id
stringlengths
4
8
title
stringlengths
1
642
abstract
stringlengths
50
17.9k
41567862
Pyrrolopyrimidine derivatives as dual COX-2/ACE2 inhibitors: design, synthesis, and anti-inflammatory evaluation.
In this study, we report the design and synthesis of a new series of pyrrolopyrimidine derivatives developed as dual-target nonsteroidal anti-inflammatory agents (NSAIDs). The compounds were evaluated for anti-inflammatory properties, cyclooxygenase-1/2 (COX-1/COX-2) inhibitory activity, and angiotensin-converting enzy...
41567734
Ferritin-nanocaged aggregation-induced emission nanoaggregates for integrated sensitive detection and treatment of gastric cancer.
Gastric cancer remains a global health challenge due to late diagnosis and limited targeted therapies. Herein, we report a novel dual-targeted nanoplatform, AIE@HFn-scfv, integrating aggregation-induced emission luminogens (AIEgens) with human heavy-chain ferritin (HFn) conjugated to Claudin18.2-specific single-chain v...
41567205
The role of immunoglobulin E in non-atopic disorders.
Immunoglobulin E (IgE) and its corresponding Fc epsilon receptors (FcϵRs) are essential components of the immune system. The constant, crystallizable fragment (Fc) region of IgE binds with high affinity to its specific receptor, FcϵRI, anchoring IgE molecules to the surface of effector cells such as mast cells and baso...
41567160
Odorant-binding protein 84a-1 mediates detection of Guire No.82 mango volatiles in <i>Bactrocera dorsalis</i>: from structural analysis to behavioral validation.
<i>Bactrocera dorsalis</i> is a serious pest of mango, causing heavy losses during fruit ripening. Odorant-binding proteins (OBPs) are pivotal in insect olfaction, facilitating the detection of host plant volatiles. In this study, we focused on <i>OBPs</i> that mediate responses to volatiles from the Guire No.82 mango....
41562694
Lipopeptides from &lt;i&gt;Bacillus&lt;/i&gt; Probiotics Can Target Transmembrane Receptors NOX4, EGFR, PDGFR, and OCTN2 Involved in Oxidative Stress and Oncogenesis.
<i>Bacillus</i>-derived lipopeptides are known to possess diverse biological activities, including antimicrobial and anticancer properties, though the mechanisms of such effects at the molecular level remain incompletely understood. We investigated whether non-ribosomal peptide metabolites from <i>Bacillus</i> can dire...
41551726
A therapeutic antisense oligonucleotide encompassing 2'-&lt;i&gt;O&lt;/i&gt;-methoxyethyl modification triggers unique perturbation of the transcriptome.
Nusinersen, an antisense oligonucleotide (ASO) encompassing a phosphorothioate backbone and 2'-<i>O</i>-methoxyethyl (MOE) modifications, is commonly used for the treatment of spinal muscular atrophy (SMA), the leading genetic cause of infant mortality. Nusinersen acts through prevention of skipping of exon 7 of <i>Sur...
41550492
Analysis and characterization of a novel metallophosphoesterase from &lt;i&gt;Akkermansia muciniphila&lt;/i&gt; involved in lipid degradation.
Gut microbes play an important role in the regulation of host health. Multiple studies have shown that <i>Akkermansia muciniphila</i>, as a promising beneficial gut bacterium, is robustly associated with positive effects on host metabolism, immunological regulation, and its presence inversely correlates with body weigh...
41541275
&lt;i&gt;Polygonatum dabieshanense&lt;/i&gt; (Asparagaceae), a new species from the Dabieshan Mountains, Anhui and Henan provinces, China.
<i>Polygonatum dabieshanense</i> (Asparagaceae), a new species from the Dabieshan Mountains, Anhui and Henan provinces, China, is described and illustrated. It is most similar to <i>P. praecox</i>, <i>P. cyrtonema</i>, and <i>P. odoratum</i> but can be distinguished by having a yellow terete rhizome, a terete stem, ell...
41536435
Strong d-p orbital hybridization in cobalt porphyrin cages promotes electrochemical nitrate reduction to ammonia.
The electrocatalytic reduction of nitrate (NO<sub>3</sub>RR) to ammonia presents a viable solution for addressing nitrate pollution and offers an environmentally-friendly, energy-efficient alternative for industrial ammonia synthesis. However, the absence of efficient electrocatalysts impedes its industrial application...
41529529
Device surface-functionalized ac-SDKP nanoassemblies accelerate endothelial recovery through dual anti-inflammatory and endothelial homeostatic mechanisms.
While stents are cornerstone treatments for atherosclerosis, in-stent restenosis remains a challenge. Engineering stent surfaces with specific biochemical signals can prevent this by promoting the crucial and timely regeneration of the endothelium. In this work, Ac-SDKP (N-Acetyl-Ser-Asp-Lys-Pro), an anti-inflammatory ...
41520610
Synergistic modulation of inflammation and angiogenesis by a polyphenol-functionalized MOF nanozyme for enhancing wound closure.
Persistent inflammation, excessive oxidative stress, and impaired angiogenesis are persistent challenges that adversely affect skin wound healing, which are particularly prominent in diabetic wounds and often lead to hindered repair processes. Bioactive materials with integrated anti-inflammatory, reactive oxygen speci...
41509526
Cutting edge advancements in biochar applications: bridging environmental remediation through adsorption and photocatalysis.
