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41684695 | Dynamic palladium coordination cages formed by self-assembly of extended tetra(nitrile)cavitands. | Two extended tetra(4-cyanophenylethynyl)cavitands with methylene (6S) and ethylene (6L) bridges were synthesized for coordination-driven self-assembly. Reaction with Pd(dppp)(OTf)<sub>2</sub> in a 2 : 4 ratio afforded discrete, symmetric coordination cages (8S and 8L), characterized by NMR, IR and DOSY. The assemblies ... |
41684653 | A TADF sensitizer moiety decorated MR emitter for enhancing spin-flip and anti-ACQ. | Multiple resonance thermally activated delayed fluorescence (MR-TADF) emitters, mainly constructed from rigid fused polycyclic aromatic hydrocarbon frameworks incorporating boron and nitrogen (B/N), have garnered significant attention attributed to their remarkable optoelectronic properties, such as high efficiency, na... |
41684652 | Surface curvature-directed <i>in situ</i> synthesis of ultrathin 2D MOFs on liquid metals for antibacterial applications. | Although promising as hybrid materials for catalysis, antibacterial treatments, and optoelectronics, conventional two-dimensional metal-organic frameworks (MOFs) sheets tend to pile into thick stacks to result in low surface areas. Here, we report a surface curvature-guided <i>in situ</i> synthesis strategy that employ... |
41684405 | Design, synthesis, structural characterization, anticancer evaluation, and computational studies of novel quinoline-1,2,3-triazole glycohybrids. | A novel series of eleven phenyl-substituted quinoline 1,2,3-triazole glycoconjugates 6(a-k) was synthesized <i>via</i> the copper(i)-catalyzed azide-alkyne cycloaddition (CuAAC) reaction between 2-phenyl-substituted quinoline-4-carboxylic acid propargyl ester (4a-4e) and various sugar azides (5a, 5b, and 5c). The obtai... |
41684401 | Synthesis of isoxazoles and their hydrazinolysis to 5-aminopyrazoles: an approach to fluorescent derivatives. | A protocol for the synthesis of 5-arylisoxazoles and their TFA-mediated hydrazinolysis to 5-amino-3-aryl-1<i>H</i>-pyrazoles was developed using readily available ketones as starting materials and eco-friendly microwave-assisted conditions. All reactions proceeded in high yields, and although some of the obtained heter... |
41674222 | Nanoconfined Water Manipulated Selective Proton Storage in Layered Tungsten Oxides for Versatile Supercapacitor Diodes. | Supercapacitor diode (CAPode) is an emerging type of electrochemical logic device that integrates ions and electrons as the coinformation carriers, thus being a promising building block for constructing new-type iontronic circuits and achieving seamless brain-computer interaction. However, the lack of understanding on ... |
41674018 | Series of Hydrated Lanthanide (La, Ce, Pr, Dy, Yb) Pyromellitate 3D Coordination Polymer with Tunnels Encapsulating Dimethylammonium Species and Its Crystal-to-Crystal Transformation upon Dehydration. | Synthesis and characterization of two distinct structural types of coordination polymers are reported with 1,2,4,5-benzenetetracarboxylate (btec) ligands associated with lanthanides (Ln) Ce(III), La(III), and Pr(III) for compounds <b>1-3</b>, and Dy(III) and Yb(III) for compounds <b>4-5</b>. The two structures are buil... |
41674017 | Smart DNA Hydrogel-Responsive Encoding Enables Portable Nucleic Acid Detection. | DNA hydrogels are promising materials for biosensing, but translating their molecular recognition capabilities into portable diagnostics is hindered by slow target diffusion, signal constraints, and bulk architecture. Here, we present a smart DNA hydrogel-responsive sensing platform termed Q-RAPID (Quick Response Analy... |
41673759 | Prolyl-isomerase Pin1 drives platinum resistance by regulating Notch3 stability and function in ovarian cancer. | <h4>Background</h4>Resistance to platinum-based drugs represents a major obstacle for the management of high-grade serous ovarian cancer (HGSOC) patients. Indeed, the selective pressure of platinum-based (PT) chemotherapy often leads to the outgrowth of platinum-resistant subclones. In this scenario, the underlying ada... |
41673742 | A hypomorphic SRD5A2 haplotype with a potential founder effect: composed of common variants in individuals with 5α-reductase type 2 deficiency from South China. | <h4>Background</h4>Disorders of sex development (DSDs) exhibit high genetic and phenotypic heterogeneity, and genotype-phenotype correlations are not fully understood. 5α-Reductase type 2 (5α-RD2) deficiency, a common form of DSD, is caused by SRD5A2 inactivation. This study investigated the role of SRD5A2 haplotypes i... |
41673722 | Targeting epigenetic methylation: emerging diagnosis and therapeutic strategies in cancer. | Epigenetics shapes all aspects of cancer occurrence and progression. Among them, chromatin methylation is a particularly important regulator of oncogenic processes. The dynamic shifts in methylation can influence the development or death of tumor cells. In the therapeutic context, effectively targeting and modulating D... |
41673718 | The distinct roles of ROS in tumor immunity: from mechanisms to immunotherapeutic applications. | Reactive oxygen species (ROS) are crucial signaling molecules that regulate diverse biological processes. In cancer, this duality gives rise to a central paradox. Moderate ROS levels support tumor proliferation and foster an immunosuppressive microenvironment, whereas excessive ROS can be therapeutically leveraged to t... |
