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41766569 | Studying Collagen Architecture in Solution by Raman Optical Activity Spectroscopy. | Raman and Raman optical activity (ROA) spectroscopy provide a unique insight into the three-dimensional structure of biomacromolecules; however, it is often hampered by low sensitivity, low resolution, and the lack of theoretical models. To advance the methodology, we demonstrate that it can discriminate between two co... |
41766474 | N-Rich Tris(triazole)-Based 2D Conjugated Metal-Organic Framework for High Performance Aqueous Dual-Ion Batteries. | Two-dimensional conjugated metal-organic frameworks (2D c-MOFs) have emerged as promising host materials of iodine species for aqueous dual-ion batteries (ADIBs) due to their well-defined pore structures, abundant electrophilic active sites, and chemical functionality. Herein, we report two new tris(N-phenyl)triazole-b... |
41766473 | Open Air Organophotocatalyzed Ring-Closing Cascade Trifluoromethylation of Dienes inside a Supramolecular Gel. | Mesoporous graphitic carbon nitride (<i>g</i>-C<sub>3</sub>N<sub>4</sub>) is an efficient heterogeneous photocatalyst. We report a redox-neutral trifluoromethylation of dienes using <i>g</i>-C<sub>3</sub>N<sub>4</sub> as a visible-light organophotocatalyst in a supramolecular gel platform under aerobic conditions. The ... |
41766467 | Engineering Multivalent Copper Catalysts From Cu-MOF Towards High-Performance C<sub>2</sub> Electrosynthesis. | Electrocatalytic CO<sub>2</sub> reduction reaction (ECO<sub>2</sub>RR) stands as a crucial process for converting CO<sub>2</sub> into valuable chemicals, particularly C<sub>2+</sub> products. Yet, achieving high selectivity towards C<sub>2+</sub> chemicals remains challenging. Among the catalysts explored to date, Cu-b... |
41766462 | Mechanically Planar Chiral Molecules by a SuFEx-Auxiliary Approach. | Mechanical chirality, an emerging paradigm in stereochemistry, arises uniquely from the formation of a mechanical bond between achiral and oriented molecular subcomponents, endowing the resulting mechanically interlocked molecules (MIMs) with broad application potential. Despite its potential, it has remained underexpl... |
41766460 | Triple Matrix Confinement-Induced Ultrabright Afterglow From Carbon Dots With Multivariate Responsive Afterglow Colors for Advanced Dynamic Information Encryption. | Dynamic afterglow carbon dots (CDs) materials, capable of long-duration emission and dynamic color changes after excitation, hold promise for widespread applications in high-level encryption and visual sensing. However, the single-variable response afterglow color changing limits the potential of CDs for multidimension... |
41766459 | A Macrophage-Driven Multimodal Nanoplatform Conquers Ovarian Cancer Peritoneal Metastasis. | Ovarian cancer peritoneal metastasis remains a lethal clinical challenge, with hyperthermic intraperitoneal chemotherapy (HIPEC) offering limited survival benefits due to off-target toxicity, position-dependent delivery, and the lack of durable immune activation. Herein, we report a macrophage-driven precision nanoplat... |
41766437 | 2D Metal-Organic Frameworks for High-Performance Solid-State Electrolytes: A Comprehensive Review. | Solid-state electrolytes (SSEs) represent a pivotal pathway for resolving critical battery safety concerns, offering excellent lithium-ion conductivity, superior chemical compatibility, wide electrochemical stability windows, robust thermal stability, and potential for low-cost mass production. However, conventional 3D... |
41766404 | Stimuli-Responsive Spin-State Switching in Supramolecular Helicates Bridging Solid-Solution Bistability. | The design of molecular systems that exhibit bistability in both solid and solution phases remains a formidable challenge in coordination chemistry and materials science. Spin-crossover systems have been widely studied in crystalline form, yet examples that preserve spin-state switching in solution are exceedingly rare... |
41702709 | A systematic guide for identifying transcription factors that directly regulate the expression of a gene of interest. | Transcriptional regulation lies at the heart of cellular identity and function, hinging on the precise binding of transcription factors (TFs) and cofactors to gene regulatory elements such as promoters and enhancers. Although it is relatively routine to profile genome-wide DNA binding landscapes of proteins, identifyin... |
41665398 | Carbon dot-MOF composites for cancer biomarker detection: an emerging research frontier. | Cancer is a deadly disease that has become a major global concern. Early detection of cancer biomarkers is crucial to significantly reduce the impact and enable the prompt diagnosis and effective treatment of cancer. The integration of carbon dots (CDs) with metal-organic frameworks (MOFs) has emerged as a promising ap... |
41662154 | Mechanistic studies on HNRNPA2B1 suggest binding but not selective recognition of m<sup>6</sup>A. | HNRNPA2B1 contains two RRM domains and has been investigated for its possible role as an m<sup>6</sup>A reader protein. The targetome of HNRNPA2B1 was shown to overlap with the m<sup>6</sup>A methylation motif, but further investigations of its binding affinity for m<sup>6</sup>A-containing RNAs have been less clear on... |
41645762 | A reusable fluorescent biosensor based on a morphology-controlled ZIF-8⊃FAM-DNA film. | As a promising porous material, zeolitic imidazolate framework-8 (ZIF-8) exhibits significant application potential in biosensing. However, its reusability in the solution form is limited. In this work, a reusable ZIF-8⊃FAM-DNA film biosensor is fabricated by assembling FAM-labeled single-stranded (ss) DNA with a ZIF-8... |