The contamination of the environment with toxins from both organic and inorganic resources has instigated numerous hazardous complications in plants and animals since the commencement of the industrial era. Many hazardous organics are very stable in both soil and water and can persist in the environment for a long time...
41506469
Arachidonic acid-functionalized micelle induces ferroptosis of tumor cells to overcome chemotherapy resistance for breast cancer therapy.
Chemotherapy plays an irreplaceable role in the clinical treatment of malignant tumors, yet drug resistance remains a major cause of suboptimal therapeutic outcomes. Ferroptosis, a regulated cell death modality, offers a promising therapeutic strategy, as the chemotherapy-resistant tumor cells exhibit heightened sensit...
41505255
DNA-PKcs controls the cytotoxic T cell response to cancer and transplant allograft through regulating LAT-dependent signaling.
Formation of the immune synapse (IS) following T cell antigen recognition includes recruitment of the linker for activation of T cells (LAT). Once at the IS, LAT tyrosines are phosphorylated, allowing it to serve as a scaffold for the formation of the "signalosome," a multiprotein complex that drives T cell receptor si...
41503510
Atomically dispersed high-loading metals and metalloids on a graphene quantum dot-support for selective electrochemical desulfurization.
The amendment of electronic structures in heterogeneous catalysts has mainly been established as one of the most efficient approaches for enhancing catalytic performances in redox reactions. Herein, nitrogen-doped graphene quantum dot nanosheets with atomically dispersed metal-based nanocomposites were fabricated throu...
41503503
Evaluating the biological characteristics of targeted ZIF-8-encapsulated individual and combined drug systems for enhanced &lt;i&gt;in vivo&lt;/i&gt; toxicity mitigation using folic acid ligands.
The management of toxicity, and the fulfillment of safety requirements are considered as the most prominent challenges associated with cancer drug delivery. This study introduces a novel pH-responsive nanoparticle system based on ZIF-8 for the co-delivery of a ruthenium(ii) polypyridyl complex (RuPIP) and olaparib (Ola...
41503501
Rational design of phenyl 2,4,5-trichlorobenzenesulfonate based thiosemicarbazones as α-glucosidase and α-amylase inhibitors: integrating enzymatic evaluation and molecular modeling.
The present study aimed to investigate the antidiabetic potential of a new series of thiosemicarbazone derivatives through integrated <i>in vitro</i> enzymatic assays and <i>in silico</i> molecular modeling. The synthesized compounds were evaluated for their inhibitory activities against α-glucosidase (α-Glu) and α-amy...
41503500
A simple approach to fabricate a highly-sensitive lead(ii) ion electrochemical sensor based on plate-shaped Cu-BTC and particle-shaped Fe-BTC.
A challenging task is to study and improve the electrochemical behaviors and sensing performance of Fe-BTC and Cu-BTC-based electrodes for sensitive detection toward lead(ii) ions (Pb<sup>2+</sup>). In the present work, particle-shaped Fe-BTC was effectively decorated on the plate-like Cu-BTC substrate to form a 3D-com...
41503495
Engineering of a kaolin/SLS-functionalized biochar@β-cyclodextrin composite for adsorption of &lt;i&gt;o&lt;/i&gt;-nitrophenol; optimization, mechanistic study, and Box-Behnken design.
In this investigation, a good adsorbent was created by combining kaolin, β-cyclodextrin, and sodium lauryl sulfate-functionalized biochar, resulting in a new Kaol/SLS-BC/β-CD composite. Assorted analyses were used to characterize the chemical/physical properties of the Kaol/SLS-BC/β-CD. The adsorption capability of the...
41503494
Synthesis, crystal structure and DFT studies of a methylphenyl piperazinyl dithiocarbamato zinc(ii) precursor for zinc sulfide nanophotocatalysts used for the degradation of trypan blue and rhodamine 6G dyes.
A 1-(4-methylphenyl)piperazinyl dithiocarbamato-<i>S</i>,<i>S</i>' Zn(ii) complex was prepared, and its molecular structure was determined using single-crystal X-ray crystallography. The zinc(ii) dithiocarbamate compound crystallized as a dimeric structure with two zinc(ii) ions that are coordinated to two molecules of...
41503493
Upconversion materials: a new frontier in solar water-splitting.
Limited utilization of the solar spectrum is a major bottleneck in photocatalytic water-splitting, as most semiconductor photocatalysts only harness UV or visible light, leaving a large fraction of infrared photons unused. Upconversion materials have emerged as a promising solution by converting two or more low-energy ...
41503492
Decyl glucoside as a sustainable surfactant for cosmetic formulations: environmental stability under hardness, pH, and temperature variations.
Environmental variability (including fluctuations in water hardness, pH, and temperature) can markedly affect the performance and stability of surfactants in cosmetic formulations. This study systematically evaluates the environmental robustness of three representative surfactants-Sodium Lauryl Ether Sulfate (SLES, ani...
41503014
A cucurbit[8]uril-triggered ionic photosensitizer in solution and solid states: selective control of &lt;sup&gt;1&lt;/sup&gt;O&lt;sub&gt;2&lt;/sub&gt; and O&lt;sub&gt;2&lt;/sub&gt;˙&lt;sup&gt;-&lt;/sup&gt; generation.
Selective control of reactive oxygen species (ROS) generation captures the imagination of scientists because of its broad potential applications in photochemical reactions and biomedicine. Herein, we develop a novel supramolecular method enabling selective control of <sup>1</sup>O<sub>2</sub> and O<sub>2</sub>˙<sup>-</...