41673701 | The role of TgEfhc3 in Toxoplasma gondii biology and its prospects as a subunit vaccine. | <h4>Background</h4>Toxoplasmosis, caused by Toxoplasma gondii, poses a significant global health threat, with no commercial vaccine available for humans. The parasite's egress process, which bridges its intracellular replication cycles and is critical for survival and dissemination, is tightly regulated by calcium. Not... |
41673530 | Mesoporous Framework-Shell Integration on Visible Semiconducting Polymer Nanoparticles for Photo-Driven Antibacterial Therapy. | Organic semiconducting polymer nanoparticles (SPNs) have emerged as promising therapeutic agents due to their favorable optical properties and biocompatibility. However, their application in infected wound healing remains limited by challenges such as poor structural stability and difficulty in post-synthetic modificat... |
41673446 | STI1 domain engages transient helices to mediate Dsk2 phase separation and proteasome condensation. | Ubiquitin-binding shuttle proteins are important components of stress-induced biomolecular condensates in cells. Yeast Dsk2 scaffolds proteasome-containing condensates via multivalent interactions with proteasomes and polyubiquitinated substrates under stress conditions. Here, we identify the chaperone-binding STI1 dom... |
41673320 | Single-cell transcriptomics reveal mechanisms of skeletal muscle differentiation across duck embryonic development. | Skeletal muscle development is cornerstone of vertebrate locomotion, relies on the functionally distinct muscle fiber-type. Although the cellular dynamics in myogenesis have been extensively studied, the developmental origins and pathways governing fiber-type diversification remain unresolved. Furthermore, the evolutio... |
41673147 | Targeting excessive cholesterol deposition alleviates secondary lymphoedema. | Lymphoedema is a chronic debilitating disease caused by impaired lymphatic drainage and is characterized by tissue swelling, fat expansion, inflammation and fibrosis<sup>1,2</sup>. However, the exact mechanisms that drive lymphoedema are poorly understood. Although lymphatic vessels are known to transport cholesterol f... |
41673139 | Injury and therapy in a human spinal cord organoid. | Damage to the spinal cord can lead to irreversible paralysis and loss of sensory function, but translation of preclinical therapies remains elusive. We recently showed that bioactive supramolecular assemblies of peptide amphiphiles can reverse paralysis in an acute mouse model following severe spinal cord injury (SCI).... |
41673020 | Dynamic guanidinium sulfate salt for selective carbon dioxide adsorption with negative pressure inflexion. | Hydrogen bonds' flexible distances and moderate strength entitle compounds to dynamic properties under external stimuli. Here we report multiple phase transitions and counter-intuitive CO<sub>2</sub> adsorption behavior of dynamic guanidinium sulfate (GS) salt assembled via hydrogen-bonds. Exploration based on the ener... |
41673006 | Polysaccharides and the colon mucus barrier: a review of biophysical interactions and functional impacts. | Polysaccharides are structurally diverse biopolymers that interact intimately with the colonic mucus barrier, modulating its physicochemical properties and biological functions. This review explores direct and indirect interactions between polysaccharides and colonic mucus that collectively shape mucus rheology, penetr... |
41673001 | Microbial regulation of stress-associated signaling molecules and its role in health and disease. | It has become increasingly appreciated that gut microbes influence host stress hormone responses through direct and indirect mechanisms. These relationships may have broad implications on hormone bioavailability, receptor signaling, and stress resilience. In this review, we summarize current evidence for microbe-stress... |
41672985 | Phosphorescent supramolecular systems for medicine anticounterfeiting. | Realizing reliable medicine anticounterfeiting with safe and robust materials remains a challenge. We address this issue by preparing a class of edible phosphorescent supramolecules (VB10@α/β-CDs) based on easily available α/β-cyclodextrins (α/β-CDs) and vitamin B10 (VB10). Concisely grinding them with water or co-crys... |
41672984 | A data-efficient foundation model for porous materials based on expert-guided supervised learning. | Foundation models require massive amounts of training data, which are often costly to obtain in materials science. Meanwhile, long-established physical knowledge such as molecular force fields and geometric analysis provides direct guidance for material behavior, but remains insufficiently leveraged. Here we demonstrat... |
41672943 | Direct Access to Fluorinated Organoselenium Compounds from Pentafluorobenzenes via One-Pot Na<sub>2</sub>Se-Based Synthesis: An Approach to Selenides and Diselenides. | Organoselenium compounds find broad applications across numerous fields. The synergistic combination of polyfluoroaromatic rings with organoselenium moieties generates unique molecular architectures with properties valuable for supramolecular chemistry, medicine, materials science, and organic synthesis. We report the ... |
41672888 | Nanozyme Aptasensor Array for Predictive Sensing of Virulent and Antibiotic-Resistant Staphylococcus Aureus strains. | Staphylococcus aureus, an important human pathogen, is the leading cause of infection-related death globally. It stands out as the only bacterial pathogen, apart from Mycobacterium tuberculosis, responsible for over a million fatalities each year. The emergence of antibiotic-resistant strains, such as methicillin-resis... |
