Responsive Emission Modulation, Encryption, and Detection of Oxo Anions. | Luminescent coordination polymer gels (CPG) have received significant advancements in the field of supramolecular chemistry due to their stimuli-responsiveness and tunable processability, which allows them to be practical in the field of sensing, anticounterfeiting, and multimodal security systems. Herein, a triad of t... |
41812643 | Human anti-glycan reactivity emerges from B cells utilizing private gene rearrangements that are affinity maturated in germinal centers. | The human antibody repertoire includes reactivity toward a broad array of carbohydrate antigens associated with commensal microflora and pathogenic organisms. Here, we examined the ontogeny and diversity of the human anti-glycan repertoire. Antibodies reactive with group A Streptococcus cell wall carbohydrate (GAC) wer... |
41812263 | Plant structural biology: Emerging technologies and future biological insights. | Plant structural biology is entering a new era. Advances in cryo-electron microscopy, tomography, and AI-based prediction are making it possible to study plant macromolecular machines at near-atomic resolution, including complexes that long resisted analysis by traditional approaches. Yet, despite these developments, p... |
41810443 | Lianhe Xiaozhi ointment ameliorates metabolic dysfunction-associated steatotic liver disease <i>via</i> peroxisome proliferator-activated receptor alpha pathway activation. | <h4>Background</h4>Lianhe Xiaozhi ointment (LXO), an innovative formulation derived from the classic Huanglian Wendan decoction, has been granted a national invention patent. With increasing years of clinical expertise within the Jiangsu Province Hospital of Chinese Medicine in China, LXO has become increasingly recogn... |
41806284 | Leveraging Two-Stage δ Global Sensibility Analysis Method to Inform Parameter Estimation in PBPK Models. | Appropriately performing Global Sensitivity Analysis (GSA) and refining models through the estimation of key parameters on individual data are fundamental steps in PBPK modeling, yet they remain insufficiently addressed in current practice. The main aim of this work is to establish a computational framework linking Phy... |
41804743 | Extensions to Extended Tight-Binding Methods for Transition-Metal Containing Systems. | Semi-empirical quantum-chemical methods such as extended tight-binding (xTB) models are widely used for large-scale simulations. Despite their popularity, their accuracy for transition-metal containing systems is lower than, for example, closed-shell organic molecules. In this work, we extend the Q-Chem-xTB framework w... |
41804685 | A β-Cyclodextrin-Eugenol Complex as a Modifier of Methacrylate Bone Cement. | The work is devoted to research on the influence of β-cyclodextrin/eugenol complex (CP-EU) on the properties of methacrylic bone cement. Eugenol (4-allyl-2-methoxyphenol) is an essential oil that exhibits antimicrobial properties against pathogenic bacteria, and these properties are desirable in bone cements. This may ... |
41804297 | Synthesis and Characterization of Di- and Tetrapropargyl Derivatives of (+)-Catechin: Evaluation of Their Potential Antimalarial Activity Through In Vitro and In Silico Approaches. | In this study, novel di- and tetrapropargyl derivatives of (+)-catechin were synthesized and characterized using IR, <sup>1</sup>H and <sup>13</sup>C{<sup>1</sup>H} NMR, as well as LC-MS. Furthermore, the ground-state geometries of compounds 1 and 3 were optimized using DFT calculations at the B3LYP/6-31G(d) level. The... |
41804092 | Drug Delivery Systems for Resiquimod to Control Myeloid-Derived Suppressor Cells in Cancer Immunotherapy. | Over the past decade, immunotherapy has emerged as the fourth pillar of cancer therapy, following surgery, chemotherapy, and radiotherapy. However, tumors often evade immune responses by altering the tumor microenvironment (TME), which recruits immunosuppressive cells such as myeloid-derived suppressor cells (MDSCs), t... |
41804042 | Fabrication and Characterization of Kafirin Microparticles Made Using Ionic Gelation Vibrational Jet Flow Technology: Influence of Processing Parameters on Physicochemical Properties. | Kafirin is a protein from sorghum grain or its high-protein byproducts, including dried distillers' grain with solubles (DDGS) from bioethanol production. This highly hydrophobic and slowly digestible protein has demonstrated self-assembly properties, indicating its high potential for the manufacture of microparticles.... |
41803029 | Novel PMVs/ZIP4/Zinc/Prelamin A Axis Promotes Nuclear Dysmorphism and Vascular Aging in Humans and Rodents Post-Injury: Effective Treatment With Platelet Membrane-Coated ZIF-8 Nanoparticles. | Interventional therapy and surgery play important roles in the treatment of various diseases, but they cause varying degrees of vascular injury. Currently, the side effects are often overlooked. Here, we observed abnormal nuclear morphology (nuclear dysmorphism) and vascular aging in injured human and rodent arteries. ... |
