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41939414
Interactions of Cyclic Peptides Ribifolin and Gramicidin S with Montmorillonite Surface by Molecular Modeling.
Cyclic peptides are characterized by remarkable structural stability and considerable therapeutic potential, but their clinical application is often limited by enzymatic degradation, especially in oral administration. Recent approaches, including the design of small cyclic peptides and clay-based delivery systems, aim ...
41939356
Review of Emerging Strategies and Progress in Transition Metal-Modified Activated Carbons for Hazardous Gas Elimination.
Hazardous gas emissions, including volatile organic compounds (VOCs), nitrogen oxides (NO <sub><i>x</i></sub> ), sulfur dioxide (SO<sub>2</sub>), elemental mercury (Hg<sup>0</sup>), carbon dioxide (CO<sub>2</sub>), and chemical warfare agents (CWAs), pose severe threats to human health and the environment, driving the ...
41939332
A Simple One-Pot Synthesis of a Sulfonated Carbon/Silica Composite Catalyst from Low Value Molasses for 5‑HMF Production.
Sulfonated silica-carbon composite catalysts (SSC) were synthesized from molasses and K60 silica gel in a one-pot method that simultaneously carbonized and sulfonated the composite. SSC prepared with 12 M sulfuric acid (SSC-12M) demonstrated a fructose to 5-hydroxymethylfurfural (5-HMF) conversion of 83.0% and a yield ...
41939321
Retraction of "Transition Metal-Decorated B&lt;sub&gt;12&lt;/sub&gt;N&lt;sub&gt;12&lt;/sub&gt;-X (X = Au, Cu, Ni, Os, Pt, and Zn) Nanoclusters as Biosensors for Carboplatin".
[This retracts the article DOI: 10.1021/acsomega.2c07250.].
41938978
Research progress on clinical challenges and prevention strategies of drug-resistant &lt;i&gt;Nocardia&lt;/i&gt; infections.
Drug-resistant <i>Nocardia</i> infections have become an increasingly intractable clinical challenge globally, with the incidence rising steadily among both immunocompromised and immunocompetent populations in recent decades. The clinical management of drug-resistant Nocardia infections is hindered by distinct regional...
41938865
Polydatin as a natural ClpP modulator for combating methicillin-resistant &lt;i&gt;Staphylococcus aureus&lt;/i&gt; infection.
<h4>Introduction</h4>Methicillin resistant <i>Staphylococcus aureus</i>, MRSA, is a major cause of hospital acquired infections and poses a serious therapeutic challenge because of multidrug resistance and potent virulence. Targeting virulence rather than bacterial growth may provide an alternative strategy to combat M...
41938765
Development of a ferritin-based subunit nanoparticle vaccine targeting the S-RBD of porcine transmissible gastroenteritis virus.
Porcine transmissible gastroenteritis virus (TGEV) remains a critical economic threat to the global swine industry due to its near 100% mortality rate in newborn piglets within 5 days of age; however, current vaccine strategies, such as attenuated vaccines, are often limited by biosafety concerns, whereas traditional i...
41938532
Bridging metabolic reprogramming and targeted therapy: the critical role of S-palmitoylation in cancer.
Metabolic reprogramming provides cancer cells with excess fatty acids (FA) to adapt to metabolic stress; however, the precise mechanisms by which these lipid substrates are converted into sustained oncogenic signaling outputs remain incompletely elucidated. This article highlights S-palmitoylation, a reversible post-tr...
41938530
Comparing the expression patterns and differences of LOX and LOXL1 during the development of myodural bridge and ligamentum flavum.
The ligamentum flavum (LF) is a passive stabilizing tissue that connects two adjacent vertebral arches and contributes to the enclosure the spinal canal, thereby closing the entire canal posteriorly. However, a gap exists at the posterior atlanto-occipital and atlanto-axial interspaces, where the LF is absent and repla...
41938135
Intelligent design and application of molecular recognition hydrogels in tissue engineering.
Molecular recognition hydrogels are functional materials that form three-dimensional network structures through molecular-specific binding, such as antigen-antibody and ligand-receptor interactions. They exhibit excellent biocompatibility, tunable mechanical properties, and dynamic responsiveness. Furthermore, these hy...
41938130
CRISPR-based electrochemiluminescence biosensors: Principles, optimization strategies, and translational challenges - A review of recent progress.