41672435 | Dendrimeric Antigens for Passive Mast Cell Activation in the Evaluation of Amoxicillin Allergy. | <h4>Background</h4>Amoxicillin (AX) is frequently implicated in immediate IgE-mediated allergic reactions. Diagnosis is challenging, highlighting the need for new approaches enhancing in vitro sensitivity and specificity. Engineered nanostructures can mimic immunological recognition of hapten-carrier conjugates, offeri... |
41672429 | Antimicrobial and Proregenerative Hydrogel Promotes Healing of Infected Diabetic Wounds. | Diabetes is a prevalent chronic metabolic disorder, and wound infection represents one of its most common and severe complications─frequently leading to lower-limb amputation. Accelerating the healing of diabetic wounds remains a significant clinical challenge. Conventional wound dressings often necessitate frequent, c... |
41672059 | Committors without Descriptors. | The study of rare events is one of the major challenges in atomistic simulations, and several enhanced sampling methods toward its solution have been proposed. Recently, it has been suggested that the use of the committor, which provides a precise formal description of rare events, could be of use in this context. We h... |
41671513 | Integration of Dual Functions of Cytosensing and Highly Efficient Photothermal Therapy Using a Cascaded Ω-Shaped Fiber Optic Localized Surface Plasmon Resonance Sensor. | Elimination of circulating tumor cells (CTCs) is a promising way to inhibit tumor metastasis using antitumor devices. The current devices lack the functions for sensing the captured CTCs <i>in situ</i>, which causes potential toxicity and off-target effects in the therapy for CTCs. In this work, a novel cascaded Ω-shap... |
41671433 | Development of Prostate-Specific Lysosome-Targeting Degraders. | Targeted protein degradation (TPD) technologies have emerged as transformative therapeutic modality for treating cancers and other diseases. While significant progress has been achieved in intracellular protein degradation, degradation of membrane proteins and extracellular targets remains in an early stage. In this st... |
41671416 | Emerging Device Applications From Strong Light-Matter Interactions in 2D Materials. | Two-dimensional (2D) semiconductors provide a powerful platform for highly compact optoelectronic devices, spanning solar cells, photodetectors, light-emitting diodes (LEDs), and lasers. In these materials, tightly bound excitons dominate key metrics such as absorption strength, quantum efficiency, response speed, and ... |
41671395 | Photocatalytic Micro/Nanomotors Functioning in the Near-Infrared Window for Biomedical Applications. | Near-infrared (NIR) light-driven photocatalytic micro- and nanomotors are emerging as a new class of self-propelled micro/nanodevices for minimally invasive biomedical applications. By operating within the biological transparency window, they enable autonomous motion and light-induced redox reactions under biocompatibl... |
41671372 | Tunable 3D optohydrodynamic torques from optical phase gradient-driven colloidal assemblies. | Optohydrodynamic manipulation offers a versatile, noninvasive, and reconfigurable approach for controlling microscopic objects. Here, we present a strategy for generating tunable three-dimensional optohydrodynamic torques through phase gradient-driven nanoparticle assemblies. Using programmable optical ring vortices (L... |
41671365 | VapC36-mediated intrinsic stress adaption is required for copper tolerance and pathogenesis of <i>Mycobacterium tuberculosis</i>. | Here, we have used a comprehensive, system-wide approach to delineate the function of the virulence-associated proteins B and C 36 (VapBC36) toxin-antitoxin (TA) system in <i>Mycobacterium tuberculosis</i> pathophysiology. We show that VapC36 interacts with cognate and noncognate antitoxins. We demonstrate that <i>serX... |
41671359 | Unraveling design principles of protein landscapes in photosynthetic membranes in plant chloroplasts. | The supramolecular organization of proteins within photosynthetic membranes is crucial for energy conversion in plants. Here, we introduce an analytical and computational pipeline that integrates high-resolution cryo-scanning electron microscopy, biochemical quantification, advanced Monte Carlo computer simulations, an... |
41671350 | Hydrogen Bond Density over Energy Level Matching─A New Paradigm for Room-Temperature Phosphorescence in Doped Systems. | This research challenges the long-standing paradigm that energy level alignment is essential for achieving efficient phosphorescence in host-guest doped systems. We demonstrate that hydrogen bonding interactions can serve as a dominant factor for realizing ultralong organic room-temperature phosphorescence (UORTP), eve... |
41671322 | A humanized IFN-γ mouse model reveals skin eschar formation, enhanced susceptibility and scrub typhus pathogenesis. | Scrub typhus, caused by Orientia tsutsugamushi (Ot) bacteria, is a serious acute febrile illness associated with significant mortality. No effective vaccine is currently available, largely due to the complex Ot strain diversity and an incomplete understanding of protective immune mechanisms. To overcome these challenge... |
41671243 | Molecular docking approaches in mycetoma: Toward improved patient management. | Mycetoma is a neglected tropical disease characterised by chronic, granulomatous inflammation of the subcutaneous tissues, often leading to disfigurement, disability, and significant socioeconomic burdens. Caused by a diverse array of bacterial and fungal pathogens, eumycetoma is predominantly driven by Madurella mycet... |