41502089
Phosphatidylinositol phospholipids drive hepatitis C virus core protein assembly on lipid membranes.
Hepatitis C virus (HCV) genome codes for various proteins essential to its replication cycle. Among these, the core protein (HCC) forms the capsid via organized multimerization, thereby guiding viral assembly. This process depends on the dynamic localization of HCC between the endoplasmic reticulum bilayer membrane and...
41502088
Deaths in gene therapy of Duchenne muscular dystrophy and other diseases: Underlying mechanisms and mitigating strategies.
Duchenne muscular dystrophy (DMD) is a fatal muscle degenerating disease caused by dystrophin deficiency. Adeno-associated virus (AAV)-based gene therapy holds promise for restoring missing dystrophin and improving quality of life. Many clinical trials have been conducted or are ongoing. Despite compelling preclinical ...
41500123
CRISPR-Cas12a biosensing technology advances and applications in precision diagnostics and cancer research.
CRISPR-Cas12a has become a versatile biotechnology platform with important applications in biosensing, diagnostics, and precision genome editing. This system is activated by a single crRNA, exhibits target-responsive trans-cleavage activity, and recognizes programmable PAM sequences. These features provide a robust bas...
41500120
Multi-omics identifies oxidative stress, prothrombotic pathways, and lactoperoxidase variants as key factors in COVID-19 severity.
<h4>Background</h4>Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infected over 26 million individuals in Italy, resulting in ∼200,000 COVID-19-related deaths. Unravelling host genetic factors underlying disease severity is key to understanding progression mechanisms.<h4>Methods</h4>We applied multi-omics...
41499826
Bridging or exchanging partners? A supramolecular perspective on bifunctional molecules and their potential for triggerable enzyme therapy.
Bifunctional molecules are commonly regarded as proximity-inducing compounds (PICs) that bridge two proteins to generate novel biological outcomes. Here, we highlight a distinct and emerging subclass, termed partner-exchanging molecules (PEMs), which cannot bind both protein partners simultaneously. Instead, they act t...
41496585
Model Lipid Bilayers as Platforms for Replicating Bacterial Membranes: A Study of Dynamics and Structural Heterogeneity.
The remarkable complexity of bacterial cell membranes, combined with their diverse chemical composition and constantly changing internal physicochemical parameters, makes them exceptionally challenging to study <i>in vivo</i>. With many novel antibiotics targeting the bacterial cell envelope, considerable effort is now...
41496590
Advancing Quantitative &lt;sup&gt;31&lt;/sup&gt;P NMR Spectroscopy for Reliable Thiol Group Analysis.
Accurate thiol quantification is essential for advancing thiol-X-ligation strategies in polymer and materials synthesis. Conventional assays, most notably Ellman's test, are limited in scope, particularly for hydrophobic or multifunctional thiols. Here, we introduce a straightforward and broadly applicable <sup>31</sup...
41496564
Cyclodextrin-based delivery of Annexin A1 mimetic Ac2-26 enhances anti-inflammatory effect and prevents dengue-induced lethality combined with antiviral therapy.
<h4>Background and purpose</h4>Severe dengue is characterised by systemic inflammation, cytokine storm, vascular leakage and haemorrhagic manifestations, largely driven by the host immune response to dengue virus (DENV) infection. Despite its burden, no licensed antivirals or host-directed therapies are currently avail...
41496549
Multidimensional maturation of antibody variable domains with machine-learning assistance.
In antibody development, a mutagenesis approach has been widely used to improve affinity, but such mutations often compromise biophysical properties. Here, we combined molecular evolution with machine learning to simultaneously improve affinity and expression level of camelid heavy-chain antibody variable domains (VHHs...
41496521
Host-Guest Interaction-Controlled Site-Selective C-H Borylation of Aromatic Compounds.
The site-selective transformation of aromatic compounds remains a challenge in organic synthesis. Conventional methods for controlling site-selectivity often use directing groups, which limit substrate availability owing to the need for coordinating functional groups. Herein, we report a strategy in which the cyclic mo...
41496494
Electrospun PVP/HPBCD nanofiber topical drug delivery platform for enhanced skin permeability and anti-pollution bioactivity of &lt;i&gt;Artocarpus altilis&lt;/i&gt; extract.
<i>Artocarpus altilis</i> methanolic extract (AAM) exhibits potent protective effects against particulate matter (PM)-induced skin damage; however, its poor aqueous solubility and limited skin permeability restrict its topical bioavailability. To overcome these limitations, we developed a polymer-based drug delivery sy...
41496353
Extracellular vesicles from microalgae as natural bioactive agents for UVB protection, anti-aging, and skin depigmentation.
The search for effective dermocosmetic treatments has recently been accompanied by the growing demand for ingredients that are both naturally derived and sustainable. In this context, microalgae have emerged as a promising biofactory, producing bioactive compounds for skin health, widely recognized for their antioxidan...
41496300
Unlocking the gasotransmitter: hydrogen sulfide as a multitarget regulator in ischemia-reperfusion injury.
Ischemia-reperfusion injury, a critical pathophysiological phenomenon in multiple organ systems, remains a formidable therapeutic challenge in clinical practice. As the third endogenously produced gaseous signaling molecule, hydrogen sulfide (H2S) has emerged as a pivotal regulator of diverse physiological processes an...
41496304
Comprehensive strategy of sonodynamic therapy and gas therapy on tumor treatment.