The integration of CRISPR/Cas systems with electrochemiluminescence (ECL) has emerged as a promising strategy for constructing high-performance biosensing platforms. CRISPR systems, particularly Cas12a and Cas13a, offer programmable recognition of nucleic acid targets and activatable trans-cleavage activity. ECL provid...
41938063
Plant-derived extracellular vesicles in skin and bone tissue engineering: current status, challenges, and future perspectives.
Plant-derived extracellular vesicles (PDEVs) are bioactive nanoscale vesicles secreted by plant cells, which have recently gained attention as promising therapeutic agents in tissue engineering owing to their low immunogenicity, inherent biological activities, and potential as drug delivery vehicles. This review compre...
41930342
Extracellular and Membrane Protein: Structure, Biological Functions, Diseases, and an Emerging Modality for Drug Discovery.
Extracellular and membrane proteins serve important roles. They manage cellular communication, structure support, and immune defense. When they malfunction, it cause many diseases like cancer, neurodegeneration, and cardiovascular disorders. Targeted protein degradation (TPD) is a promising therapeutic strategy and aim...
41918710
Modern synthetic pathways towards eribulin and its subunits.
Eribulin is a synthetic analog of halichondrin B, a natural product derived from marine sponges, and has gained significant importance in oncology (as its commercial mesylate salt, Halaven) due to its unique mechanism of action as a microtubule dynamics inhibitor. It is primarily used in the treatment of metastatic bre...
41909512
Adaptable sliding hydrogels enable pericellular pocket formation while enhancing MSC chondrogenesis and survival in 3D.
Hydrogels that recapitulate the dynamic mechanical cues of native extracellular matrix are powerful tools that can be leveraged for tissue engineering. Despite growing recognition that cues such as stress relaxation and plasticity modulate cell-matrix interactions, the influence of these properties on mesenchymal strom...
41903470
Mechanistic DFT insights into the formation of high valent non-heme iron-oxo oxidants: Identifying the active oxidant for the epoxidation of alkene.
Iron-oxo intermediates play an important role in both enzymatic and synthetic oxidation catalysis. Synthetic non heme iron-oxo species have also the capability to promote chemo- and enantioselective oxidations that closely resemble enzymatic processes. In this context, the [(PDP)Fe(II)(CF<sub>3</sub>SO<sub>3</sub>)<sub...
41902097
From Biomarkers to Biosensors: Transforming Comorbidity Management in Dialysis Care.
Patients receiving dialysis treatments suffer from a high rate of systemic comorbid conditions, including cardiovascular disease, mineral and bone disorders, chronic inflammation, amyloidosis, and recurring infections, leading to increased morbidity and mortality rates despite the progress made in the field of renal re...
41902102
On the Use of Laser-Induced Graphene (LIG) in the Development of Chemoresistive Gas Sensors.
In recent years, two-dimensional (2D) materials have attracted growing attention for their application in chemoresistive gas sensors. Among these materials, graphene stands out due to its exceptional electrical, mechanical, and chemical properties. A simple and low-cost method for producing graphene involves the use of...
41901885
Hybrid Nanocomposites Based on Poly(2,5-dichloro-3,6-bis(phenylamino)-p-benzoquinone) and MWCNTs: Synthesis, Structure, and the Role of ZnO.
For the first time, hybrid nanocomposites based on poly(2,5-dichloro-3,6-bis(phenylamino)-p-benzoquinone) (PCPAB) and multi-walled carbon nanotubes (MWCNTs) were obtained and the influence of the preparation method on their structure and functional properties was demonstrated. The nanocomposites were obtained both by u...
41901875
Chitosan-Entrapped TiO&lt;sub&gt;2&lt;/sub&gt; Nanoparticles Synthesized Using &lt;i&gt;Calendula officinalis&lt;/i&gt; Flower Extract-Photophysical Characterization, Biocompatibility, and Textile Dye Remediation.
Effluents from industries, manufacturing companies, textile looms, and floodwater contaminate the surface water reservoirs. This endangers the quality of water for use by humans. Wastewater remediation is one of the ways to recycle the dirty water and make it suitable for use. Photocatalysis is the most common method f...
41901456
Epigenetic Regulation of Root-Associated Microbiota: Mechanisms and Horticultural Applications.
The dynamic interaction between plants and their root-associated microbiota represents a sophisticated and profound biological communication that regulates plant development and the formation of adaptation to the surrounding environment. These interactions function as critical regulators of multiple physiological proce...