41671205 | Sodium Ion Intercalation in Metal-Organic-Framework-Derived Porous V<sub>2</sub>O<sub>5</sub> Nanobelts Toward Durable and High-Capacity Cathode Material for Aqueous Zinc-Ion Batteries. | Vanadium (V)-based composites are promising cathodes for aqueous zinc (Zn)-ion batteries (AZIBs), but their low surface area, poor conductivity, and sluggish Zn<sup>2+</sup> diffusion severely limit performance. Here, metal-organic-framework-derived porous Na<sub>0.33</sub>V<sub>2</sub>O<sub>5</sub> (NVO) nanobelts (NB... |
41671179 | Synaptic transmission: Munc13 assembles onto PI(4,5)P<sub>2</sub>-rich domains into trimers that cooperate to capture vesicles. | Munc13-1 is a key protein involved in priming synaptic vesicles for rapid release at the presynaptic plasma membrane. It was previously revealed that Munc13-1 cycles between at least two alternate conformations, an upright (open) molecular conformation organized as a trimer and a lateral (closed) conformation organized... |
41670916 | Crystal Engineering of Reticular Materials for Gas- and Liquid-Phase Hydrocarbon Separation. | Crystal engineering focuses upon the design, properties, and applications of crystals, whereas reticular chemistry involves linking molecular building blocks to create network structures. The intersection of these areas is evident in the number of systematic studies of structure/function relationships concerning porous... |
41670634 | Determination of selected gadolinium-based contrast agents in soil: method validation and application. | The increasing use of reclaimed water for agricultural irrigation raises concerns about the environmental accumulation of persistent contaminants, including gadolinium-based contrast agents (GBCAs). These compounds, widely used in medical imaging, are excreted unmetabolized and poorly removed by conventional wastewater... |
41670617 | Atomic-Level Heterometallic Engineering in Single-Crystalline Polyoxometalate-Based MOF for Efficient Solar Photo-Thermo-Electric Conversion. | Owing to delocalized free electrons from mixed-valence Mo<sup>V</sup>/Mo<sup>VI</sup> sites, the resulting molybdenum-based polyoxometalates compounds exhibit broad-spectrum solar absorption and hold significant potential for solar energy utilization. However, in discrete molecular clusters, intervalence charge transfe... |
41670260 | Investigating the Effect of Defect Engineering via Soft Templating on the Water Adsorption Behavior of Metal-Organic Frameworks. | With a rising global population and worsening climate change, adsorption-based atmospheric water harvesting provides one potential method to mitigate the water crisis by generating water from atmospheric air. However, before porous sorbents can be integrated into water generating systems, the structure-property relatio... |
41670226 | Self-Assembly of a Rosin-Derived Glycosylated Surfactant into Chiral Wormlike Micelles with Unusual Viscoelasticity. | The development of supramolecular systems from renewable forestry resources holds considerable significance. In this study, a glycosylated surfactant (R-8-Glu) was synthesized from rosin. Its rigid dehydroabietic skeleton and the polyhydroxylated glucosyl headgroup drove the formation of elongated wormlike micelles, co... |
41670206 | MT-I/AuNP-Based Fiber-Optic SPR Biosensor for Ultralow Limit Triglyceride Detection and On-Site Hydrolysis. | Triglyceride (TG) is a critical biomarker in lipid metabolism and its trace-level detection and hydrolytic processes are important for human health management. Here, we present a novel approach involving the functionalization of a tilted fiber Bragg grating (TFBG) with Au-MT-I/AuNPs/lipase for plasmonic fiber-optic spe... |
41670039 | Self-Assembled Chiral Nanochannel Arrays with Amplified Signal for Self-Powered Enantiomer Discrimination. | Molecular chirality is significantly important for drug synthesis, material design, and other life activities. Thus, developing an efficient, convenient, and rapid technique for chiral recognition is of great industrial and physiological significance. Here, we demonstrate an electrochemical method for the sensitive rea... |
41669902 | A Rational Desymmetrization Approach for Enantioselective Synthesis of Inherently Chiral <i>C</i><sub>1</sub>-Symmetric Metal-Organic Cages. | The construction of <i>C</i><sub>1</sub>-symmetric architectures is of paramount importance, as their complete lack of symmetry creates a uniquely asymmetric confined environment, which is highly desirable for applications such as enantioselective recognition and catalysis. While numerous <i>C</i><sub>1</sub>-symmetric... |
41669875 | Endogenous Amplification of Apoptosis via p53 Regulation using a Cascade Nanocatalytic Medicine. | Nanocatalytic therapy is an emerging strategy that leverages in situ catalytic reactions within the tumor microenvironment to convert endogenous substrates into cytotoxic species, achieving spatially confined cancer cell killing with reduced systemic toxicity. However, the lack of durable, DNA-focused cytotoxic mechani... |
41669867 | A Supramolecular Ferroelectric With Two Sublattices and Polarization Dependent Conductivity. | The possibility to combine and finetune properties of functional molecular materials by chemical design is particularly relevant for organic ferroelectrics. In this work, we investigate a class of organic molecular materials that show long-range supramolecular organization into fibrillar bundles. In solid state, the ma... |