41642094 | A synergistic bimetallic MOF/MWCNT nanocomposite for sensitive electrochemical detection of baicalin. | Baicalin (Bn), a bioactive compound derived from natural plants, has significant pharmaceutical value and is used in the treatment of diseases such as influenza. However, excessive baicalin administration may lead to increased drug toxicity, immune system disturbances, reduced therapeutic efficacy, and allergic reactio... |
41631522 | Catechyl lignin enhances self-assembly for Pickering emulsion stabilization and controlled-release application. | The structure of lignin significantly affects its self-assembly ability into lignin nanoparticles (LNPs) and their properties for specific applications. Herein, several lignin oligomers with distinctive chemical structures were extracted from typical biomasses and self-assembled into LNPs, which were further used to st... |
41603570 | Regioisomer-specific, self-healing, and moldable supramolecular hydrogel fabrication: chiroptical tuning, biocompatibility, cell attachment, and bacteria-infected wound healing topical applications. | Herein, we demonstrated the formation of a biocompatible hydrogel using a novel dipeptide, H-Glu-Ala-OH (or EA), for the first time. The isomeric chloro-cinnamoyl moieties (shortened as 2ClCA and 4ClCA) were attached to the N-terminal of EA to fabricate the gelators 2ClCA-EA and 4ClCA-EA. Only 2ClCA-EA formed a stable ... |
41489815 | Functional super-resolution microscopy of fibers and polymers: convergence of artificial and biological systems at the nanoscale. | Fluorescence nanoscopy has opened a new frontier for visualizing and understanding polymeric and fibrous materials with molecular precision. Building on advances in single molecule localization microscopy (SMLM), researchers are now extending beyond structure to probe dynamic and functional properties that govern mater... |
41381364 | Transcriptional derepression of negative regulators of MAP kinase supports maintenance of diapause ES cells in the pluripotent state. | Nutrient deficiency during pregnancy in many animal species can induce embryonic diapause, a state characterized by systemic changes in biosynthetic processes that minimize reliance on external energy sources while ensuring survival. Remarkably, these changes do not affect the pluripotent state of embryonic stem (ES) c... |
41129114 | Eugenol Potentially Targets Oleate Delta-12 Desaturase of <i>Botrytis cinerea</i> and Controls Gray Mold as Part of a Combination of Multiple Fungicidal Components. | Eugenol exhibits a broad spectrum of antimicrobial activities and fungicide efficacy against crop diseases. However, the antifungal mechanisms of eugenol remain incompletely understood. In this study, we assessed the inhibitory activity of eugenol against several phytopathogenic fungi and found it to be particularly ef... |
42011606 | [Protective effect of antioxidants in spray drying of cinnamon essential oil inclusion complexes]. | Spray drying is widely employed in the preparation of essential oil inclusion complexes. However, due to the high-temperature environment during drying, this technology often results in oxidative loss of essential oils within these inclusion complexes. To address this issue, this study utilized the inclusion complexes ... |
41998948 | Reorientational dynamics of ring-type polymers in dilute solutions. | Advances in controlled polymerization have enabled the synthesis of mechanically interlocked polymers like molecular knots and linear[n]catenane. These aesthetic macromolecules with unique topological constraints in the form of mechanical bonds are well known for their fascinating transport and rheological properties i... |
41994376 | An immunoinformatic strategy for developing peptide vaccines against autoimmune diseases by targeting cross-reactive bacterial antigens. | <h4>Objective</h4>To identify potential immunogenic peptide vaccine candidates targeting bacterial proteins implicated in autoimmune disorders via molecular mimicry, employing a population-specific immunoinformatic approach.<h4>Methodology</h4>This cross sectional in silico bioinformatics study was carried out in Depar... |
41992991 | A retrospective review of patients admitted to a tertiary intensive care unit following the February 6th earthquake in Türkiye. | <h4>Background</h4>The Kahramanmaraş earthquake that occurred in Türkiye in 2023 affected 14 million people, resulting in 53,537 deaths and more than 100,000 injuries. In large-scale disasters, it is crucial to rapidly initiate complex treatment processes in hospitals equipped with tertiary intensive care units followi... |
41987883 | Structural basis of the oligomerization of anti-silencer Ler from enterohemorrhagic <i>E. coli</i> (EHEC). | The locus of enterocyte effacement-encoded regulator (Ler) is a master transcriptional activator essential for the virulence of enterohemorrhagic and enteropathogenic <i>Escherichia coli</i>. Although Ler shares homology with the global silencer H-NS, it functions uniquely as an anti-silencer, a role strictly dependent... |
41985061 | A bio-inspired computational pipeline for antibody screening and repurposing. | Therapeutic antibody discovery is central to modern drug development, yet conventional methods such as hybridoma and phage display remain slow, inefficient, and costly. Computational approaches including site-saturation mutagenesis often yield limited affinity gains and expression liabilities, while deep learning and g... |