41800755 | A Theoretical Investigation on the Hydrogen Bond Based on the GLED Method of Bonding Analysis. | We propose here a description and classification of the hydrogen bond (HB) that is based on the Graphic representation of the Local electron Energy Density H(r) (GLED). A peculiar aspect of the GLED method, proposed by us in a recent study [Journal of Chemical Physics 163 (2025): 034107], is that the major character of... |
41797662 | Targeting Expanded CUG and CTG Repeats as a Therapeutic Approach for Myotonic Dystrophy Type 1 (DM1). | Myotonic dystrophy type 1 (DM1) is caused by expanded CTG repeats, d(CTG)<sup>exp</sup>, transcribed into toxic r(CUG)<sup>exp</sup> RNA repeats that sequester splicing regulator MBNL1, leading to its loss-of-function. An emerging therapeutic strategy toward DM1 treatment relies on the inhibition of MBNL1 sequestration... |
41797360 | Heterocyclic-Fused Squaramides: Anionophores With Antimicrobial Activity. | Antimicrobial resistance is regarded as one of the foremost public health risks of the 21st century, highlighting the need for new antimicrobial agents and chemical tools to interrogate their biological activity. Artificial transmembrane anion transporters have emerged as promising supramolecular scaffolds in this cont... |
41796984 | Pseudolaric Acid B Combats Drug-Resistant Candida albicans Infection via Dual-Action Mechanisms of Direct Antifungals and Vaginal Microbiota Restoration. | Candidal vaginitis is a prevalent inflammatory condition of the reproductive tract that has a substantial impact on women's health. Conventional antibiotic therapy frequently results in recurrence due to the non-selective elimination of vaginal microbiota and subsequent dysbiosis. In order to overcome this limitation, ... |
41795797 | The Role of Non-covalent Interactions in the Molecular Recognition and Attachment of the Chikungunya Virus to the MXRA8 Receptor. | The Chikungunya virus (CHIKV), transmitted by Aedes mosquitoes, initiates infection through direct engagement with MXRA8, a host receptor for arthritogenic alphaviruses. In this work, classical molecular dynamics simulations combined with qauantum descriptors of bonding interactions, including non-covalent interaction ... |
41795702 | In-Situ Grown Mixed-Linker Based Redox-Active Cd (II)-Metal Organic Framework on Nickel Foam: A Self-Supported Trifunctional Electrocatalyst for Energy-Efficient Urea-Assisted Overall Water Splitting. | The production of hydrogen fuel via water electrolysis has emerged as one of the energy conversion technique to alleviate the global energy scarcity. The search for non-noble metal based active electrocatalyst to accelerate water electrolysis process has become one of the challenging task. Here, a suitable and facile o... |
41795590 | Differential Effects of Saturated and Unsaturated Fatty Acids on Colorectal Cancer via IDO1 Signaling. | <h4>Background</h4>Colorectal cancer (CRC) incidence has risen significantly in China, potentially linked to dietary Westernization and increased consumption of high-fat diets (HFD).<h4>Methods</h4>This study examines the differential effects of various fatty acids-saturated (palmitic acid, PA), monounsaturated (oleic ... |
41793723 | Zn(II) Metal-Organic Framework as an Efficient Platform for Oxytocin Monitoring and Photodegradation. | The rising presence of pharmaceutical contaminants such as peptide hormones and antibiotics in aquatic environments poses significant risks to both public health and ecological balance. Among them, oxytocin-a potent neuropeptide hormone-demands particular attention due to its clinical importance and endocrine-disruptin... |
41793164 | Preparation and Characterization of UiO-66 Onto Modified Alumina Hollow Membrane With Sol-Gel Pechini of Zirconia Oxide Nanoparticles. | Well-continuous zirconia (Zr)-based metal-organic framework (UiO-66) grown onto alumina hollow fiber (AHF) remains challenging. By introducing Zr oxide (ZrO<sub>2</sub>) nanoparticles as coat-seeded particles, the hydrogen bond between UiO-66 and ZrO<sub>2</sub> nanoparticles can be enhanced. This study aims to modify ... |
41792870 | On the Bona Fide Sampling of Reaction Candidates in Red Moon Method by Replica-Exchange Molecular Dynamics Method: REMD-RM Method and Its Efficacy in Polymerization and Cross-Linking Reactions of Polypropylene. | It remains challenging to microscopically simulate chemical reaction systems in which multiple chemical reactions proceed concurrently, thereby determining the overall time evolution of the system and the structure of the resulting products. For this purpose, the Red Moon (RM) method is a promising method that describe... |
41790713 | Amorphous calcium carbonate supplementation and bone outcomes in rheumatoid arthritis: A prospective cohort study. | Rheumatoid arthritis (RA) is associated with increased risks of osteoporosis and fracture. Amorphous calcium carbonate (ACC) may enhance osteogenic differentiation and increase bone mineral density (BMD). The effects of ACC supplementation on BMD and bone turnover markers (BTMs) in RA have not been explored. This study... |