Sonodynamic therapy has emerged as a novel non-invasive treatment for cancer with limited single effects. To achieve optimal therapeutic efficacy, sonodynamic therapy frequently needs to be combined with other therapeutic strategies. By exploiting the biological properties of specific gas molecules, gas therapy is an e...
41496306
Gas therapy: an innovative application for intervertebral disc degeneration.
FactsGas therapy represents a novel and promising therapeutic paradigm for intervertebral disc degeneration, utilizing bioactive gases to modulate oxidative stress, inflammation, and extracellular matrix metabolism.Certain gas therapies, such as medical ozone and hyperbaric oxygen, have already been translated into cli...
41496303
Research and application of gas therapy in preventing biofilm associated infections.
Conventional antibiotic therapies often fail to eradicate biofilms, which can lead to persistent infections and significant clinical challenges. Gas therapy, which utilizes the unique properties of gas molecules such as nitric oxide, carbon monoxide, hydrogen, and hydrogen sulfide, is emerging as a promising and innova...
41496181
Interface-Engineered Nanohybrid Membranes for Selective Boron Removal from Brackish Water and Seawater Reverse Osmosis Permeate.
Conventional reverse osmosis (RO) membranes have poor boron rejection at neutral pH due to the small size and neutrality of boric acid. To overcome this issue, we have developed a nanoconfined transport layer by coassembling cyclodextrin-MOF and exfoliated LDH nanosheets within the polyamide layer. Cyclodextrin-MOF off...
41495974
Functionalized Metal-Organic Frameworks Loaded with Ultra-Small Pt-Se Nanoenzymes Promote Osteoarthritis Repair via Efficient ROS Scavenging and Macrophage Polarization Modulation.
Oxidative stress, hypoxia, and chronic inflammation are key factors driving the progression of osteoarthritis (OA). Nanozymes, which exhibit catalytic activity similar to natural enzymes, is able to promote OA repair through antioxidant, hypoxia alleviation, and regulation of the inflammatory microenvironment, demonstr...
41495830
High-throughput drug screening identifies EGFR/MAPK pathway targeting sensitivities in organoid models of ovarian carcinosarcoma.
<h4>Background</h4>Ovarian carcinosarcoma (OCS) is a rare and aggressive tumour type with limited treatment options. Standard therapy includes platinum agents, but responses are poor. OCS highly express mesenchymal markers, such as N-MYC and HMGA2. The microtubule-targeting drug eribulin can reduce expression of N-MYC ...
41495166
Quantum and thermodynamic evaluation of C&lt;sub&gt;24&lt;/sub&gt; fullerene-based nanosensors for detection of mydayis in biomedical and drug detection applications.
From a public health and forensic perspective, the detection of Mydayis (a long-acting amphetamine-based drug) is crucial due to its psychotropic effects. In this work, Density Functional Theory (DFT), Time-Dependent DFT (TD-DFT), and Quantum Theory of Atoms in Molecules (QTAIM) were employed to evaluate pristine C<sub...
41495104
Fast and accurate prediction of adsorption energy of AgPd nanoalloys by deep learning potentials and neural networks.
The accurate prediction of adsorption energy plays a crucial role in the design of efficient catalysts. However, the high-throughput prediction of adsorption energies based on first-principles methods presents significant challenges, hindering the rapid acceleration of catalyst development. In this study, a dataset of ...
41495077
Dynamic decrosslinking enables self-healing, reprocessability, and upcycling in polyurethane networks.
Thermosetting polymers are widely used for their high mechanical performance and long-term structural reliability, but their permanent crosslinked networks prevent reprocessing and recycling, leading to persistent environmental challenges. Existing dynamic covalent and supramolecular strategies offer partial solutions,...
41495057
Atypical β-strand insertion mediates the noncovalent cross-linking in amyloid aggregates.
β-Strand motifs are essential recognition modules in protein-protein interactions (PPIs), which govern cellular signaling networks and regulate molecular pathway dynamics. Herein we present an unexpected discovery of a previously uncharacterized β-strand insertion mechanism termed as cross-β-strand linking, wherein β-s...
41495051
Rapid enantioselective fluorescence recognition and chiral separation of free amino acids.
Enantioselective recognition and chiral separation of amino acids hold significant importance in chemistry, materials science, and life science. Here, we report a water-soluble chiral fluorescent probe that enables visual chiral recognition and separation by incorporating a morpholinium quaternary cation into the 1,1'-...
41495052
Unlocking efficient electrocatalytic removal of trace emerging contaminants via synchronized pollutant enrichment and electron delivery.
Emerging contaminants (ECs) pose escalating global threats to water security and human health, driving urgent demands for advanced remediation; however, electrocatalytic elimination of trace ECs remains intrinsically constrained by dual limitations: diffusion of ultra-dilute pollutants and sluggish interfacial electron...
41495047
Decatungstate-photocatalyzed transfer hydrogenation of unsaturated compounds using alcohol as the hydrogen source.
We present a simple and efficient photocatalytic method for the transfer hydrogenation of unsaturated compounds using alcohol as the hydrogen source and low-cost decatungstate as the photocatalyst. Our approach operates under mild and ambient conditions and demonstrates broad substrate compatibility, including alkyl, a...
41495028
Dual Bcl-2/Bcl-xl inhibition via AZD0466 combines with immune checkpoint blockade to enhance anti-tumour activity.