41971025 | A fluorometric chemosensor for the sequential determination of Fe(iii) and cefotaxime sodium in water samples, serum and commercial formulations: a computational and an experimental approach. | An indole-based chemosensor (P1) was synthesized and characterized using FT-IR and <sup>1</sup>H NMR and was investigated fluorometrically for the determination of various metal ions. It was found that Fe(iii) caused significant quenching compared to other metal ions, resulting in the formation of a non-fluorescent com... |
41954983 | Systematic discovery of bacterial anti-phage systems through a protein domain-centric strategy. | Bacterial exposure to constant phage attack drives rapid diversification of anti-phage defense systems, often through the exchange of modular defensive domains. Here, we leverage this modularity signature to identify new defense systems by systematically searching for operons encoding known defensive domains in non-can... |
41954989 | Alexidine, identified as a Z-DNA inducer by the NanoZ screening platform, acts as a transcriptional regulator. | Z-DNA is a left-handed DNA helix implicated in gene regulation, genome stability, and immune responses, yet effective small-molecule modulators in cells remain scarce. To address this gap, we developed NanoZ, a two-step screening platform designed to identify Z-DNA-inducing molecules. The first step, a DNA condensation... |
41943247 | Genetic Insights into Colistin Resistance in Carbapenem-Resistant <i>Klebsiella pneumoniae</i> from Southern Thailand. | <h4>Background</h4>Colistin is a last-resort antibiotic for treating carbapenem-resistant <i>Klebsiella pneumoniae</i> (CRKP). The emergence of colistin resistance threatens public health by further limiting therapeutic options. This study aimed to molecularly characterize colistin resistance in 17 CRKP isolates obtain... |
41938799 | Enhanced Ni<sup>2+</sup>/Ni<sup>3+</sup> redox activity in dopant-free nickel-based metal-organic framework for sensitive electrochemical detection of methanol in beverages. | This work presents a dopant-free nickel-based metal-organic framework (Ni-MOF) electrode revealing enhanced Ni<sup>2+</sup>/Ni<sup>3+</sup> redox action for the sensitive electrochemical detection of methanol at room temperature. The scientific interest in volatile organic compounds (VOCs) detection has been significan... |
41934388 | Coordinated Activity of Photosystem I and Photosystem II in Selaginella martensii (Lycopodiophyta) Across Light Gradients. | Selaginella martensii is a living member of lycophytes, an early divergent group of vascular plants. This shade-adapted species can acclimate to various light regimes, from deep shade to high light, with a gain in carboxylation capacity accompanied by modulations in thylakoid composition, including increased relative a... |
41929672 | Artificial Intelligence at the Intersection of Chemistry and Materials Science. | Research on metal-organic frameworks (MOFs) bridges the fields of chemistry and materials science. MOFs consist of metal ions linked together by long organic molecules. These materials are known for their high porosity and large surface area, with numerous applications ranging from storage of various gases to medical u... |
41921197 | Hybrid deep learning with protein language models and dual-path architecture for predicting IDP functions. | Intrinsically disordered regions (IDRs) drive essential cellular functions but resist conventional structural-function annotation due to their dynamic conformations. Current computational methods struggle with cross-dataset generalization and functional subtype discrimination. We present IDPFunNet, a hybrid deep learni... |
41918919 | Self-Healable and Superrobust Supramolecular Elastomer-Bound Sulfide Electrolyte Films for Dendrite-Free All-Solid-State Lithium Batteries. | The commercialization of all-solid-state lithium batteries (ASSLBs) is hindered by the lack of advanced binders for sulfide solid-state electrolyte (SSE) films, as current binders often fail to achieve cohesion and adhesion balance, resulting in agglomeration or insufficient mechanical strength. Herein, we introduce a ... |
41914275 | On a Fluorescent Dye for Indicator Displacement From Cucurbit[7]uril-Based Molecular Recognition: A Joint Experimental-Computational Study. | The host-guest complexation of a new fluorescent probe called 7-(diethylamino)-4-hydroxyquinoline-2(1H)-one (QD) and its inclusion complex with the Cucurbit[7]uril (CB7) macrocycle were studied. QD was successfully synthesized, and an extensive characterization was performed for both the free probe and its correspondin... |
41913092 | Functionalized Cyclic Beta-Amino Acid Derivatives With Antiviral Potential. | Selected highly functionalized cyclic beta (β)-amino acid derivatives have been synthesized according to modified and improved literature synthetic protocols and subjected to various antiviral studies. The model compounds were regio- and stereoisomers of azido-functionalized β-amino esters, orthogonally protected diami... |
41909947 | Insights into spacer acquisition of the type V-A CRISPR-Cas system of Francisella novicida U112. | CRISPR-Cas systems immunize prokaryotic cells through a CRISPR adaptation process, in which short DNA fragments from foreign elements are acquired and integrated into the CRISPR array. Here, we investigated the spacer acquisition mechanism of the type V-A CRISPR-Cas system from Francisella novicida U112. We characteriz... |