41901159
Optimizing Perioperative Nutrition in Elective Gastrointestinal Surgery: An ERAS-Focused Narrative Review.
<b>Background/Objectives:</b> Perioperative malnutrition, sarcopenia, and reduced functional reserve are frequent in adults undergoing elective gastrointestinal (GI) surgery and are associated with higher postoperative morbidity and delayed recovery. Enhanced Recovery After Surgery (ERAS) pathways incorporate nutrition...
41901028
Smart Drug-Delivery Approaches for Enhanced Management of Comorbid Conditions in Alzheimer's Disease.
Alzheimer's disease (AD) remains a major unmet medical challenge due to its complex pathology, high interpatient heterogeneity and frequent association with systemic comorbidities. Conventional pharmacotherapy is limited by poor blood-brain barrier permeability, off-target effects and reduced efficacy in polymedicated ...
41901025
Diagonal Earlobe Crease and the Risk of New-Onset Atrial Fibrillation After Cavotricuspid Isthmus Ablation in Patients with Typical Atrial Flutter.
<b>B</b><b>ackground:</b> Atrial fibrillation (AF) frequently develops in patients with atrial flutter (AFL), even after successful cavotricuspid isthmus (CTI) ablation. Identifying simple clinical markers for early detection is crucial. Diagonal earlobe crease (ELC), also known as Frank's sign, has been proposed as a ...
41900711
Multi-Metal Alloys as Catalysts for Fenton-like Oxidation: A Review.
The persistent discharge of refractory toxic organic pollutants poses a severe threat to aquatic environmental safety, driving the urgent demand for high-efficiency water treatment technologies in environmental engineering. Fenton and Fenton-like oxidation processes have garnered extensive attention due to their robust...
41900702
Comparative Wear Evaluation of Pure Zn, Zn-Mg and Zn-Mg-Y Alloys Using Mass Loss Measurements and Optical Profilometry.
The present study investigates the dry sliding wear behaviour of pure Zn, Zn-3Mg, and Zn-3Mg-0.5Y biodegradable alloys using mass loss measurements, friction torque monitoring on an Amsler tribometer, and optical profilometry of wear tracks. The microstructure of the Zn-Mg-Y alloy exhibited an α-Zn matrix comprising Zn...
41900697
A Reusable SERS Substrate with Internal Standard for the Detection of N-Butylamine Gas.
Surface-enhanced Raman scattering (SERS) has become an effective and sensitive analysis tool for the detection of various molecules. Nevertheless, it is a challenge to fabricate reusable SERS substrates for detecting gaseous molecules. Here, a self-calibrated and reusable SERS substrate has been developed for the quant...
41900255
Smart Biodegradable Nanosystems with Auxetic Metamaterial Shells and Thermosensitive Dynamic Covalent Bonds: Ultra-Slow Controlled Release and Theoretically Minimized Leakage.
Precise drug delivery remains a critical challenge in nanomedicine, with conventional nanocarriers suffering from significant drug leakage during circulation, limited control over release kinetics, and a lack of temporal control. This study presents a computational design and multiphysics simulation of a Smart Biodegra...
41900130
Nanoparticle-Catalysed Microwave-Driven MCRs for Sustainable Heterocycle Synthesis.
Nanoparticle-catalysed microwave-aided multicomponent reactions (MCRs) have been demonstrated to be competent and environmentally benign tools for the quick synthesis of a wide spectrum of fused heterocyclic systems. The distinctive physicochemical properties of nanoparticles, including a substantial surface area, read...
41900126
Fabrication of Fluorinated Magnetic Covalent Organic Frameworks for the Extraction of Fluoroquinolone Residues Coupled with HPLC Detection.
Fluoroquinolones (FQs) are a kind of antibiotics, which are widely used in animal husbandry and aquaculture. However, the abuse of FQs can result in residues in foodstuffs of animal origin. Therefore, it is essential to establish a sensitive and accurate detection method for determination of FQs in food samples. An eff...
41900128
Room-Temperature Air-Only Catalytic Oxidation of Indoor Volatile Organic Compounds: Mechanistic Insights and Emerging Catalysts.
Driven by global urbanization and increasing emphasis on sustainable building practices, indoor volatile organic compounds (VOCs) have emerged as a major environmental and health challenge. This review specifically focuses on room-temperature air-only catalytic oxidation of representative indoor VOCs under a recently m...