41790700 | Effect of the antidepressant drug paroxetine in downregulating the biofilm-adhering genes in Staphylococcus aureus: In vitro and in silico studies. | Osteomyelitis is a bacterial infection of the bone that affects millions globally. Due to problems in drug delivery, bacterial resistance through biofilm formation, adverse effects of the medications in use, etc, the scientists are searching for novel antimicrobial agents. As drug repurposing is an excellent method to ... |
41790674 | Comparison of the effect of neostigmine and sugammadex on postoperative delirium in surgical patients: A systematic review and meta-analysis. | <h4>Background</h4>Postoperative delirium (POD) frequently occurs in elderly surgical patients and is associated with adverse outcomes. This review aimed to evaluate whether sugammadex, a selective neuromuscular blockade reversal agent, reduces postoperative delirium-incidence (POD-I) compared with neostigmine.<h4>Meth... |
41789987 | Unlocking Pranoprofen's Hidden Glow: β-Cyclodextrin-Driven Fluorescence Amplification of Pranoprofen for Pharmaceutical and Biological Analysis. | This study introduces a novel approach for enhancing the inherent native fluorescence of pranoprofen, a nonsteroidal anti-inflammatory drug (NSAID), commonly used to treat allergic conjunctivitis. The fluorescence was significantly amplified when pranoprofen was encapsulated within the hydrophobic cavity of β-cyclodext... |
41789565 | Zero-shot benchmarking of RNA language models in structural, functional, and evolutionary learning. | RNA language models (LMs) are increasingly applied to RNA structure and function analysis, yet their intrinsic representational capacities remain poorly characterized. Here, we present a standardized zero-shot evaluation of 21 RNA LMs, with representative DNA LMs included as reference controls. Three complementary task... |
41787920 | Sex and Diet Biased Effect of L-DOPA on Iron Accumulation in the Ventral Midbrain. | Parkinson's disease (PD) is a progressive neurodegenerative disorder characterized by the loss of dopaminergic neurons in the substantia nigra, a region within the ventral midbrain known to accumulate iron. While L-3,4-dihydroxyphenylalanine (L-DOPA) remains the gold standard treatment for PD, its impact on brain iron ... |
41787743 | Unphysical Structure Collapse in Quantum Mechanics Calculations With Continuum Solvation. | The work reports on issues of the polarizable continuum solvent models conductor-like polarizable continuum model (CPCM) and solvation model density (SMD) to adequately describe the relative conformer energies of drug-like molecules that fit the quite common general structural pattern of two aromatic segments connected... |
41782414 | Quantum Chemical Properties of Fluorouracil/XZn<sub>11</sub>O<sub>12</sub> (X = Zn, Cu, Fe, Ni) Nanocomplexes and Interactions with Human Serum Albumin. | This research focused on structural, electronic, and interaction properties of fluorouracil (5-FU) adsorbed on transition metal (TM)-doped ZnO nanoclusters (XZn<sub>11</sub>O<sub>12</sub>, where X = Zn, Cu, Fe, Ni) using density functional theory (DFT) at the B3LYP/LANL2DZ level of calculations in the gas phase. Among ... |
41778859 | The spleen-brain axis in Alzheimer's disease and related dementias: Integrating immune and metabolic regulation. | Emerging evidence highlights the central role of peripheral immune-metabolic regulation in the pathogenesis of Alzheimer's disease and related dementias (ADRD). Among peripheral organs, the spleen has gained increasing attention as a critical immune-metabolic hub linking systemic homeostasis to central neurodegeneratio... |
41777055 | Evidence of Relaxed Selection in the Mitochondrial Genomes of Phototrophic Paulinella Lineages. | Primary endosymbiosis, resulting in the establishment of a photosynthetic organelle in eukaryotes, has occurred twice: more than 1.5 billion years ago in the common ancestor of Archaeplastida and 90 to 140 million years ago in the Paulinella lineage. The relatively recent, independent event in phototrophic Paulinella p... |
41775663 | Tuning Supramolecular Hydrogels with Surfactant-Based Organic Nanoparticles for Drug Delivery. | Supramolecular hydrogels derived from the self-assembly of low molecular weight gelators, especially those derived from amino acids and peptides, are gaining increasing attention in drug delivery because of their stimuli responsive behavior. This study explores the influence of surfactant-based nanoparticles-CTAB (cati... |
41774457 | Advancing Accurate Quantification of Protein-Ligand Interactions: Differential Scanning Calorimetry as a Precision Screening Tool Using BCL-2 as a Model System. | Accurate and reliable quantification of protein-ligand energetics at the screening stage is often complicated by ligand aggregation, hydrophobicity-driven artifacts, and the need for cosolvents. Here, differential scanning calorimetry (DSC) as a quantitative, label-free screening method is evaluated using BCL-2 as a mo... |