41909946 | Programmable, target-induced fluorogenic CRISPR-tDeg platform for live-cell RNA visualization. | RNA molecules display remarkable heterogeneity in structure, dynamics, and function, yet methods for their precise visualization in living cells remain limited. While CRISPR-based RNA imaging holds great potential, existing systems often suffer from high background fluorescence due to constitutive signal emission or no... |
41892148 | Engineering of Extracellular Vesicles for Targeted Delivery of Prodigiosin. | The therapeutic potential of prodigiosin as a hydrophobic anticancer agent can be enhanced by various approaches, one of which is the loading of PG into extracellular vesicles. Drug distribution and stability in aqueous media play a crucial role in targeting and accumulation, thereby enabling the attainment of therapeu... |
41892087 | Three-Dimensional Bioprinting and Rose-Inspired Medical Applications. | Three-dimensional (3D) bioprinting is an advanced additive manufacturing technology that utilizes bioinks composed of living cells and biomaterials to construct tissue-like structures for a wide range of medical applications. This paper reviews key applications, including tissue engineering, organ modeling and printing... |
41892034 | Liquid-Gated Field-Effect Transistor-Based Biosensor for Uric Acid Detection. | Monitoring uric acid (UA) concentration is crucial for human health, enabling early detection and prevention of metabolic disorders as well as assessing renal function and overall metabolic balance. Herein, we developed a field-effect transistor (FET)-based UA biosensor using hydrothermally synthesized vertical zinc ox... |
41891815 | IEPDYN: Integral-equation formalism of population dynamics. | We propose the integral-equation formalism of population dynamics (IEPDYN) to describe the population dynamics of distinct configurational states. According to classical reaction dynamics theory, the probability density associated with a given state obeys the Liouville equation, including influx from and efflux to neig... |
41891665 | Thiazole Functionalized Porous Metal-Organic Framework-Based Catalyst for Solvent-Free Synthesis of Biologically Important Quinoline Derivatives Through Friedlander Condensation. | The demand for quinoline derivatives is increasing rapidly owing to their extensive use in the synthesis of pharmaceutically active compounds. In this work, a thiazole-functionalized zirconium(IV) based metal-organic framework (MOF) was utilized to synthesize quinoline derivatives through catalytic Friedlander condensa... |
41885535 | Comprehensive analysis of gp120 glycosylation to explore differences between transmitter/founder and chronic HIV-1 isolates. | The extraordinary genetic diversity of HIV variants and their differences in glycosylation of surface protein gp120 have hindered developing a universal vaccine. Via lectin-mediated interactions, the gp120 glycans may trap viruses at the mucosal interface, enhance trans-infection of CD4+ T cells, or enhance HIV uptake ... |
41883054 | Europium Metal Complex [Eu(dbm)<sub>3</sub>.LAP] Promotes Antinociceptive Behavior via TRPA1 Neuromodulation and an Anti-Inflammatory Effect in Adult Zebrafish. | The identification of antinociceptive compounds often relies on animal models such as zebrafish, in which TRPA1 activation induces hyperlocomotion. This study presents the first evaluation of the anti-inflammatory and antinociceptive properties of the europium complex [Eu(dbm)<sub>3</sub>.LAP], derived from Lapachol, a... |
41883020 | Cortical alpha changes during visuospatial attention: a deep learning-enriched EEG analysis. | Covert visuospatial attention in anticipation of a stimulus is known to topographically modulate alpha-band (8 to 14 Hz) brain activity. However, the specific cortical regions involved remain unclear. Here, we conducted a whole-cortex analysis of alpha-band changes by examining source-level electroencephalographic (EEG... |
41879488 | Dynamic Allostery in T Cell Receptor Specificity: A Role for Peptides and MHC Polymorphisms in Allosterically Tuning Immune Recognition. | T cell receptor (TCR) recognition of peptide/MHC complexes is fundamental for adaptive immunity. Many studies have described the importance of peptide/MHC motion or dynamics in TCR recognition. A role for dynamics in recognition intersects with the concept of dynamic allostery, which describes how alterations to a prot... |
41879138 | Immunomodulatory Tissue-Engineering Strategies for Diabetic Foot Ulcer Management: A Systematic Review. | The aim of this systematic review is to systematically compile evidence from the past 5 years on bioengineering and regenerative medicine approaches targeting the DFU immune microenvironment and to evaluate these findings from a translational perspective to inform clinical applications. This systematic review, conducte... |
41877542 | β-Cyclodextrin Functionalized Covalent Organic Polymer Monolithic Column for Highly Selective Capillary Electrochromatographic Separation. | The synthesis of covalent organic polymers (COPs) with abundant active sites remains challenging. To address this, we developed β-cyclodextrin (β-CD) functionalized COPs through a modular synthesis strategy, which was comprehensively characterized and subsequently employed as a stationary phase for capillary electrochr... |
41877420 | Comparative Preparation and Characterization of β-Cyclodextrin Inclusion Complexes With Two Melaleuca Essential Oils for Postharvest Mango Preservation. | Mango (Mangifera indica L.) is a tropical fruit with high nutritional value; however, its postharvest quality often declines due to fungal infections that cause black spots and deterioration of the fruit's physical and chemical properties. Essential oils (EOs), which are natural plant extracts with antimicrobial proper... |