41898999
Mitogenomic Insight into the Population Genetic Diversity and Phylogeography of Soybean Stink Bug (&lt;i&gt;Riptortus pedestris&lt;/i&gt;) in China.
<i>Riptortus pedestris</i> (Hemiptera, Alydidae) is widely distributed across East Asia, where significant genetic differentiation may occur among geographic populations. To understand the genetic structure, historical dynamics, and formation of geographic distribution patterns in China, we conducted a phylogeographic ...
41898659
The Complex of Copper (II) and Zoledronic Acid: Relevance to Oxidative Death of Leukemia Cells in the Bone Marrow.
Copper-organic compounds are being investigated as antitumor candidates. Besides their efficacy as cytotoxic agents alone, the oxidative potential of electrochemical Cu<sup>2+</sup>-to-Cu<sup>1+</sup> transition emerges as an attractive approach for elimination of tumor cells otherwise resistant to chemotherapy. To min...
41898647
The Impact of Genetic Factors in Ménière's Disease.
Ménière's disease is an idiopathic disorder of the inner ear whose causes and pathogenetic mechanisms remain insufficiently elucidated. Advances in genetic analysis technologies have shifted attention toward the role of hereditary components in Ménière's disease, generating a considerable number of studies investigatin...
41898354
Advances in Bone-on-a-Chips for In Vitro Modeling of Bone Physiology and Pathology.
Bone is a dynamic and multifunctional tissue that provides mechanical support, regulates mineral homeostasis, supports hematopoiesis, and relies on complex interactions among multiple cell types. The increasing incidence of bone-related diseases, such as osteoporosis, osteoarthritis, fracture non-union, and bone cancer...
41897802
Dual-Phase Immunomodulation by the Bovine β-Casein Peptide KEMPFPK: Insights into Potential TLR Interaction and Gut Microbiota-Mediated Effects.
This study investigates the immunomodulatory effects and underlying mechanisms of KEMPFPK, a peptide derived from bovine β-casein, using integrated in vitro, in silico, and in vivo approaches. In RAW264.7 macrophages, KEMPFPK enhanced proliferation, phagocytosis, and migration and selectively upregulated the chemokine ...
41897401
Gintonin as a Lysophosphatidic Acid-Enriched GPCR Ligand System: Molecular Architecture and Receptor Pharmacology in &lt;i&gt;Panax ginseng&lt;/i&gt;.
For decades, the pharmacological identity of <i>Panax ginseng</i> has been primarily attributed to triterpenoid saponins known as ginsenosides. However, accumulating evidence indicates that ginseng also contains a structurally distinct lipid-protein complex, termed gintonin, enriched in lysophosphatidic acid (LPA) spec...
41894874
Thermo-regenerable azacrown ether MOF materials for enhanced selective removal of Na&lt;sup&gt;+&lt;/sup&gt; over K&lt;sup&gt;+&lt;/sup&gt; in water.
The efficient separation of Na<sup>+</sup> and K<sup>+</sup> in water is essential for addressing challenges such as high-salinity water treatment and resource recovery. Biological ion channels play a crucial role in separating Na<sup>+</sup> and K<sup>+</sup>. Current biomimetic channels successfully separate monovale...
41893209
Amino-Modified Mesoporous Bioactive Glass Adsorbed with Osteopontin Enhances Osteogenic Differentiation and Matrix Mineralization via the Erk1/2 Signaling Pathway.
Mesoporous bioactive glass (MBG) has been extensively studied in bone regeneration due to its excellent bioactivity and osteoconductive properties. Here, we prepared amino-modified MBG (MBG-NH<sub>2</sub>) adsorbed osteopontin (OPN) to form MBG-NH<sub>2</sub>/OPN composites, enabling the sustained release of OPN and en...
41893208
Green Palladium Nanoparticles: Mechanism of Synthesis and Biomedical Application.
Green synthesis of nanoparticles has become one of the most popular research areas in recent decades due to its environmentally friendly nature and the minimization of harmful chemical by-products. This review focuses on the mechanism of palladium nanoparticle (PdNP) biosynthesis using bacteria, fungi, algae, and plant...
41892972
Life with Boron: Steroid Architecture and the Chemistry of Marine Boronosteroids.
Marine invertebrates produce a remarkable diversity of polyhydroxylated steroids and secosteroids whose structural features-particularly vicinal (1,2-)diols, 1,3-diols, and clustered hydroxyl arrays-make them well suited for coordination with boron species. In the marine environment, where boron is abundant, chemically...