Small molecule inhibitors designed to specifically target oncogenic proteins have demonstrated potent anti-tumour activities due to direct effects on tumour cells survival and/or proliferation. However, the effects of these compounds on normal cells, specifically immune cells and their potential to impede or enhance an...
41495039
Filament assembly induced by the recognition of target DNA activates the prokaryotic Argonaute SPARDA system.
The short prokaryotic Argonaute (pAgo) proteins, in conjunction with their associated effector molecules, constitute a defence mechanism in prokaryotes that protects against phage infections. The SPARDA is characterized by its collateral nuclease activity, which, upon activation through target DNA recognition, non-spec...
41495023
Stress-trained microalgae robots with probiotics backpack and intestinal brake for inflammatory bowel disease management.
Inflammatory bowel disease (IBD) involves elevated intestinal reactive oxygen species (ROS) and microbial imbalance. A key challenge is that current delivery systems cannot adequately protect active agents, such as antioxidants and probiotics, through the harsh gastric environment nor precisely deliver them to inflamed...
41494828
Hospital production of a 1% propofol-cyclodextrin formulation to address drug shortages: a proof of concept.
<h4>Objectives</h4>Drug shortages, particularly in anaesthesia, pose a risk to patient care. Propofol, a widely used anaesthetic, is formulated as an emulsion requiring a complex industrial manufacturing and pharmaceutical supply chain, making propofol vulnerable. Cyclodextrins can enhance the aqueous solubility of lip...
41494387
Enhancing ocean alkalinity and CO&lt;sub&gt;2&lt;/sub&gt; sequestration via microalgae-driven carbonate precipitation and biomimetic catalysis.
Microalgae-induced carbonate precipitation (MAICP) offers a promising approach for CO<sub>2</sub> capture and ocean alkalinity enhancement, but its efficiency in seawater is limited by the slow hydration of CO<sub>2</sub>, resulting low production of bicarbonate (HCO<sub>3</sub><sup>-</sup>), and reduces algal growth a...
41494032
Computational identification of epifriedelanol and derived analogs from Mikania cordata as potential HMG-CoA reductase inhibitors.
Hypercholesterolemia, a major risk factor for cardiovascular diseases, arises from elevated blood cholesterol levels and remains a global health concern. The limitations of current therapies underscore the need for alternative drugs from natural sources. Mikania cordata (Asteraceae) is an ethnomedicinally important spe...
41493930
Exploring Eco-Sustainability in Functionally Unconventional Magnetic Field Sensors.
Magnetic field sensors are indispensable components in modern electronics owing to their reliable, contactless operation. Over the last decades, the rapid advancement of emerging technologies (e.g., wearable devices, transparent electronics, virtual and augmented reality, soft robotics, and the Internet of Things) has ...
41493929
Multilayer Zn/Cu Oxides Derived from Zn/Cu-BDC Solvent-Exchanged by Alcohols with Different Molecular Sizes: Characterization and Photocatalytic Performance.
Multilayer oxide catalysts can be obtained from pyrolyzing pillared layered metal-organic frameworks (MOFs). However, the effects of the filling solvent in the cavities of MOFs on the resulting catalyst are ignored. Herein, five alcohols were used to exchange the original solvent of the Zn/Cu-BDC MOF, subsequently deri...
41493835
Highly Stable MOF-Packed Miniaturized Chromatographic Columns for High-Resolution Separation of Trace Acetylene.
Online acetylene (C<sub>2</sub>H<sub>2</sub>) monitoring is essential for fault diagnosis in oil-deficient electrical equipment, yet spatial constraints impose stringent demands on chromatographic miniaturization. Against this backdrop, achieving baseline separation of trace C<sub>2</sub>H<sub>2</sub> (∼10 ppmv) from s...
41493786
Integrated Boltzmann Sampling: A Few-State Approach for Efficient Multistate Free Energy Calculations.
Free energy calculations underpin a wide spectrum of tasks in computational chemistry, from scanning free energy surfaces along collective variables to ranking affinities of ligands in computer-aided drug discovery. Their routine use, however, is constrained by the high cost of sampling an extensive set of thermodynami...
41493470
Inflammation-induced LncRNA SNHG1 orchestrates spermatogonium development in non-obstructive azoospermia via IL-17 A signaling pathway.
Non-obstructive azoospermia (NOA) is a critical subtype of male infertility associated with inflammation. However, the molecular mechanisms underlying this phenomenon remain poorly understood. This study investigated the role of the inflammation-activated long non-coding RNA SNHG1 in NOA pathogenesis. Using lipopolysac...
41493399
Decoding the biogenesis of HIV-induced CPSF6 puncta and their fusion with nuclear speckles.
Viruses rely on host cellular machinery for replication. After entering the nucleus, the HIV genome accumulates in nuclear niches where it undergoes reverse transcription and integrates into neighbouring chromatin, promoting high transcription rates and new virus progeny. Despite antiretroviral treatment, viral genomes...
41493378
Zinc-Releasing Fibrous Scaffolds Modulate Fibroblast, Endothelial, and Macrophage Interactions for Vascularized Tissue Engineering.
Fibrous scaffolds are emerging as key biomaterials in regenerative medicine, which provide structural and biochemical support for tissue repair. Despite new advancements in the field, many fibrous scaffolds still face intrinsic limitations, including suboptimal biodegradability, inadequate bioactivity, and limited cont...
41493353
The Digital Chiroscope: Unlocking Blueprints from Chiroptical Spectroscopy's Black Box.