41877378 | Sequence and structure analysis for chemosensory proteins and odorant-binding proteins in Nilaparvata lugens (Hemiptera: Delphacidae). | Chemosensation is crucial for insect behavior and physiology, involving several molecules. Chemosensory proteins (CSPs) and odorant-binding proteins (OBPs) transport volatile and lipophilic semiochemicals to activate the chemosensory system. Nilaparvata lugens Stål, is a monophagous pest of rice plants, causing signifi... |
41875535 | Selective Visualization of Type II Collagen Using Sum-Frequency Generation (SFG). | Collagen Types I and II share highly conserved triple-helical backbones and similar CH stretch vibrational spectra, which limits the ability of conventional spectroscopic or second-harmonic generation methods to unambiguously distinguish between them in native and engineered matrices. By combining polarization-resolve... |
41875240 | Synthesis of ZIF-67 With Different Morphologies and Study of Their Oxygen Evolution Performance. | In order to investigate the relationship between microstructure and performance of electrocatalysts, we prepared ZIF-67 with four different morphologies and examined their efficiency in catalyzing oxygen evolution reaction (OER). The crystal morphology of ZIF-67 changes significantly with increasing surfactant under di... |
41875028 | Understanding <i>Candidozyma</i> (<i>Candida) auris:</i> genomic evolution, antifungal resistance and the growing challenges in global infection control. | <i>Candida auris</i> (recently renamed <i>Candidozyma auris</i>) is an emerging multidrug-resistant fungal pathogen, first identified in Japan in 2009. <i>C. auris</i> exhibits remarkable persistence on human skin and inanimate surfaces, resistance to multiple antifungals, notably fluconazole, and biofilm formation, wh... |
41874114 | Impact of Cannabis and Cannabis Legalization on US Atrial Septal Defect Rates. | Atrial septal defect (ASD) affects 1:11.3 children in some US states; however, the antecedents of these trends are yet to be identified. A total of 1882 ASD rates (ASDRs) for 2003-2020 were sourced from the National Birth Defects Prevention Network reports. A total of 406,893 ASDs are reported. Substance (cigarettes, b... |
41873756 | Deep learning-guided dual-fitness evolution of T7 RNA polymerase for enhanced stability and activity. | In protein engineering, simultaneously improving multiple fitness attributes is a critical yet challenging goal, largely due to the vastness of sequence space, the multifaceted interplay among different traits, and the complexity of non-linear mutational effects (epistasis). To address this, we developed a data-driven ... |
41873762 | A general strategy to enhance aptamer affinity by suppressing dissociation through symmetric assembly. | Aptamers are programmable molecular recognition elements with broad utility in diagnostics, therapeutics, and synthetic biology. However, many aptamers suffer from insufficient affinity due to rapid target dissociation, and no general strategy currently exists to overcome this limitation. Here, we report a symmetry-gui... |
41873006 | Counting Active Sites for Nanocatalysis. | The topic of active sites on catalysts is of current interest, that is, identifying and counting them, since this knowledge is relevant to improving chemical behavior. Previous work recognizes that catalytic activity is related to active sites via generalized coordination numbers (GCNs). The method we present uses magi... |
41872670 | Preparation of Novel Dendrimeric Hyperbranched Polymer-Gd<sub>2</sub>O<sub>3</sub> Composites Loaded With Sphingosine Inhibitor-I/II. | Functionalized dendrimeric nanoparticles (BH40-PEG-F127-FA) were synthesized to develop a targeted delivery platform for combined therapeutic and imaging applications. Structural confirmation through FT-IR, <sup>1</sup>H-NMR, <sup>13</sup>C-NMR, and MALDI-TOF mass spectrometry verified the successful formation of the m... |
41871143 | Ligand-binding properties of substrate binding proteins of a maltose uptake system in <i>Gardnerella swidsinskii</i>. | Glycogen and its breakdown products, maltose and malto-oligosaccharides, are important carbon sources for vaginal bacteria including <i>Gardnerella</i> species. MusEFGKI transport systems for maltose and malto-oligosaccharides have been identified in all <i>Gardnerella</i> species; however, unlike in other species, the... |
41870081 | Fast and Slow Signal Propagation in Abiotic Polypeptide Assemblies. | Proteinoid microspheres-abiotically synthesized by thermal polymerization of amino acids-exhibit spontaneous electrical potential fluctuations despite lacking genetic material, membranes, or ion channels. Here, we quantify the electrical and structural dynamics of five proteinoid compositions using multi-electrode diff... |
41870037 | On-Demand Chemically Degradable Hydrogels for Biological Applications. | Across various wound care applications, device interfaces, drug depots, and cell cultures, materials often require rapid and clean removal. On-demand chemically induced degradable hydrogels fulfill this requirement through small-molecule triggers that cleave covalent crosslinks or disrupt noncovalent interactions. Some... |
41869969 | The Evolving Landscape of Dermatophytosis in the UAE: Trichophyton indotineae and Related Genotypes. | <h4>Background</h4>Dermatophytosis remains one of the most prevalent superficial fungal infections worldwide, increasingly complicated by the emergence of terbinafine-resistant Trichophyton indotineae. Despite its global spread, molecular and clinical data from the United Arab Emirates (UAE) remain limited.<h4>Objectiv... |