41773773 | CL-EVLPs Promote Corneal Repair in a BAC-Induced Corneal Injury Model via Ocular Microenvironment Reconstruction. | <h4>Purpose</h4>To investigate the therapeutic potential of Curcuma longa-derived extracellular vesicle-like particles (CL-EVLPs) in a benzalkonium chloride (BAC)-induced corneal injury model.<h4>Methods</h4>CL-EVLPs were isolated via ultracentrifugation and characterized. A murine dry eye model was induced by topical ... |
41773533 | Probing Attractive OH-π Interactions and Repulsive n-π Interactions in a Phenol Molecular Balance. | Molecular balances have emerged as invaluable chemical systems for examinations of noncovalent interactions. Here, we report physical-organic chemistry studies on a 2,6-diarylphenol molecular balance that enables the examination of competing attractive OH-π interactions and repulsive O-π interactions between two differ... |
41771611 | Architectural Control in Chiral Azobenzene Systems: Effects of Macrocycle and Cage Formation on Photoswitching Efficiency, Thermal Stability, and Chiroptical Properties. | Chiral photoswitchable architectures represent a frontier in molecular science, offering platforms where light can precisely control both molecular conformation and stereochemical environment. While promising, integrating photoswitches into robust 3D scaffolds to achieve superior thermal stability and functional respon... |
41771256 | Low-dose testosterone administration and oestrogen synthase availability in the female brain: A pilot study. | Testosterone and oestrogens play significant roles in female physiology, extending beyond reproductive functions to influence brain health, mood regulation, and behaviour. Testosterone low-dose therapy is increasingly considered for alleviating sexual dysfunction symptoms in postmenopausal women, and has been recently ... |
41769943 | Thermosensitive Chitosan-Hyaluronic Acid Hydrogel for Sustained Betamethasone and Levofloxacin Delivery in Corneal Wound Healing. | <h4>Purpose</h4>This research designed a thermosensitive chitosan-hyaluronic acid (Ch-HA) hydrogel for the dual controlled release of betamethasone and levofloxacin to improve corneal wound healing and inhibit subsequent infections.<h4>Methods</h4>Ch (2% w/v) and HA (10% w/v) solutions were neutralized with varying con... |
41769805 | Cobalt-Based Catalysts for Electrochemical Water Splitting: Harnessing the Power of Ionic Liquids and Deep Eutectic Solvents. | The emerging role of ionic liquids (ILs) and deep eutectic solvents (DESs) in the synthesis of cobalt-based catalysts for water splitting is reviewed. ILs and DESs can serve as solvents and templates due to their unique physicochemical properties. They can efficiently dissolve raw materials and provide a special nuclea... |
41766250 | Selective Conversion NOx Into Isoxazoles via Co-Zn Electrocatalyst Steering the Reaction Pathway. | The electrocatalytic upcycling of NOx species into valuable N-heterocycles presents an attractive route, but it is challenged by complex paths and low catalytic activity. This work reports a highly selective strategy for the electrochemical reduction of NOx to isoxazoles via coupling with 1,3-dicarbonyls, enabled by a ... |
41766217 | Noncovalent Cluster Packing Enables Ultrastable Glasses for Preservation and Delivery of Labile Biomolecules. | The properties of molecular glasses are governed by a thermodynamic-kinetic coupling described by the Adam-Gibbs theory. This relationship enforces a persistent trade-off: glasses with low glass transition temperatures, essential for gentle processing, are inherently unstable and prone to rapid crystallization. Here, w... |
41766183 | Creation of New Supramolecular Matter: A Web Special Collection. | Creation of New Supramolecular Matter is a special collection of research articles and reviews on the creation of new supramolecular matter. Guest editors Feihe Huang, Jonathan L. Sessler, and Frank Würthner give an overview of this collection. |
41766163 | Metal-Free Submicron-Hollow-Fiber Conjugated Polymer Sponges for Efficient Pollutant Removal and Thermal Insulation. | Inspired by naturally occurring tubular structures, hollow fibers offer unique advantages for a wide range of contemporary applications, such as a high surface-area-to-volume ratio, a low density, and directional mass transport. Although polymeric materials, including conjugated polymer networks, have shown promise for... |
41766138 | SERS Substrate Fabrication via Rapid Triboelectrification-Driven Self-Assembly of Close-Packed Colloidal Monolayers. | Surface-enhanced Raman spectroscopy (SERS) amplifies Raman signals on nanostructured metallic surfaces, enabling the detection of trace analytes. There has been a spur on the precise fabrication of conventional planar SERS substrates with high performance and reproducibility. Common methods, such as ion beam and colloi... |