41669833 | Polypyrrole-Coated Microneedle Platform for Offline Electrochemical Detection of Interferon-Alpha in Interstitial Fluid. | Monitoring cytokines, such as interferon-alpha (IFN-α), is essential for assessing immune responses during viral infections and in immunotherapies. Here, we report the development of a microneedle-based electrochemical biosensor for detecting IFN-α in interstitial fluid (ISF), which combines minimally invasive sampling... |
41668624 | Cost-Effective Heptanuclear-Cluster-Based MOF for C<sub>2</sub>H<sub>2</sub> Capture and One-Step C<sub>2</sub>H<sub>4</sub> Purification from Ternary C<sub>2</sub> Hydrocarbon Mixtures. | In pursuit of cost-efficient adsorbent materials for capturing acetylene (C<sub>2</sub>H<sub>2</sub>) from mixtures of C<sub>2</sub> hydrocarbons and CO<sub>2</sub>, we have designed a novel 3D framework <b>Co7-Me·S</b> using inexpensive isonicotinic acid (Hina) and methyl-modified isophthalic acid (H<sub>2</sub>Me-ip)... |
41668609 | The Heterocycle Isostere Explorer: A Computational Tool for the Discovery of Novel Aromatic Heterocyclic Isosteres. | Aromatic heterocycles are central to many areas of chemistry and play an important role in medicinal chemistry, where they are frequently used as bioisosteres to modulate molecular properties while preserving potency. Here, we report the heterocycle isostere explorer (HCIE), an easy-to-use, open-source Python tool for ... |
41668600 | Cu-Catalyzed Atroposelective Protoboration of Allenes to Access Stereodefined Tetrasubstituted Axially Chiral Alkenylboronates. | Alkenylboronates represent a cornerstone functional group in modern organic synthesis owing to their versatile reactivity in Suzuki-Miyaura cross-coupling reactions and other key transformations. However, catalytic asymmetric methods for producing stereodefined tetrasubstituted axially chiral alkenylboronates remain un... |
41668582 | Infinite Coordination Polymer @MOFs Nanocomposites for Highly Cost-Effective Tumor Therapy Utilizing Synchronously Electrothermal-Photodynamic Induced Mutually Reinforcing Strategy. | Multimodal tumor therapies suffer from poor spatial co-localization, asynchronous activation, and weak cross-modal reinforcement, leading to limited therapeutic efficiency. Here, we report a photoelectric therapy needle (PTN) system that achieves in situ synchronous electrothermal-photodynamic therapy (synchronous ETT-... |
41668534 | Automated Assembly of Polyglucuronic Acids for Structural Explorations. | Polyuronic acids are important biopolymers in marine organisms, where they contribute to extracellular matrix modulation, cell signaling, and carbon cycling. However, the intrinsic structural heterogeneity of polyuronic acids has hindered efforts to establish clear structure-function relationships. Here, we report an a... |
41668206 | Optimization of potential targets for antidepressant Chinese medicines: AI and multi-omics methods. | The complexity of traditional Chinese medicine (TCM), with its numerous components, targets, and varying efficacy, presents challenges for current evaluation methods. Most existing methods rely on single, qualitative indicators, which provide limited insight into the overall quality. These methods fail to fully capture... |
41667828 | Rational design of a cascade CdS/C<sub>3</sub>N<sub>4</sub>/COF heterostructure for high-performance Cr(VI) photoreduction. | Photocatalytic reduction of highly toxic Cr(VI) is fundamentally limited by inefficient charge separation and nonselective carrier recombination in conventional heterojunctions. Here we introduce a cascade CdS/C<sub>3</sub>N<sub>4</sub>/COF architecture in which charge recombination is deliberately engineered rather th... |
41667627 | Molecular docking and dynamic simulation of marine natural products from soft coral-derived microbes against SARS-CoV-2 main protease and spike protein. | Coronavirus disease 2019 (COVID-19) is caused by the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2). Two key therapeutic target proteins of SARS-CoV-2, the Spike (S) protein and the main protease (Mpro), facilitate the entry of virus and its replication inside the host cell, respectively. Notably, several... |
41649343 | Identification of fidelity-determined residues of Porcine reproductive and respiratory syndrome virus through structural alignment. | Porcine reproductive and respiratory syndrome virus(PRRSV) is an economically important pathogen for global pork industry. As a positive-strand RNA virus, lacking exonuclease-mediated proofreading, its RNA-dependent RNA polymerase (RdRP) domain within the nonstructural protein 9(nsp9) plays a vital role in maintaining ... |
41609204 | Insights into the intermolecular interactions between stacked antiaromatic 24-π hexaphyrin macrocycles: variation of the magnetic response properties. | The understanding of antiaromatic characteristics and their variations requires the study of medium-sized species, towards a generalization of their behavior. In this work, we account for a medium-sized hexaphyrin macrocycle, namely naphthorosarin, which features an antiaromatic 24-π electron kernel. The structure exhi... |
41603866 | Contemporary DFT: learning from traditional and recent trends for the development and assessment of accurate exchange-correlation functionals. | Density functional theory (DFT) is the most widely and accepted model for calculating the electronic structure of physical systems, but practical applications rely on approximations to the (still) unknown exact exchange-correlation functional. We revisit here the main advances, families, and tipping points for the deve... |