41892579
Combined Stromal Vascular Fraction and HGF-Functionalized Self-Assembling Peptide Hydrogel Improves Intracerebral Hemorrhage Repair in Rats.
Intracerebral hemorrhage (ICH) remains a devastating condition with no available therapies that can effectively mitigate secondary injury and promote neurological repair. This research presents a novel combinatorial regenerative strategy, concurrently delivering adipose-derived stromal vascular fraction (SVF) within an...
41890655
SmartLipids in Drug Delivery: Redefining the Third Generation of Lipid Nanocarriers for Clinical and Industrial Translation.
SmartLipids represent the third generation of lipid-based nanocarriers, emerging as a transformative innovation in modern drug delivery and formulation science. Evolving from solid lipid nanoparticles (SLNs) and nanostructured lipid carriers (NLCs), SmartLipids overcome key limitations such as low drug loading, polymor...
41881855
Dual plasma engineering of NiCoO&lt;sub&gt;x&lt;/sub&gt; on defect-rich, nitrogen-doped, rambutan-like carbon for high-performance zinc-air batteries.
A dual-plasma engineering strategy is proposed to improve the inherent bifunctional oxygen electrocatalysis in zinc-air batteries (ZABs). Here, metal-organic framework (MOF)-derived rambutan-like (RL) carbon composites are first treated with N<sub>2</sub> radio-frequency (RF) plasma to introduce abundant defects and ni...
41878122
Nanotechnology-Based Treatment for Ophthalmic Diseases.
Eye diseases are a major global public health issue causing vision impairment and blindness. The eye's physiological barriers limit traditional drug delivery methods, resulting in low bioavailability, high risks, and poor patient compliance. Nanotechnology offers a revolutionary solution that can enhance the abilities ...
41877910
Pathogenic Characteristics and Molecular Epidemiological Analysis of &lt;i&gt;Klebsiella pneumoniae&lt;/i&gt; in Clinical Urinary Tract Infections in Beijing, China.
<h4>Introduction</h4><i>Klebsiella pneumoniae</i> (KP), a Gram-negative bacterium of the Enterobacteriaceae family, is a major opportunistic pathogen responsible for severe infections, particularly urinary tract infections (UTIs). The increasing incidence of KP infections poses a significant challenge to global healthc...
41873425
Biomaterials in personalized drug delivery: innovations, challenges, and future directions.
The growing global demand for effective and safe therapeutics has accelerated advances in biomaterials for drug delivery applications. Biomaterials, including polymers, metals, ceramics, and composites, play a central role in modern medical devices and therapeutic systems by enabling controlled interactions with biolog...
41868352
Transformation of 3-(4-methoxybenzylidine)-5-(&lt;i&gt;p&lt;/i&gt;-tolyl)-2(3&lt;i&gt;H&lt;/i&gt;)-furanone into new nitrogen heterocyclic candidates as insecticidal agents with &lt;i&gt;in silico&lt;/i&gt; studies.
A series of new nitrogen-containing heterocyclic compounds derived from a 2(3<i>H</i>)-furanone precursor was synthesized <i>via</i> reactions with mono- and bidentate nucleophiles, affording pyrrolone, benzoxazinone, quinazolinone, and pyridazine frameworks. The synthesized candidates were characterized spectroscopica...
41868324
Ni-Fe bimetallic carbon nanotube catalysts derived from a two-dimensional metalloporphyrin Fe-MOF precursor for oxygen reduction and oxygen evolution reactions.
Oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) are critical half-reactions in energy conversion devices such as metal-air batteries and reversible fuel cells, and their sluggish kinetics severely limit the overall device performance. Therefore, the development of efficient, stable, and low-cost non...
41868319
MWCNT-Au/Pt-modified screen-printed electrode for electrochemical detection of secondary metabolites in &lt;i&gt;Ganoderma&lt;/i&gt;-infected oil palms.
<i>Ganoderma boninense</i> infection affects nearly half of Indonesia's palm oil plantations, which leads to severe economic losses. Conventional detection methods like PCR are limited by cost and complexity, while electrochemical detection offers a promising alternative by targeting plant-derived metabolites. This stu...
41868318
A green tandem cyclization approach to substituted 2-aminothiazoles &lt;i&gt;via&lt;/i&gt; molecular sieve/I&lt;sub&gt;2&lt;/sub&gt; catalysis: DFT, molecular dockings, and pharmacokinetic profiles.