41869820 | Bogland plant Tormentil inhibits multidrug-resistant pathogen growth and potentiates antibiotics by disrupting iron homeostasis. | The antibiotic resistance crisis has created an urgent need for the development of novel therapeutic strategies to tackle recalcitrant infections. In this study, we identified Tormentil [<i>Potentilla erecta</i> (L.) Raeusch.], a plant that has been used in traditional medicine for centuries, as being capable of effect... |
41867068 | Plant cell surface receptors. | Plants face constant environmental changes and must integrate external and internal cues to coordinate growth, development, reproduction, and stress responses. A major strategy is perception at the cell surface via a large, diverse network of receptors. Here, we outline how these receptors recognise extracellular signa... |
41865239 | Collecting Large Datasets of Unambiguous Structural Restraints for Protein Structure Determination by 4D Proton-Detected Solid-State NMR. | Solid-state magic-angle spinning NMR is a powerful technique for obtaining atomic-resolution structural information of different types of biological macromolecules. The relatively low sensitivity and limited resolution of this method have continuously stimulated methodological developments to broaden its application ra... |
41863434 | Hydroxypropyl-β-cyclodextrin-assisted Acetonitrile Field-amplified Stacking in Capillary Electrophoresis Enabling Ultra-Trace Quantification of Amlodipine Enantiomers in Human Plasma. | Amlodipine besylate, a third-generation dihydropyridine calcium channel modulator, is routinely prescribed as a racemic mixture in the clinical management of arterial hypertension and ischemic chest pain. Among its enantiomeric pair, (S)-amlodipine is the pharmacologically active form and is primarily responsible for t... |
41860447 | Dual Inhibition of COX-2/5-LOX Through Novel Hybrids of NSAIDs and Peptides: Insights from Molecular Dynamics Simulation and Per-Residue Decomposition. | The present study describes the synthesis of an analog of the anti-inflammatory drug fenbufen, a compound which has recently attracted of renewed interest in the treatment of chronic degenerative diseases such as cancer and rheumatoid arthritis. The molecule under consideration, 4-(4-methoxyphenyl)-4-oxobutanoic acid, ... |
41860410 | Best Practices in Structural Ensemble Analysis: Avoiding Pitfalls, Interpreting Results, and Automating Workflows with EnsembleFlex. | Structural ensemble analysis is critical for understanding protein flexibility, function, and interactions. EnsembleFlex provides a streamlined framework for dual-scale (backbone-only and all-atom) flexibility analysis by integrating both data-driven and predictive approaches. This article outlines best practices for a... |
41860076 | Aggregation of polyampholytes: Influence of salt concentration. | We study the salt-dependent self-assembly of polyampholytes (PAs) using coarse-grained molecular dynamics simulations with explicit mobile salt ions, supported by theoretical analysis within the random phase approximation (RPA). The sensitivity of aggregation to salt is found to be sequence dependent, in line with the ... |
41859918 | The politics of health: exploring the potential and the limits of health in all policies under multilevel governance. | The Health in All Policies (HiAP) approach has been the main focus for intersectoral action for health and heath equity but has proved challenging as result of other political and economic priorities of governments and the multilevel nature of policymaking. This article explores the role of HiAP in changing politics an... |
41857679 | Protein Language Model-Driven Optimisation of Antimicrobial Peptide Pth-Ca1 Against Pectobacterium brasiliense Using ESMFold-Predicted Structures and the ESM-3 Model. | The emergence of antimicrobial resistance (AMR) poses a significant threat to global health and food security. Antimicrobial peptides (AMPs), particularly those characterised by α-helical structures, represent a promising alternative due to their broad-spectrum activity and unique mechanisms of action. Pectobacterium b... |
41857668 | Sweet and umami TAS1R receptors: from molecular recognition to physiological function. | The detection of sweet and umami tastants is mediated by 2 heterodimeric G protein-coupled receptors, TAS1R2/TAS1R3 and TAS1R1/TAS1R3, respectively. Sweet taste provides input related to the carbohydrate-derived energy content of ingested food, whereas the physiological role of umami taste by detecting free L-amino aci... |
41854074 | Single-turnover kinetic analysis of non-long terminal repeat retrotransposition defines the pathway and rate constants leading to second-strand synthesis. | Site-specific non-long terminal repeat (non-LTR) retrotransposon-mediated gene therapy has the potential to revolutionize medicine by allowing insertion of large gene cargos at specific sites in a genome. Despite decades of effort, the reaction sequence of these elements remains to be fully elucidated, limiting the abi... |
41853971 | Sex differences in neuromodulatory subcortical systems and their implications for Alzheimer's disease. | Neuromodulatory subcortical systems (NSSs) are uniquely susceptible to dementia-related pathology, leading to frequent molecular and behavioral impairments associated with altered function of these nuclei. Some of these systems display clear sex-specific cytoarchitecture and signaling leading to distinct physiology and... |