41603767 | Chirality-induced spin selectivity: an interdisciplinary perspective from chemical physics to biology. | The chirality-induced spin selectivity (CISS) effect refers to an interdisciplinary quantum phenomenon in which chiral molecules influence the spin of the electrons passing through them. Since the groundbreaking discovery of the CISS effect in 1999 by Prof. Ron Naaman and co-workers, considerable theoretical and experi... |
41603437 | Systematic investigation of solvent-dependent aggregation-induced emission in alkyl chain-bridged lignin-based amphiphilic polymers. | Aggregation governs the photophysical properties of fluorophores, particularly in aggregation-induced emission (AIE) systems, where emission efficiency is contingent upon regulated molecular packing. Lignin, as the most abundant renewable natural aromatic polymer, constitutes a sustainable scaffold for the development ... |
41591757 | Facile synthesis of zeolitic imidazolate framework coated glass microspheres. | In this study we report a facile one-step, room temperature synthetic methodology for fabricating ZIF-8-coated phosphate-based glass (PBG) microspheres. ZIF-8 was grown <i>in situ</i> onto solid (non-porous) and porous P40 glass microspheres (composition 20Na<sub>2</sub>O-24MgO-16CaO-40P<sub>2</sub>O<sub>5</sub>, avera... |
41589325 | CO<sub>2</sub> photoreduction on mixed Ti/Zr-MOF-525: bicarbonate as the active intermediate and the role of Ti substitution. | The photocatalytic reduction of CO<sub>2</sub> in metal-organic frameworks (MOFs) offers a sustainable route to C<sub>1</sub> fuels and chemicals. Herein, density functional theory (DFT) calculations elucidate CO<sub>2</sub> reduction on mixed Ti/Zr-MOF-525 clusters bearing missing linker defects, modeled by Zr<sub>6</... |
41589027 | Freeze-resistant multi-functional organohydrogel reinforced with bi-metallic MOFs for advanced strain sensors and flexible communication devices. | Hydrogel-based wearable electronics have attracted significant attention in recent years; however, their progress is hindered by shortcomings such as weak mechanical strength and poor freezing resistance. In this work, we have overcome these limitations by presenting a highly stretchable and mechanically reinforced zin... |
41569511 | Assessment of solvent exposure of native cysteines in human Hsp90 using thiol-reactive functional tags. | The biological functions of the molecular chaperone Hsp90 are driven by pronounced conformational dynamics, yet the local structural features of these dynamics under phyisological conditions remain incompletely understood. Here, we systematically assessed the solvent accessibility of native cysteine residues in wild-ty... |
41543434 | Molecular versatility of polyproline II helices: from natural proteins to biomimetic materials. | The polyproline II helix is more common as a secondary structure than previously thought. Its significance extends to mediating various protein-protein interactions, both structurally and functionally, in natural systems. This structure is associated with the formation of supramolecular assemblies, which have been inve... |
42007064 | Applications of Nanopipettes in Scanning Ion Conductance Microscopy for High-Spatial-Resolution Topographic Imaging and Sensing in Single Cells. | Membrane structures and cellular phenomena have been studied using scanning ion conductance microscopy (SICM). Conventional techniques for studying single cells, such as optical microscopy, fluorescence microscopy, electron microscopy (EM), and atomic force microscopy (AFM), have provided a wealth of information on the... |
41970216 | Bile acid signaling, metabolism, and aging. | Bile acids (BAs) serve not only as key facilitators of lipid absorption but also as crucial signaling molecules regulating glucose and lipid metabolism, inflammation, and overall energy homeostasis. Aging profoundly alters BA metabolism, characterized by shifts in biosynthetic pathways, compositional changes, disrupted... |
41938781 | The probiotic bacteria and their encapsulated forms as food components: Survival, effects and quality. | In this review, we summarised the information on probiotic bacteria and their encapsulated forms as functional food components, emphasising survival, technological effects, and product quality. Probiotics from genera such as <i>Bifidobacterium</i> and <i>Lactobacillus</i> are widely used to prevent and manage gastroint... |
41919061 | Pathophysiology of Cerebral Microbleeds in Patients with Severe Respiratory Failure and Acute Respiratory Distress Syndrome: A Scoping Review. | Cerebral microbleeds (CMBs) are increasingly identified in critically ill patients with severe respiratory failure and acute respiratory distress syndrome (ARDS). This scoping review aims to systematically examine the existing literature to explore the mechanisms contributing to the development of CMBs in ARDS and to s... |
41909622 | Advances in molecular dynamics approaches for investigating cell-penetrating peptides. | Membrane active peptides (MAPs) are short, cationic peptides capable of interacting with biological membranes, often altering their structure or function. Two of the most important classes of MAPs are cell-penetrating peptides (CPPs), which can translocate cellular membranes without causing cytotoxicity, and antimicrob... |
41909613 | Ion transport in biological ion channels beyond classical electrostatics. Nanoscale confinement, non-linear concentration patterns and interfacial effects. | Membrane transport has been the subject of intense investigation during decades in diverse scientific disciplines like physical chemistry, biophysics, and electrochemistry. While simplified models derived from continuous electrostatics generally hold, nanometer-sized channels often exhibit unexpected behaviors that ste... |