41766107 | Palladium-Conductive Metal Organic Framework Interaction Enhances the Electrochemical Hydrogen Evolution in Acidic Electrolyte. | Strong metal-metal-organic framework (MOF) interactions can markedly enhance electrocatalytic hydrogen evolution, yet the intrinsically poor conductivity of most MOFs constrains their performance. Here, we employ a conductive 2,3,6,7,10,11-hexaaminotriphenylene (HITP)-based MOF to anchor sub-5 nm Pd nanoparticles (<1.1... |
41765909 | Elucidating the mechanism of cefpodoxime-BSA interaction via a combination of multi-spectroscopic methods and molecular docking simulations. | This research provides a comprehensive elucidation of the molecular interaction between cefpodoxime (CFP) and bovine serum albumin (BSA) through an integrated approach combining computational docking and a suite of spectroscopic methods. Initial evidence from UV-Vis absorption spectroscopy confirmed a ground-state comp... |
41765884 | Cationic hydrogel with sustained lubrication and anti-calcification for osteoarthritis therapy. | <h4>Background</h4>Osteoarthritis is characterized by cartilage degradation and abnormal subchondral bone remodeling, primarily due to disrupted lubrication-calcification coupling. Current treatments mainly relieve symptoms but lack effective strategies against calcification, and lubrication supplements offer only temp... |
41764714 | Advanced Drug Delivery Strategies for Overcoming Biological Barriers: Tumor Microenvironment and Blood-Brain Barrier. | Therapeutic efficacy for malignancies and neurological disorders is fundamentally restricted by biological barriers, particularly the complex tumor microenvironment (TME) and selective blood-brain barrier (BBB). This review analyzes advanced drug delivery technologies engineered to overcome these obstacles. For TME pen... |
41764632 | Donor (D)-Acceptor (A) Type Supramolecular Organogelators with Crown Ether-Annulated Tetrathiafulvalene-Pyridazine Conjugates. | T-shaped π-conjugated molecules based on the crown ether-annulated tetrathiafulvalene (TTF)-pyridazine skeleton were prepared, and their gel-forming capacities in various organic solvents were evaluated. The two gelators carrying C14 and C16 alkyl chain units (<b>1b</b> and <b>1c</b>) displayed efficient gelation in ar... |
41764147 | Latest Advancements in Using Fe<sub>3</sub>O<sub>4</sub>@graphene Oxide Nanocatalyst for the Hydrogenation of Nitroarenes. | Reducing nitroarenes to aromatic amines is a valuable method in both industrial and synthetic organic chemistry for producing amine compounds. Recently, magnetite-based nanocatalysts have attracted attention as promising, eco-friendly alternatives to conventional noble-metal catalysts in this transformation. Magnetite ... |
41764042 | Supramolecular Chemistry Regulation of Perovskite Solar Cells: From Material Design to Device Stability. | Although the power conversion efficiency has been greatly improved, the commercialization of perovskite solar cells is hindered by inherent instability and the environmental risk of lead leakage. This review describes how supramolecular chemistry gives us a versatile molecular toolbox for tackling these problems. Engin... |
41762441 | Identification of ZFTA as a Novel KLHL20 Substrate and Mechanistic Insights Into Fuzzy Binding of Disordered Peptides via Biosensor Analysis and Computational Modelling. | Interactions between peptides based on a region in the zinc finger translocation associated (ZFTA) protein and the Kelch domain of Kelch-like protein 20 (KLHL20<sup>Kelch</sup>) have been characterised by biosensor analysis, supported by AlphaFold2-based structure predictions of peptides bound to the protein. Residues ... |
41761922 | MdHB7 enhances apple basal thermotolerance by activating ROS scavenging and lignin accumulation. | Heat stress is a major environmental factor that limits plant growth, yield, and quality, and can even cause plant death. Although the homeodomain-leucine zipper transcription factor family plays broad roles in regulating plant stress responses, their underlying mechanisms in apple heat stress remain unclear. Here, we ... |
41761868 | In Situ Diffuse Reflectance Infrared Fourier-Transform Spectroscopy Investigation of 1-Methylcyclopropene Adsorption in Cobalt-Formate Metal-Organic Framework. | Metal-organic frameworks (MOFs) find numerous applications due to their tunable adsorption/desorption properties. This work is focused on the spectroscopic investigation of the adsorption and release of ethylene (C<sub>2</sub>H<sub>4</sub>) and 1-methylcyclopropene (1-MCP)-natural plant growth hormone and its synthetic... |
41761405 | EPR Active Supramolecular Gel With Network Fabrication: Selective H<sub>2</sub>O<sub>2</sub> Induced EPR Enhancement From a Soft Gel. | Supramolecular gels have been developed with flexible network to stabilize species such as flavin mononucleotide hydride with extraordinary short lifetime. In this work, we targeted to stabilize our synthesized radical CP• (chromenopyridine) in the supramolecular gel network. The rigidity aspects of EPR active multicom... |