In an effort to promote eco-friendly organic synthesis, a facile, sustainable, and highly efficient procedure for the synthesis of 2-amino-1,3-thiazole derivatives was developed. The protocol of this process incorporates the principles of green chemistry. Moreover, the NMR, FT-IR, and UV simulations of the compounds we...
41868313
Theoretical insights of silicene doped with transition metals as C - reactive protein biosensors for cardiac vascular applications using density functional theory.
Early and accurate detection of C-reactive protein (CRP), a key biomarker for inflammation and cardiovascular conditions, remains a critical need in medical diagnostics. In this study, we employ density functional theory calculations using the B3LYP functional in Gaussian 16 to explore the CRP sensing potential of sili...
41868166
Retraction: Supramolecular engineering cascade regulates NIR-II J-aggregates to improve photodynamic therapy.
[This retracts the article DOI: 10.1039/D4SC03020F.].
41864581
Fine-tuned phenylboronic acid polymer assembly with tannic acid enables adeno-associated virus to evade and suppress neutralizing antibody responses.
Adeno-associated virus (AAV) has emerged as a promising vector for gene therapy; however, its therapeutic efficacy is often limited by pre-existing and treatment-induced neutralizing antibodies (NAbs). To address this challenge, we developed an AAV-loaded ternary complex through the sequential assembly of AAV, tannic a...
41864388
Synthesis of functionalized chitosan hydrogels for pH-responsive drug delivery.
Hydrogels based on chitosan (CS) are promising platforms for drug delivery due to their biocompatibility and versatility. However, their inherent hydrophilicity limits the encapsulation and sustained release of poorly water-soluble drugs. Chemical modification strategies, such as N-alkylation and cyclodextrin (CD) conj...
41864341
A dynamic duo: Copper metalloregulators and continuous-wave electron spin resonance spectroscopy.
This review highlights the use of continuous-wave electron spin resonance (ESR) spectroscopy to investigate protein site-specific dynamics and metal coordination in bacterial copper metalloregulators. ESR provides direct insight into how metal binding influences conformational flexibility, revealing how similar protein...
41857806
Rapid Detection of Perfluorooctanesulfonate in Meat Based on Perovskite and Metal-Organic Frameworks Composite Materials.
This work developed a novel fluorescent sensor based on CsPbBr<sub>3</sub>@UiO-66 composite nanomaterials for perfluorooctanesulfonic acid (PFOS) detection. By encapsulating perovskite quantum dots within a metal-organic framework, the sensor enhanced the fluorescence stability of the nanocomposite and its recognition ...
41857796
Discovery of Covalent Ligands with AlphaFold3.
Covalent inhibitors are a prominent modality for research and therapeutic tools. However, a scarcity of computational methods for their discovery slows progress in this field. AI models such as AlphaFold3 (AF3) have shown accuracy in ligand pose prediction, but their applicability for virtual screening campaigns was no...
41857614
Coupled mesoporous silica nanoparticles and limonene-chitosan Pickering emulsions: enhanced insecticidal delivery and selectivity.
<h4>Background</h4>Nanodelivery represents a promising strategy to enhance pesticide efficacy while reducing associated environmental risks. Mesoporous silica nanospheres (MSNs) can serve as effective nanocarriers but improvements are essential in terms of targeting and efficiency. A promising approach involves combini...
41857590
In Silico and in vitro antiviral activity of FDA approved drugs from ZINC database against RNA-dependent RNA polymerase of dengue virus.
Dengue is a frequent mosquito borne infection with no antiviral medications approved and drug repurposing is an economical and time-saving method of creating an efficient therapy. This research has chosen RNA-dependent RNA polymerase (RdRp) of non-structural protein 5 (NS5) of dengue virus serotype 2 (DENV-2) as a ther...
41857372
SARS-CoV-2 crossreactive B-cells outnumber seasonal coronavirus spike-specific clones at the end of the COVID-19 pandemic.
How B-cell responses towards seasonal human coronaviruses (sHCoVs) impacted those towards SARS-CoV-2 has been widely studied, yet potential reverse effects are ill-defined. We compared sHCoV immune responses between cross-sectional pre-pandemic and end-pandemic cohorts of immunocompetent adults. We assessed Spike (S) r...
41857073
Identification and evaluation of tumor pyroptosis-associated antigens for design a vaccine candidate against lung cancer.