41867255 | Endocytic Adaptor Proteins in Vascular Diseases: Critical Role of Intracellular Trafficking in Regulating Pathobiology of Vascular Disorders. | Endocytic adaptor proteins are essential regulators of intracellular trafficking, coupling receptor internalization with downstream signaling. Recent discoveries have deepened our understanding of how endocytic adaptor proteins contribute to both physiological and pathological processes in the vascular system. This rev... |
41822057 | Hyperlipidemia in membranous nephropathy. | Membranous nephropathy (MN) is a common glomerular disease leading to nephrotic syndrome in adults, clinically characterized by massive proteinuria, hypoalbuminemia, and prominent hyperlipidemia. Growing evidence suggests that hyperlipidemia is not merely a secondary consequence of MN, but may also play a critical role... |
41810080 | One-Stone-Three-Birds Biomimetic Oral Targeting Delivery Strategy for On-Demand Controlled Drug Release and Intervertebral Disc Degeneration Therapy. | Intervertebral disc degeneration (IDD) is a multifactorial condition characterized by excessive inflammation, immune dysfunction, and metabolic disorders. Current therapeutic strategies primarily rely on local injection, a traumatic approach associated with risks of tissue damage and infection. Therefore, developing sa... |
41809055 | The role of receptor binding and immunity in SARS-CoV-2 fitness landscape: A modeling study. | Despite extensive research on SARS-CoV-2 ACE2 binding and transmissibility, their relationship concerning varying immunity remains unclear. SARS-CoV-2 receptor-binding domain (RBD) sequences from Italy in GISAID, combined with multiple deep mutational scanning data, were used to calculate ACE2 binding score and immune ... |
41799058 | Crystal structures of an azo-benzene-bridged aza-18-crown-6 cryptand and a sodium complex thereof. | We report the single-crystal X-ray diffraction structures of the azo-benzene-bridged aza-18-crown-6 cryptand 7,16-[3,3'-(diazene-1,2-di-yl)bis-(1,3-phenyl-enecarbon-yl)]-1,4,10,13-tetra-oxa-7,16-di-aza-cyclo-octa-decane, C<sub>26</sub>H<sub>32</sub>N<sub>4</sub>O<sub>6</sub>, <b>1</b>, and its sodium complex poly[[{μ-7... |
41798169 | Targeted Photodynamic Therapy for Multispecies Dental Biofilms Using Liposome Encapsulated p-Toluquinone. | Oral infections remain highly prevalent among individuals with limited access to routine dental care. Blue light (BL) offers a promising alternative for managing these infections, but its efficiency is limited without BL-activated photosensitizers. Here, we engineered an ionizable liposome to encapsulate a newly identi... |
41789331 | Statin-Mediated Modulation of Nrf2 Signaling: Mechanisms and Therapeutic Implications in Atherosclerosis. | Statins are the cornerstone of lipid-lowering therapy and exert significant pleiotropic effects, including antioxidant and anti-inflammatory actions, which contribute to statin-mediated cardiovascular benefits. A key mechanism underlying these effects is the indirect activation of the nuclear factor erythroid 2-related... |
41783742 | Differentiating the Role of Osmotic Pressure and Ionic Interactions on Self-Healing Polymers. | Self-healing polymers can recover from physical and chemical damage autonomously, which improves the durability and performance of systems that rely on these polymers. To design self-healing polymers that work well in practical applications, it is important to understand the impact that the presence of different ions h... |
41768745 | Novel Application of Voltammetric Sensors to Characterize the Electrochemical Behavior of Porous Media. | The objective of this study is to assess the feasibility of using embedded voltammetric sensors for the electrochemical characterization of porous materials, specifically concrete, and to analyze how environmental conditions influence their response. Cyclic voltammograms were recorded in solutions simulating various po... |
41752387 | Unravelling Rational Design of Molecularly Imprinted Polymer for Selective Mitragynine Isolation from Kratom: Quantum Mechanical, Molecular Dynamics, and Experimental Insights. | <i>Mitragyna speciosa</i>, commonly referred to as kratom, is known for its active compound, mitragynine, which is classified as a new psychoactive substance. The availability of mitragynine standards remains a challenge, highlighting the need for effective and efficient methods for isolating this compound from kratom.... |
41751011 | Integrative Analysis of Whole-Genome Bisulfite Sequencing and RNA-Seq in Skeletal Muscle of Xin'anjiang Water Buffalo. | Xin'anjiang water buffalo (XAJB) is crucial for meat production and agricultural activities in Anhui Province of China. To generate hypotheses regarding how DNA methylation might correlate with transcriptional differences in skeletal muscle, WGBS and RNA-seq were performed on three BF and three BM adult XAJB. The resul... |
41749838 | Current Research Progress on ABHD5 in Cancers. | Lipid metabolism sits at the heart of tumor initiation, progression, metastasis, and resistance to chemotherapy. Against this background, the regulation of lipid flux has emerged as a fertile ground for anticancer strategies. Chanarin-Dorfman syndrome (CDS), a rare genetic disorder marked by massive lipid droplet accum... |