41761399 | Adh1-Programmed SNF1 Phosphogradients Decrypt Morphogenesis in Candida albicans: Chemical Interrogation Unveils Hyphal Transition Thresholds. | While Candida albicans alcohol dehydrogenase I (Adh1) conventionally functions as an alcohol dehydrogenase, this study builds upon previous work to redefine its novel role in regulating hyphal morphogenesis and elucidates the underlying mechanisms. Adh1 knockout strains exhibited hyperfilamentation, suggesting that Adh... |
41755783 | Exploring <i>LEPR</i>-Linked Metabolic Diversity through Gut Microbiome-Metabolome Network Analysis in Non-Obese Adults. | Genetic variation in the leptin receptor (<i>LEPR</i>) gene has been implicated in metabolic regulation, while the gut microbiome and circulating metabolites are increasingly recognized as mediators of host metabolic phenotype. However, the systems-level interactions among <i>LEPR</i> genotypes, gut microbial compositi... |
41755773 | Phage Display Technology: Design, Library Construction, and Panning Strategies for Antibody Development. | Phage display technology serves as a powerful <i>in vitro</i> platform for discovering antigen-specific antibodies, enabling the rapid identification and engineering of monoclonal antibodies for therapeutic applications. This review discusses key factors such as phagemid vector, antibody fragment formats, in-frame sele... |
41744063 | Hypofucosylation promotes pertussis toxin binding to cell surface glycococonjugates and pertussis toxin-induced intracellular ERK signaling. | Pertussis (whooping cough) is caused by the bacterium Bordetella pertussis. Among the virulence factors produced by B. pertussis, pertussis toxin (PT) is responsible for key disease symptoms, including impacts on the immune system. PT is an AB5 toxin, consisting of a single catalytic A subunit and five B subunits. The ... |
41744187 | Stable 1,3,2-Benzodithiazolyl Radicals: Modification of Reactivity, Crystal Packing, and Solid State Magnetic Properties by Fluorination. | Impact of fluorination on crystal and molecular structure, heteroatom reactivity, and solid-state magnetic properties of thermally-stable π-radicals is studied experimentally and computationally with 1,3,2-benzodithiazolyl 1<sup>·</sup> and its 4,7-difluoro, 4,5,6,7-tetrafluoro, and 4,7-difluoro-5,6-(hexafluoropropane-... |
41739564 | Antimicrobial and Cytotoxic Activities of Biogenic Nanoparticles Produced by Cyanobacteria. | Biogenic nanoparticles are distinguished by their unique physical and chemical attributes, notably their potent antimicrobial activity against bacterial and fungal pathogens, as well as their cytotoxic effects on cancer cells. These nanoparticles are characterized by their biocompatibility, indicating their potential a... |
41739546 | Genomic perplexity and the evolution of context-dependent function. | The fundamental principle that selection acts on a gene's function often assumes implicitly that this function is fixed and intrinsic. However, empirical evidence from pangenomics, synthetic biology, and GWAS consistently demonstrates that organismal function is highly context-dependent, varying across genomic backgrou... |
41738778 | Evolution of Highly Repetitive Silk Genes in the Luna Moth, Actias luna. | Gene duplications are a major driver of molecular diversification and phenotypic evolution. Arthropod silk genes provide an excellent model for studying these processes due to their extensive internal repeats and rapid evolutionary rates. In Lepidoptera, the Fibroin heavy chain (fibH) gene encodes the primary structura... |
41738353 | Interleukin-17A and Thyroid Autoantibodies in Follicular Fluid and Their Relation to Ovarian Response. | <h4>Problem</h4>Interleukin-17A (IL-17) and thyroid autoimmunity have been linked to adverse reproductive outcomes, but their role in the ovarian follicular environment in assisted reproductive technology remains unclear.<h4>Objective</h4>To evaluate IL-17 and thyroglobulin autoantibody levels in follicular fluid (FF) ... |
41731700 | Genome-wide T3E analysis reveals key pathogenicity factors in Xanthomonas campestris pv. campestris strains with high virulence in Brassica. | Black rot (BR), caused by Xanthomonas campestris pv. campestris (Xcc), severely hampers Brassica production worldwide. Type III effectors (T3Es), which include transcription activator-like effectors (TALEs) and Xanthomonas outer proteins (Xops), are virulence factors for Xcc in host crops, such as rice, pepper, and cas... |
41724922 | Molecular Insights Into Human Serum Albumin Interaction and Binding With Gemini and Pluronic F-127 Binary Surfactants-A Multitechnique Approach. | This study examined the systematic binding of human serum albumin (HSA) to the non-ionic surfactant Pluronic F-127, gemini surfactant 2-butanol-1, 4-bis (dimethyldodecylammonium bromide) (12-4(OH)-12) and their binary mixtures at 300 K. While fluorescence, FTIR and circular dichroism (CD) spectroscopy offered molecular... |