Lung cancer is the leading cause of cancer-related mortality worldwide, emphasizing the need for innovative therapeutic strategies. This study utilized immunoinformatics and structural bioinformatics approaches to design and evaluate a multi-epitope vaccine targeting pyroptosis-associated antigens (CARD8, NAIP, NLRP1, ...
41857023
Engineering synthetic cells with intramembrane domains possessing distinct bilayer asymmetries.
Our understanding of how membrane asymmetry governs biological function is limited by the lack of techniques to produce model membranes which can reliably and accurately mimic cellular membrane asymmetry. Not only in terms of asymmetric lipid distribution, but also how that asymmetry can be confined to specific lateral...
41856999
Superacid-resistant macrocyclic BODIPYs.
Boron-dipyrromethenes (BODIPYs) are versatile fluorophores with intense fluorescence and broad applications in bioimaging and sensing. However, they undergo deboronation under acidic conditions, which causes fluorescence degradation. Herein, we designed exceptionally acid-stable BODIPYs by harnessing the synergistic bo...
41856929
LiBRe: A Ligand-Aware Sequence-Based Binding Residue Prediction Model for Virtual Screening.
Identifying protein-ligand binding residues is fundamental to unlocking molecular recognition and advancing therapeutic development. Sequence-based deep learning models for predicting protein-ligand binding residues have gained attention due to their scalability and ability to operate without relying on structural info...
41855565
Ligand Side-Chains Control the Formation of an M&lt;sub&gt;8&lt;/sub&gt;L&lt;sub&gt;4&lt;/sub&gt; Molecular Barrel: Unveiling Selective Encapsulation and Sequential Separation Properties.
Inspired by the importance of steric factors in biomolecular self-assembly, we investigated their role in the exclusive coordination-driven self-assembly of a unique cationic M<sub>8</sub>L<sub>4</sub> barrel (<b>MB1</b>) using a sterically reinforced ligand (<b>L</b>). Specifically, we employed a flexible tetrapyridyl...
41855501
Multifunctional Humidity and Chemosensitive Thiazolothiazole-Based Metal-Organic Framework Sensor.
Thiazolo[5,4-<i>d</i>]thiazole (TTz) is a rigid, planar, π-conjugated heterocycle that has been widely used as a versatile sensing unit. To exploit the properties of the TTz unit within a metal-organic framework, we synthesized an electroactive <b>Cd-MOF</b> derived from thiazolo[5,4-<i>d</i>]thiazole, [Cd<sub>2</sub>(...
41855464
Hydrogen Transfer-Driven Photocatalysis in a Hydrogen-Bonded Melamine-Barbiturate Assembly.
Photogeneration of reactive oxygen species (ROS) by supramolecular assemblies based on hydrogen bonds is of considerable interest as an alternative to metal-containing photocatalysts. In this work, the mechanisms of ROS and radical generation in melamine barbiturate (MB) crystals are investigated. Using EPR spectroscop...
41855462
Light-Gated ZIF-90 Nanoplatform via Azobenzene Photoisomerization for Spatiotemporally Precise Antibacterial Delivery.
In recent years, the biomedical applications of metal-organic frameworks (MOFs) for drug delivery have attracted increasing attention, largely due to their outstanding advantages, such as high surface area and porosity for high loading of therapeutic agents, along with facile structural modification. However, MOF drug ...
41855382
A Case of Macrocyclic &lt;i&gt;N&lt;/i&gt;,&lt;i&gt;N&lt;/i&gt;'-Diphenyl-Substituted Phenanthrolinediamides: Molecular Dynamics and Eu&lt;sup&gt;3+&lt;/sup&gt;/Am&lt;sup&gt;3+&lt;/sup&gt; Binding Affinity.
A set of 12 novel macrocyclic 1,10-phenanthroline-2,9-dicarboxamides (DAPhen's) with variable ring size were synthesized. A variety of ligands were prepared with different chain lengths between amide nitrogens; in addition, the corresponding 4,7-dichloro-substituted derivatives were prepared. Using a combination of qua...
41855305
SPSiP-Enabled Pd-Catalyzed Enantioselective Alkynylamination of Alkenes.
Here, we reported the first example of enantioselective Pd-catalyzed intramolecular alkynylamination of alkenes enabled by the development of a novel SPSiP ligand using alkynyl bromides as the C(<i>sp</i>)-electrophile. This ligand-enabled protocol allows the efficient synthesis of chiral pyrrolidine derivatives at roo...