Quantum mechanical calculations are widely used to interpret experimental data in chemical and biochemical research, supported by user-friendly software and powerful computing resources. Their broad adoption, including by nonexperts, can lead to overinterpretation when calculations fail to achieve the required structur...
41493333
MOF-Powered MicroRNA Catch for Ultrasensitive Breast-Cancer Screening.
MicroRNAs (miRNAs) are key regulators of disease-associated signaling pathways and serve as critical biomarkers for cancer. However, their accurate and reliable quantification in complex biofluids such as serum remains challenging because of their ultralow abundance and matrix interference, which severely limit their c...
41493269
Stimuli-Responsive Nanozyme Reprograms Tumor Immunometabolism and Overcomes Therapeutic Resistance in Hepatocellular Carcinoma.
Hepatocellular carcinoma (HCC) exhibits profound glycolytic reprogramming that drives tumor growth, impairs apoptosis, and suppresses immune responses, leading to resistance against conventional therapies. To overcome this challenge, we developed a stimuli-responsive nanozyme composed of a pH-sensitive lipid-gelatin-pr...
41493077
Waste-to-MOF: Upcycling of Waste Polyimide Into Europium-Based Metal-Organic Framework as Efficient Fluorescence Sensor of Biogenic Amines.
The fluorescence sensing method based on lanthanide metal-organic frameworks (Ln-MOFs) offers high sensitivity, selectivity, and rapid, real-time detection of biogenic amines (BAs). However, their high cost, complex synthesis, and unclear sensing mechanism limit practical application. Herein, waste polyimide is utilize...
41493012
Stereoselective Generalizations over Diverse Sets of Chiral Acids Enabled by Buried Volume.
Stereoselective catalysis is a paradigm of complexity, navigating arrays of specific, yet weak, noncovalent interactions to achieve asymmetric induction. Accordingly, structure-activity relationships modeling stereoselectivity have required bespoke representations, high dimensionality, and/or large data sets to furnish...
41492962
Rice stripe virus utilizes a &lt;i&gt;Laodelphax striatellus&lt;/i&gt; salivary carbonic anhydrase to facilitate plant infection by direct molecular interaction.
Plant viruses typically rely on insect vectors for transmission between plants, with insect salivary proteins playing critical roles in this process. In this study, we demonstrate how <i>Laodelphax striatellus</i> salivary carbonic anhydrase (LssaCA) promotes rice stripe virus (RSV) infection in plants. We discovered t...
41492796
Co-Refolding of Pea Protein and C-Phycocyanin for Multifunctional Hydrocolloids at pH 5.
Pea proteins exhibit a low net charge near their isoelectric point (∼5), limiting their solubility and functionality. To address this limitation, we explored a pH-driven co-refolding method using C-phycocyanin, a highly hydrophilic protein that undergoes pH-dependent disassembly and reassembly. This process facilitated...
41491829
Low-energy glycine formation and spectral masking in star-forming regions.
The presence of amino acids in comets and meteorites has long suggested that prebiotic molecules may have formed in space and contributed to the origins of life on Earth. Glycine, the simplest amino acid, has been identified in several extraterrestrial environments, although its detection in the interstellar medium, in...
41491724
Construction of lanthanide ion MOF/HOF composite for the simultaneous identification of serum glycopeptides and phosphopeptides from type 2 diabetes.
The direct determination of glycopeptides and phosphopeptides in type 2 diabetes (T2D) samples is challenging due to their low abundance and the complexity of the sample matrix. To address this, we present a novel strategy by weaving organic linkers into a hydrogen-bonded organic framework (HOF), which is subsequently ...
41491710
Solvent dependent bioactivity and spectroscopic characterization of neovestitol from Nigerian propolis using experimental and computational methods.
In this study, Neovestitol (NVT) isolated from Imo propolis was characterized, revealing its chemical structure and confirming its identity through nuclear magnetic resonance (NMR) analysis, which revealed two aromatic rings and a pyran ring, as confirmed by 2D NMR. The compound exhibited significant antimicrobial acti...
41491532
Ningxiang pig-derived Enterococcus hirae protects against E. coli-induced gut dysbiosis and inflammation via acetate/propionate-MyD88-NF-κB axis in piglets.
<h4>Background</h4>Intestinal inflammation, often driven by microbial dysbiosis and infections, remains a significant health challenge with limited effective treatments. Identifying probiotic strains with anti-inflammatory properties and elucidating their mechanisms is essential for developing novel therapeutic strateg...
41491432
Rational Electrolyte Structure Engineering for Highly Reversible Zinc Metal Anode in Aqueous Batteries.
Aqueous zinc-ion batteries (AZIBs) have garnered considerable attention as promising post-lithium energy storage technologies owing to their intrinsic safety, cost-effectiveness, and competitive gravimetric energy density. However, their practical commercialization is hindered by critical challenges on the anode side, ...
41355733
Cubic aromaticity in octahedral NbTcAu&lt;sub&gt;4&lt;/sub&gt; featuring a stable Nb-Tc quadruple bond plus four additional delocalized interactions.
The formation of metal-metal (M-M') multiple bonds facilitated by the partially filled d-orbitals and versatile valence electron configurations of transition metals underscores their distinct electronic regulatory capabilities. However, heteronuclear bimetallic systems encounter greater challenges in achieving stable m...
41351586
Integration of sequential chemical state transformations in bifunctional copper-based metal-organic frameworks for self-powered photocatalytic reaction systems.