41724914 | Simplified Time-Dependent DFT for all-Atom Simulations of Second Harmonic Generation Responses: A Case Study on Photoswitchable Azobenzene Monolayers. | Predicting the nonlinear optical (NLO) properties of large, disordered supramolecular aggregates is challenging because fully capturing dynamic fluctuations and intermolecular interactions requires a quantum-mechanical treatment of aggregation effects that remains out of reach for conventional computational methods. In... |
41721623 | Nanobody-Engineered CLL-1 CAR T Cells: Optimizing Tumor-Specific Cytotoxicity and Minimizing Off-Tumor Toxicity. | Acute myeloid leukemia (AML) is an aggressive hematologic malignancy characterized by the rapid expansion of undifferentiated myeloid progenitors, leading to impaired hematopoiesis and poor patient prognosis. Although chimeric antigen receptor (CAR) T-cell therapy using single-chain variable fragments has revolutionize... |
41721484 | Senescence in Normal Human Dermal Fibroblasts Induces Heterogeneous Fibril Orientation of Type I Collagen Through Downregulation of BMP-1. | Considering that the body accumulates senescent fibroblasts during the progression of aging, the character of collagen fibrils secreted from the senescent cells associates with the skin condition. In this study, we examined the alteration of collagen fibrogenesis using groups of normal human dermal fibroblasts with dif... |
41715950 | The MdOST1-MdCNGC1C-MdCaM7.1 module fine-tunes cold-induced calcium signaling in apple. | Cold stress limits the entire growth cycle of plants, affecting crop yield, quality, and geographic distribution. The calcium ion (Ca2+) signal, generated by rapid and dynamic changes in cytoplasmic free Ca2+ concentration ([Ca2+]cyt), plays a key role in plant cold responses, but the mechanisms governing the initiatio... |
41685644 | Double Salts and Racemate in Mefloquine-Ibuprofen and Mefloquine-Ketoprofen Systems. A Structural and Thermochemical Analysis. | The formation of salts remains a highly sought-after yet unpredictable strategy for resolving chiral drugs. Using a drug-drug approach, we have investigated the crystallization behavior of Mefloquine (Mf), a racemic antimalarial drug, in combination with enantiopure (S)-ibuprofen and (S)-ketoprofen, as well as their ra... |
41685621 | Stepwise LCST-Type Phase Separation in Mixtures of Short-Chain Elastin-Like Peptides With Minimal Structural Differences. | Elastin-like peptides (ELPs) comprise repetitive pentapeptide sequences and exhibit liquid-liquid phase separation through lower critical solution temperature-type behavior. Their stimuli-responsive behavior has enabled diverse applications in biomedical and chemical contexts. Although the miscibility and interactions ... |
41656498 | Advances in Rapid Nucleic Acid Diagnostics for Hepatitis B and C Viruses: A Comprehensive Review. | Chronic viral hepatitis, predominantly caused by HBV and HCV infections, remains a major global health burden and a leading cause of cirrhosis, hepatocellular carcinoma (HCC), and liver-related mortality. Achieving the World Health Organisation (WHO) target of diagnosing 90% of HBV and HCV infections by 2030 necessitat... |
41634954 | Covalent Peptide-Based N-Myc/Aurora-A Inhibitors Bearing Sulfonyl Fluoride Warheads. | Orthosteric inhibition of the N-Myc/Aurora-A protein-protein interaction (PPI) represents a potential mechanism by which degradation of N-Myc can be induced, given its interaction with Aurora-A competes with the factors that tag it for proteasomal degradation. As such, this would constitute an approach for the developm... |
41634948 | Bismuth Bicycles. | Bicyclic peptides are emerging as next generation therapeutics by combining the affinity and specificity of antibodies with the synthetic convenience of small molecules. Phage-encoded libraries of bicyclic peptides enable the discovery of high-affinity molecules against virtually any protein target. The generation of b... |
41631664 | Prolonged Release of IL-10 From Enzyme-Mediated Poly-l-(Tyrosine-co-Phenylalanine) Nanocrystals Enhances Stability and Modulates Inflammatory Responses. | Protease-catalyzed synthesis of a peptide composed of l-tyrosine and l-phenylalanine (2.2:1 M ratio) was achieved in a natural deep eutectic solvent (NADES) medium and subsequently employed to encapsulate the anti-inflammatory cytokine interleukin-10 (IL-10). IL-10 was loaded into enzyme-mediated peptide nanocrystals a... |
41619217 | The Prebiotic and Techno-Functional Potential of Microbial Exopolysaccharides for Human Health and Food Systems. | Microbial exopolysaccharides (EPS) represent a diverse class of biopolymers holding considerable promise as functional food ingredients. This review analyzes the dual function of microbial EPS as a candidate for prebiotic agents and techno-functional additives. Differentiating between broad chemical categories and vali... |
41612897 | Making Blank Faces Expressive: Chemical Approaches to the Modification of Chemically Inert Peptides. | Very minor structural modifications in peptides can result in significant changes in their function. To obtain analogues with such small structural but big functional differences compared to the original peptides, amino acid monomers are usually combined one-by-one from scratch, which is a simple and reliable but painf... |