41853877 | MoS<sub>2</sub>-Based Electrocatalysts Across Major Water-Related Energy Reactions: Advances, Challenges, and Future Prospects. | Water electrochemical reactions have garnered increasing attention due to their central role in sustainable energy conversion. Amid the intensifying global energy crisis, the development of renewable pathways for green hydrogen production has become imperative. Numerous materials have been investigated as electrocataly... |
41853696 | Charge-Shifting Copolymers of 2‑(<i>N</i>,<i>N</i>‑Dimethylamino)Ethyl Acrylate and 2‑Hydroxyethyl Acrylate via RAFT Polymerization: Balancing the Charge Content and Biological Response. | Synthetic polycations are key components for engineering polyelectrolyte complexes with wide-ranging biomedical potential. However, the high cytotoxicity of fully charged polycations remains a major limitation for clinical applications. To address this challenge, we report on polycations derived from the cationic monom... |
41852312 | Distribution and Feeding of Hexatilemonas jangsaensis, a Novel Cosmopolitan Member of the Uncultured Marine Apusomonad Clade. | The perplexing apusomonads, a sister lineage to Opisthokonta (including animals and fungi), are bacterivorous heterotrophic nanoflagellates whose diversity and ecological role remain poorly understood. Members of the large APU-30 clade are found exclusively in marine environments and mostly comprise uncultured lineages... |
41850748 | Tagitinin C-Rich Extract From Tithonia diversifolia (hemsl.) A. Gray Exerts Activity Against Pathogenic Bacteria and Biofilms. | The increasing prevalence of persistent and difficult-to-treat infections has intensified interest in natural compounds able to act on both planktonic bacteria and biofilm structures. Tithonia diversifolia, a species rich in bioactive metabolites such as tagitinin C, has emerged as a promising source of antimicrobial a... |
41850219 | Development of Simple Assessment tool for predict imminent risk of Fracture in Elderly women. | <h4>Background/aims</h4>Previously developed fracture risk prediction models primarily estimate long-term risk and are limited in their ability to predict imminent fractures. We developed a simplified and practical model to predict the short-term fracture risk (1- to 3-year risk) in elderly Korean women.<h4>Methods</h4... |
41848657 | Ionic liquids: the chemistry beyond the ion pair. | Ionic liquid (ILs) offer a versatile platform for designing supramolecular architectures through the manipulation of covalent, ionic and hydrogen bonds (HBs), along with van der Waals interactions. This is especially true for ILs containing planar and rigid cations. The structural organization of these materials arises... |
41848659 | Surfactant self-assembly and micelle elongation in reline: structural basis and driving forces. | Sodium dodecyl sulfate (SDS) forms elongated micelles in urea:choline chloride deep eutectic solvent (DES), unlike its spherical aggregates in water. To understand the driving forces, we employed a multiscale simulation approach combining coarse-grained (CG) (Martini 3) and backmapped atomistic (CHARMM36) models. Simul... |
41848593 | Noncovalent Synthesis of Amphiphilic Block Copolymers Through Host-Guest Interactions. | A supramolecular approach for constructing amphiphilic block copolymers has been developed based on host-guest interactions between calix[5]arene-functionalized polyethylene glycol (PEG) and [60]fullerene-functionalized polystyrene (PS). Supramolecular amphiphilic polymers were formed via spontaneous assembly in soluti... |
41848591 | A Polarity Sensitive Turn-On NIR Fluorescent Probe for Wash-Free Cell Imaging. | Wash-free fluorescent probes are highly desirable in bioimaging due to their ability to simplify analytical procedures, shorten detection time, and avoid potential interference or analyte loss caused by washing steps. In this work, we designed and synthesized a donor-π-acceptor (D-π-A) fluorescent molecule, TB-PY, whic... |
41848232 | Involucrasins Potentially Prevents SARS-CoV-2 Infection via Inhibiting Caspase-1 Signaling in Several Variants. | The study investigates the potential of involucrasins for COVID-19 prevention through molecular docking using AutoDock Vina and molecular dynamics (MD) simulations with Gromacs 2020. Docking results revealed that involucrasins exhibit strong binding affinity to the SARS-CoV-2 Delta (B.1.617.2) and Omicron (BA.2 RBD) va... |
41848112 | Homochiral to heterochiral transition in pentahelicene monolayer on the Pb(111) surface. | The chiral self-assembly of racemic pentahelicene molecules on the Pb(111) surface has been systematically investigated using low-temperature scanning tunneling microscopy combined with density functional theory calculations. At low-temperature (∼100 K), molecular diffusion is strongly suppressed, yielding only isolate... |
41841601 | AI-driven computational methods and benchmarking for T-cell antigen identification. | The rise of mRNA vaccines highlights the pivotal role of T-cell antigen identification in modern vaccinology and personalized medicine. T-cell recognition relies on the sophisticated ternary interaction between the T-cell receptor (TCR), the major histocompatibility complex (MHC) molecule, and the peptide antigen, whic... |
41839622 | Wheat breeding during and after the "green revolution" contributed to the reduced use of elite nitrogen metabolism alleles linked to nitrogen use efficiency. | The wheat "Green Revolution (GR)" that occurred from the 1960s to the 1970s significantly enhanced the harvest index and resistance to lodging, thereby increasing grain production, but at the cost of reduced nitrogen (N) use efficiency (NUE) in wheat. The NUE of wheat is mainly regulated by N metabolism genes (NMGs). H... |