The programming and exploitation of molecular materials with the combination of simultaneous dual/multiple chemical and physical performances is a promising strategy but is only in the initial stages of development. In this work, a controllable and feasible method was proposed, involving the integration of isomorphic c...
41351562
Cucurbit[8]uril-guest-metal ion self-assemblies as fluorescence sensor arrays for discrimination and detection of physiological phosphates.
In this study, a ThT@Q[8] host-guest complex was obtained <i>via</i> an interaction between cucurbit[8]uril (Q[8]) as the host and thioflavin T (ThT) as the guest. Then, ThT@Q[8]-Fe<sup>3+</sup> and ThT@Q[8]-Hg<sup>2+</sup> fluorescent probes were constructed based on metal ion stimuli-responsive supramolecular interac...
41347488
Canonical Zn-Zn pseudo-triple bond with double aromaticity in &lt;i&gt;D&lt;/i&gt;&lt;sub&gt;5h&lt;/sub&gt;-Zn&lt;sub&gt;2&lt;/sub&gt;Na&lt;sub&gt;5&lt;/sub&gt;&lt;sup&gt;-&lt;/sup&gt; cluster.
In transition metals, the formation of intermetallic multiple bonds typically depends on d-orbital coupling. However, zinc, with its fully occupied 3d electron shell, struggles to form multiple bonds <i>via</i> this pathway, rendering Zn-Zn triple bonds exceptionally rare. Here, we propose, in theory, an all-metal glob...
41327553
Interlayer bismuthene as a charge-transporter improves the photoelectrochemical water oxidation activity of a bismuth vanadate metal-organic framework.
The introduction of bismuthene as a charge transport layer between BiVO<sub>4</sub> and a cocatalyst (Ni-metal-organic framework, Ni-MOF) improves the photoelectrochemical water oxidation activity. The photoanode BiVO<sub>4</sub>/Bi/Ni-MOF produces a photocurrent of 4.71 (±0.2) mA cm<sup>-2</sup> (at 1.23 V <i>vs.</i> ...
41321226
One-pot synthesis of novel triazine/piperazine-based macrocycles and investigation of their porous properties.
Four macrocycles with the penta-triazine and penta-piperazine scaffold were efficiently synthesized <i>via</i> self-cyclization in 15-23% yields; the synthesized macrocycles were assumed to have crown-shaped conformations by NMR spectroscopy and computational simulations and contain void spaces in the bulky state by CO...
41321221
Anion-mediated regulation of open metal sites in metal-organic framework materials or high-performance solid-state electrolytes.
In this study, a Cu-MOF was successfully synthesized, and the coordination behavior between its open metal sites (OMSs) and various anions was systematically investigated. It was determined that the NO<sub>3</sub><sup>-</sup> anion exhibits the most effective coordination with the Cu<sup>2+</sup> sites. This optimal in...
41321212
Backbone nitrogen substitution restricts the conformation of glycine residues in β-turns.
Glycine adopts backbone conformations that are generally inaccessible to other amino acids, but specifying a particular conformation remains challenging. Inspired by studies of small-molecule models, we hypothesized that substituting the alpha carbon with nitrogen would bias glycine toward specific β-turn conformations...
41313233
Synergistic effect of trimetallic selenides (Co, Fe, Ni)Se&lt;sub&gt;2&lt;/sub&gt;/NF for enhanced electrocatalytic oxygen evolution reaction and urea oxidation reaction.
A trimetallic selenide electrocatalyst (Co, Fe, Ni)Se<sub>2</sub> supported on nickel foam (NF) has been successfully synthesized for the oxygen evolution reaction (OER) and urea oxidation reaction (UOR). The catalyst was fabricated through a two-step strategy involving the formation of metal-organic framework (MOF) pr...
41311348
Mononuclear Fe&lt;sup&gt;II&lt;/sup&gt; and heterobinuclear Fe&lt;sup&gt;II&lt;/sup&gt;Ni&lt;sup&gt;II&lt;/sup&gt; thiolate complexes derived from a compartmental hexaazadithiophenolato ligand: synthesis, structure and properties.
Compartmental macrocycles have proven to be very successful for the synthesis of heterobinuclear transition metal complexes. We obtained a mixed-ligand FeNi thiolate complex, [FeNiL(µ-OAc)]ClO<sub>4</sub> (3), where L<sup>2-</sup> represents a 24-membered hexaaza-dithiophenolato ligand, by metalation of either the mono...
41311109
Engineering hierarchical porous carbon-supported Fe-doped cobalt phosphides from MOF templates for alkaline water oxidation.
A MOF-on-MOF strategy is utilized to synthesize Fe-doped cobalt phosphide nanoparticles within a porous N-doped carbon matrix (S-CoFeP). Detailed characterization confirms the successful formation of Co<sub>2</sub>P as the primary phase, with Fe incorporated as a beneficial dopant. S-CoFeP exhibits exceptional OER perf...
41311048
Metal-organic-framework-derived Fe/Sn bimetallic electrocatalyst for efficient oxygen reduction reaction in rechargeable zinc-air batteries.
Herein, Fe/Sn-NC was synthesized from a derivative of ZIF-8 <i>via</i> thermal treatment, exhibiting optimal ORR performance and highly improved power density and cyclical stability in a zinc-air battery. This work provides new ideas for promoting the progress of clean energy technology.
41307479
Crown ether-based interface modification for inverted perovskite solar cells with enhanced efficiency and stability.