41577811 | In situ electrochemical analysis of freely dissolved methyl parathion enabled by negligible depletion micro-extraction. | Negligible depletion micro-extraction (nd-ME) is widely used for determining the freely dissolved concentration of pollutants. However, it typically requires a long equilibrium time. In this study, an in situ electrochemical approach based on nd-ME was developed to assess the sorption coefficient of methyl parathion (M... |
41565570 | Turn-Induction in Peptides Incorporating Novel Cyrene-Derived α,α-Disubstituted Amino Acid. | Cyrene-derived α,α-disubstituted amino acids (H-Cyr-OH) are introduced into peptides using the multiple component Ugi reaction. Conformational analysis of the Cyr monomer and dimer was performed by X-ray crystallography and NMR spectroscopy. In the solid state, the backbone torsion angle values of (4R)- and (4S)-Cyr we... |
41554528 | A Novel Cell-Penetrating Lipopeptide for DNA Binding, Self-Assembly, and Delivery Into HeLa and Pluripotent Stem Cells. | A lipopeptide is designed that contains an epitope from simian virus T-antigen (SV40T, PKKKRKV) conjugated to an N-terminal palmitoyl (C<sub>16</sub>-) moiety, with the aim to act as an effective cell-penetrating lipopeptide, with additional aggregation propensity conferred by the lipid chain. A combination of cryo-TEM... |
41532847 | Mutational Signatures and Clonal Hematopoiesis in Intestinal Metaplasia across Countries with Varying Stomach Cancer Incidence. | Intestinal metaplasia (IM) is a premalignant condition associated with increased risk of gastric cancer-a deadly malignancy with varying geographic incidence. High-depth targeted sequencing of more than 1,500 IM samples from six countries identified 47 significantly mutated genes, including driver genes associated with... |
41467478 | CRISPR-induced knockouts reveal a dual role for the soybean NFR5α gene in symbiotic nitrogen fixation and root hair development. | Nitrogen fixation in soybeans, facilitated by symbiotic interactions with rhizobia, is a cornerstone of sustainable agriculture, reducing reliance on synthetic fertilizers. However, the efficiency of symbiotic nitrogen fixation (SNF) varies due to natural genetic variation in SNF-related genes. Our study underscores th... |
41416484 | Efficacies of Sequenced Monotherapies of Mycobacterium avium Lung Infection in Mouse. | <h4>Background</h4>The incidence of nontuberculous mycobacterial (NTM) infections has been rising and now exceeds tuberculosis in several countries. Mycobacterium avium is the most common NTM cause of chronic lung disease. Current guidelines recommend simultaneous administration of three or more antibiotics, modeled af... |
41370196 | Clinical characteristics, management, and hematopoietic cell transplantation of patients with TLR8 gain-of-function. | <h4>Abstract</h4>Toll-like receptor 8 (TLR8) gain-of-function (GOF) somatic variants were recently identified as causing severe neutropenia, lymphoproliferation, and immune dysregulation. We report the expanded clinical and laboratory phenotype and management of 10 patients, including the original cohort of 6 male pati... |
41353571 | Artificial intelligence-enabled nanomedicine: enhancing drug design and predictive modeling in pharmaceutics. | The integration of artificial intelligence (AI) and nanomedicine has initiated a revolutionary phase in pharmaceutical research, facilitating progress in targeted drug delivery, controlled release, and personalized therapeutics. This review explores how AI-driven methods are integrated with nanocarrier systems such as ... |
41329712 | Integration of Short- and Long-Read RNA Sequencing Enables the Discovery of Circular RNAs. | Circular RNAs (circRNA) are associated with crucial hallmarks of tumorigenesis. Select circRNAs contain circular open reading frames (cORF) and affect tumorigenesis through encoded small peptides. However, current circRNA detection approaches bias toward using short-read RNA sequencing (RNA-seq) for detecting circRNA b... |
41309056 | Isolation of neutralizing antibodies against SARS-CoV-2 through an epitope-guided negative screening by phage display. | Neutralizing antibodies are essential tools in antiviral therapy and epidemic preparedness, capable of directly inhibiting viral entry and limiting disease progression. However, traditional antibody discovery strategies-such as animal immunization or B cell isolation from infected individuals-are often hindered by bios... |
41283858 | Overexpression of placenta-specific noncanonical imprinted genes causes placental enlargement in intersubspecific hybrid mice†. | Placental enlargement in somatic cell nuclear transfer-derived mice is attributed to biallelic expression of noncanonical (H3K27me3-dependent) imprinted genes owing to loss of imprinting (LOI). Here, we investigated whether a similar mechanism underlies placental enlargement in intersubspecific hybrids between BDF1 (Mu... |
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