41838896 | Self-Immolative Systems in Diagnostic and Therapeutic Applications. | Self-immolative systems first emerged in prodrug chemistry in the 1980s. Since then, several types of self-immolative systems have been developed. Despite their structural differences, all self-immolative systems operate on the same principle: an intramolecular reaction cascade triggered by a specific stimulus, ultimat... |
41838846 | What Makes a Designer Solvent Efficient for Capturing Volatile Organic Compounds?-A Molecular Perspective. | Designer solvents (DSs), particularly room-temperature ionic liquids (RTIL) and deep eutectic solvents (DES), have emerged as promising alternatives for capturing volatile organic compounds (VOC), addressing the limitations of conventional mitigation strategies. The tunability of DSs-achieved via functional group modif... |
41835532 | Oxidation and Chlorination Reaction Characteristics: A Density Functional Theory Perspective toward the Fundamental Understanding of Etching of Ruthenium and Tantalum Surfaces. | Given the profound industrial relevance of metal surface etching, we performed a detailed density functional theory investigation of the nature of intermolecular interactions between the O<sub>2</sub> (and Cl<sub>2</sub>) etchant(s) and the ruthenium (Ru) (and tantalum (Ta)) surface(s). We assessed the formation energi... |
41835515 | 5‑Amino-5-deoxyshikimic Acid as a Versatile γ‑Amino Acid for Peptidomimetic Synthesis. | An efficient and scalable four-step synthesis of the 5-amino-5-deoxyshikimic acid derivative is described. This cyclic, unsaturated γ-amino acid was employed in both solution- and solid-phase peptide syntheses to afford products of high purity and yield. Furthermore, functionalization of the secondary hydroxyl groups w... |
41834672 | PIEZO1 Channels Modulate the Small Extracellular Vesicle Release in C2C12 Cells. | PIEZO1 are mechanically-activated ion channels expressed in many cell types. Their pharmacological activation by the selective agonist Yoda1 has been reported to favor skeletal muscle regeneration by controlling the fate of myogenic precursors cells, but the underlying mechanisms remain largely unknown. Hereby, we inve... |
41834553 | Implications of Glomus Tumor Pathology and Pain Mechanism for Surgical Treatment. | Glomus tumor is a rare, benign vascular neoplasm arising from the glomus body, most frequently located in subungual and fingertip regions. Despite its small size, it often causes severe paroxysmal pain and cold sensitivity, posing diagnostic and therapeutic challenges. This review summarizes current understanding of it... |
41834534 | Structure-dependent reactive oxygen species generation by scintillator-free X-ray-activated porphyrins: insights into charge effects and internal conversion quantum yield. | Radiodynamic therapy enables treatment of deep-seated tumors but typically requires scintillator nanoparticles with associated toxicity concerns. While porphyrin photosensitizers (PS) have been shown to enhance reactive oxygen species (ROS) generation under X-ray irradiation without scintillators, the molecular feature... |
41833054 | Stereoselective Bio-Organocatalytic Cascade to Chiral Amides as Active Pharmaceutical Ingredient Intermediates Using ω-Transaminase and Choline Chloride Under Microwave Irradiation. | Amide bond formation is a key transformation in organic synthesis, especially for the preparation of active pharmaceutical ingredients (APIs). In this work, we report the development of a bio-organocatalytic cascade, combining stereoselective transamination catalyzed by ω-transaminases (ω-TAs) in neat organic solvent a... |
41831218 | Molecular insights into volatile organic compound sensing and signaling in plants. | Plants interact with their surrounding environment through the perception of a vast and structurally diverse array of volatile organic compounds (VOCs); however, the molecular mechanisms involved remain mostly unknown. Despite the large number of VOCs emitted and perceived by plants, only a small number of phylogenetic... |
41828964 | Effects of Cyclophosphamide Administration on Wool Quality, Physiological and Biochemical Parameters, Carcass Traits, and Meat Quality in Sheep. | Chemical depilation presents a promising alternative to traditional shearing for Chinese Merino sheep, aiming to overcome issues of low efficiency and animal stress. Nonetheless, the safety of meat derived from sheep treated with this technology requires comprehensive scientific evaluation. Therefore, this study aimed ... |
41824921 | Mechanism and Molecular Design Principles of Cationic Surfactants: From Charge-Driven Membrane Interactions to Next-Generation Quaternary Ammonium Compounds. | Cationic surfactants, in particular quaternary ammonium compounds (QACs), represent one of the most relevant and broadly applied classes of antiseptics. Their antimicrobial activity arises from electrostatic interactions with microbial membranes, resulting in rapid disruption of the membrane structure. In this review, ... |
41823588 | Methods for studying the effects of phosphorylation patterns in proteins. | Protein phosphorylation is one of the most common and versatile regulatory mechanisms in cells. Most human proteins are phosphorylated at multiple sites, giving rise to large numbers of possible phosphorylation patterns. Each phosphorylation pattern can lead to a different functional or pathological outcome. Yet, linki... |
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