A crown ether named dibenzo-18-crown-6 is introduced to modify the interface between the perovskite and the electron transport layers. Due to its unique electron cavity and electron-rich system, it effectively passivates defects and simultaneously suppresses cation migration, thereby achieving a high power conversion e...
41292491
Ethane-selective metal-organic frameworks for one-step purification of ethylene.
Ethylene/ethane separations remain among the most energy-intensive operations in the petrochemical value chain, owing to their close molecular sizes, polarizabilities, and volatilities. While cryogenic distillation is industrially entrenched, adsorption-based processes promise substantial energy savings and simpler flo...
41288532
Isomorphous metal 1,3,5-benzenetriphosphonates MBP-1 with variable compositions: preparation, crystal structure, and electrochemical properties.
A series of isomorphous compounds obtained from 1,3,5-benzenetriphosphonic acid (BTP or H<sub>6</sub>btp) and various divalent metal cations, designated as MBP-1 (M = Mn, Zn, Cd, Mg, Ni, Co, and Ca), proved to have non-stoichiometric compositions. The crystal structure of MBP-1 determined by using high-resolution powde...
41288517
Enhanced pseudocapacitive performance of a Pb-based MOF/FCNT composite for high-stability supercapacitor applications: a step ahead towards energy storage.
As society moves towards a low-carbon future, the global emphasis on efficient and sustainable energy storage platforms increases and has intensified the search for advanced electrode materials that offer high capacitance, fast charge-discharge capability, and long-term cycling stability. However, most conventional mat...
41285003
Mechanobiological regulation of T cells &lt;i&gt;via&lt;/i&gt; transient viscoelastic microfluidic confinement.
T cell migration through confined spaces, such as venular blood vessel walls or tumor tissues, is crucial for delivering immune effectors to sites of infection or disease. While mechanical confinement has been shown to trigger signaling pathways in T cells, the effects of transient (millisecond) mechanical confinement ...
41277419
Mechanically interlocked porphyrinoids: self-assembly of metal-stabilised catenaphyrins.
Metal-stabilised catenanes comprising two porphyrinoid-like macrocycles were obtained <i>via</i> the self-assembly of bipyrrole and dipyrromethane dialdehydes with bipyridyl-based diamine in the presence of a metal template. Reported architectures exhibited conformational flexibility and distinct photophysical properti...
41263600
MOF/COF-integrated strategies for aqueous zinc batteries: recent progress, modification approaches, and future guidelines.
Aqueous zinc-ion batteries (AZIBs) are promising for energy storage, yet challenges like dendrite growth, corrosion, and low coulombic efficiency (CE) hinder their practicality. Metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) have emerged as versatile materials to address these issues due to thei...
41251512
Enhancement of volumetric adsorption capacities on a 2D layered MOF by controlling crystal morphology.
By investigation of synthetic conditions of Zr-MOF, the morphology of the MOF was controlled to be hexagonal-shaped plates with high uniformity. The hexagonal-shaped platelet crystals of the MOF showed an apparent high packing density, leading to an enhanced volumetric adsorption capacity.
41190921
Enabling global access to potent subunit vaccines with a simple and scalable injectable hydrogel platform.
Vaccines have been crucial to dramatic improvements in global health in recent decades, yet next-generation vaccine technologies remain out of reach for much of the world. In particular, there are two overarching global needs: (i) develop vaccines eliciting more potent and durable immune responses, especially to reduce...
41727364
Harnessing New Tools for Old Challenges: Optimising Neat Plasma Proteomics with Automation and Gas-Phase Fractionation.
Advances in high-throughput mass spectrometry have shifted the bottleneck in plasma proteomics from data acquisition to sample preparation. While enrichment and depletion strategies enable detection of low-abundance proteins, their complexity and cost limit scalability and clinical translation. Targeting midto-high abu...
41693844
Solvent-Tuned Aggregation and Its Limited Functional Impact in a Rigid-Rod Indacenodithiophene-Benzothiadiazole Copolymer.
We investigate the influence of solvent quality on solution-state aggregation and solid-state morphology in a rigid indacenodithiophene-based donor-acceptor copolymer, PIDTC16-BT. Using UV-vis spectroscopy and temperature-dependent small-angle X-ray scattering (SAXS), we characterize aggregation behavior across three s...
41647442
Inhibitors of type II NADH-dehydrogenase, cytochrome bd oxidase, and ATP synthase for anti-tubercular response.
The identification of novel anti-tubercular agents capable of eliciting lethal responses against drug-resistant tuberculosis is critically needed to address the escalating mortality from tuberculosis. <i>Mycobacterium tuberculosis</i>, the etiological agent of this disease, employs a highly efficient energy-producing m...
41624532
A multifunctional and ROS response CO-gas delivery platform for spinal cord regeneration.
Spinal cord injury (SCI) initiates a cascade of pathological events in which neuroinflammation and hypoxia critically impair functional recovery. Although exogenous carbon monoxide (CO) exhibits anti-inflammatory potential, its translation has been hindered by the lack of a safe and effective delivery strategy. Here, w...
41614893
Recent Advances in Oral Drug Delivery Systems for BCS III Drugs.
Oral drugs classified under Class III of the Biopharmaceutics Classification System (BCS) are defined by high aqueous solubility yet low intestinal permeability. Their restricted oral bioavailability arises not from inadequate dissolution, but is primarily governed by the intestinal permeability barrier, coupled with s...