41743743 | Ensemble molecular mimicry correlates with antibody cross-reactivity in proteome-wide studies. | Energetics of protein-protein binding necessarily include contributions both from conformational equilibria and from interfacial interactions. In the particular case of an antibody binding to a protein epitope, the conformational contribution is typically neglected as the antibody-bound and free forms of the protein ar... |
41743725 | PTEN-mTORC2 signaling module controls antibody isotype selection and antiviral humoral immunity. | <h4>Introduction</h4>The phosphoinositide 3-kinase (PI3K) pathway is a central regulator of activated B cells, yet how PI3K signal strength is interpreted within complex signaling networks to achieve appropriate antibody isotype selection and protective humoral immunity remains incompletely understood. Building on prio... |
41743162 | Galangin-loaded biomimetic dendritic cells membrane nanovaccine reprograms the ovarian cancer microenvironment <i>via</i> Stat3/IDO1/AhR axis to boost immunotherapy. | Ovarian cancer, a highly lethal gynecological malignancy with high recurrence rates and low survival, poses significant treatment challenges. While immunotherapy, particularly dendritic cell (DC) vaccines, boosts immune responses, its clinical efficacy is limited by poor antigen presentation and weak lymph node targeti... |
41743135 | Respiratory syncytial virus (RSV) antibody and small-molecule drugs: current status of clinical translation and challenges. | <h4>Background</h4>respiratory syncytial virus (RSV) remains a leading cause of lower respiratory tract infections worldwide, imposing a substantial disease burden on infants, older adults, and immunocompromised individuals. Despite its prevalence, therapeutic options have historically been limited, with no specific an... |
41743134 | Anti-GPV activity of <i>Lactobacillus</i>-fermented traditional Chinese medicines. | <h4>Background</h4>Honeysuckle and gardenia are classified as cold-natured traditional Chinese medicinal herbs, with chlorogenic acid and gardenoside recognized as their major bioactive components. Modern pharmacological studies have confirmed their antiviral, anti-inflammatory, antioxidant, and immunomodulatory activi... |
41743132 | Rewriting the viral script: post-translational modifications orchestrating SARS-CoV-2 pathogenesis and immune evasion. | SARS-CoV-2 reprograms host cell biology not solely through its genomic content but also through a sophisticated arsenal of post-translational modifications (PTMs) that modulate viral protein function, host signaling networks, and immune responses. Despite increasing recognition of PTMs as dynamic regulators of infectio... |
41743089 | Structural characterization of recombinant humanized type III collagen cold gel and its effects on the biological functions of HaCaT cells. | Recombinant humanized collagen has been widely used in the biomedical field. This study focuses on the characterization of a novel recombinant humanized type III collagen cold gel (C3Gel). To verify the structural integrity of C3Gel and explore its <i>in vitro</i> cytocompatibility and potential biological applications... |
41744735 | CRISPR/Cas System-Based Biosensors. | Over the past decade, clustered regularly interspaced short palindromic repeats (CRISPR) and CRISPR-associated (Cas) proteins, originally identified as adaptive immune systems in bacteria and archaea that defend against invading nucleic acids, have revolutionized biological research [...]. |
41743968 | Deciphering the anti-atherosclerotic mechanisms of Danggui-Chuanxiong herb pair: a synergistic approach combining computational prediction and <i>in vivo</i> verification. | <h4>Introduction</h4>Danggui-Chuanxiong is a classic Chinese medicine formulation clinically employed for atherosclerosis (AS) management by modulating lipid metabolism and improving hemodynamic properties.<h4>Materials and methods</h4>Integrated network pharmacology, molecular docking and molecular dynamics simulation... |
41743838 | Biomimetic electrospun scaffolds for engineered heart tissue: from design parameters to drug testing platforms. | Electrospun nanofibers have emerged as a promising platform for cardiac tissue engineering, offering unique opportunities to recapitulate the native myocardial extracellular matrix (ECM) architecture. This comprehensive review examines the critical design parameters affecting cardiomyocyte function and maturation on el... |
41732389 | Silica nanoparticles as advanced platforms for nucleic acid delivery. | Nucleic acid therapeutics, including siRNA, mRNA, plasmid DNA, and CRISPR/Cas systems, have demonstrated remarkable potential but continue to face translational barriers related to systemic instability, immune activation, and inefficient intracellular delivery. Conventional lipid and polymeric carriers, although clinic... |
41732384 | T cell-inspired therapeutic delivery platforms: From nanomedicines to cell therapy. | Targeted nanodrug delivery has garnered significant interest as a carrier for drugs, genes, and vaccines. Despite their clinical potential, these nanocarriers face substantial challenges due to their exogenous nature. These challenges can be addressed by employing T cell-inspired approaches for targeted therapies. T ce... |
41732175 | Fracture prediction using 3D-DXA-finite element based femoral strength: a prospective study in postmenopausal women. | Although areal bone mineral density (aBMD) measured by DXA is a good predictor of fractures, nearly half of low-trauma fractures occur in individuals without osteoporosis (T-score > -2.5 SD). This study investigated whether femoral strength estimated from 3D DXA-based finite element (FE) analysis enhances the predictio... |
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