41855259
Atomic-level architecture and assembly mechanism of high-order structures of RIPK1 fibril revealed by integrated structural biology.
Receptor-interacting serine/threonine-protein kinase 1 (RIPK1) regulates cell death pathways through RHIM domain-mediated amyloid fibril formation. While amyloid fibrils typically exist as single filaments, we identified a higher-order architecture-the mouse RIPK1 (mRIPK1) fibril network-formed by the self-assembly of ...
41855189
Anatid herpesvirus 1 UL51 protein is palmitoylated by DHHC9 and DHHC18 for viral replication and virulence.
The tegument protein UL51 is conserved among herpesviruses, but the mechanisms underlying its role in viral pathogenesis remain unclear. In this study, using Anatid herpesvirus 1 (AnHV-1) as a model, we show that deletion of UL51 markedly attenuates viral replication and virulence in ducks. Immunoprecipitation coupled ...
41855095
Organic Acid-Induced Twisting in Heterometallic Clusters Enables Multimodal Chiroptical Sensing and Enantioselective Drug Recognition.
Rapid, reusable, and quantitative recognition of chiral acids and drugs remains challenging, as conventional covalent or host-guest strategies suffer from poor reversibility and limited adaptability. Here, atomically precise heterometallic nanoclusters undergo organic acid-induced coordination twisting and core symmetr...
41855086
Resonance-Assisted Tetrel Bond.
A tetrel bond (TtB) is an attractive interaction between an electrophilic element of group 14 and a nucleophile. Experimental data and theoretical calculations show that if, in an intramolecular tetrel-bonded system, the electrophilic tetrel atom Tt is connected to the nucleophilic atom through alternating single and d...
41854871
One-Dimensional van der Waals Porous Fibrils Assembled from Metal-Organic Polyhedra.
Supramolecular systems exhibit collective functions that emerge from the hierarchical assembly of individual molecular building blocks. Metal-organic polyhedra (MOPs) are a class of functional supramolecular architectures with well-defined molecular geometry and an intrinsic cavity. In recent years, considerable progre...
41854694
Re-Catalyzed [3 + 3] Annulation for Rapid Assembly of Multisubstituted Pyridines from β-Enamino Esters and 1,3-Enynes/3-Ethynyl Indoles.
Although rhenium-catalyzed annulation reactions are well-established, [3 + 3] annulations have remained elusive. We herein demonstrated a Re-catalyzed [3 + 3] annulation of β-enamino esters with 1,3-enynes affording a wide range of multisubstituted pyridines in good to excellent yields. Furthermore, 3-ethynyl indoles w...
41854646
Modulating Carrier Transport Properties at the In&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt;/ZnCo&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt; Heterojunction Interface for Triethylamine Gas Sensing.
Enhanced carrier transport properties are essential for achieving superior performance in metal oxide semiconductor (MOS) gas sensors. Heterojunction engineering and bandgap modulation can effectively improve carrier transport characteristics, thereby improving gas-sensing performance. In this work, In<sub>2</sub>O<sub...
41854523
Oppositely-charged coordination cages form a type I porous ionic liquid with two pore sizes.
Here we introduce a new type of porous liquid that combines two coordination cages in a single salt. This material is prepared through the ion metathesis of two oppositely-charged cages: one charged +20, and the other with a -16 charge. This ionic liquid has higher porosity than previously reported systems, because bot...
41854407
Dendrimer Nanogels with Built-in Free Radical Scavenging Enable Efficient Topical Delivery of a Hydrophilic Antioxidant to Restore Lens Redox Balance for Cataract Treatment.
Cataract is a leading cause of vision impairment worldwide and are primarily caused by oxidative stress that damages and aggregates lens proteins, leading to lens opacification. However, the eye's anatomical barriers limit the penetration and bioavailability of antioxidant therapies. To address this challenge, a dendri...
41854239
Transcriptome profiling of a novel &lt;i&gt;Enterobacter aerogenes&lt;/i&gt; mutant with mannose-rich exopolysaccharide phenotype induced by phosphoenolpyruvate carboxylase inactivation.
Mannose, a common monosaccharide with primary functions in protein glycosylation and immune regulation, has been widely used in medicine, cosmetics, and food additives, increasing its economic value. In our study, the <i>ppc</i> gene was knocked out in <i>Enterobacter aerogenes</i> IAM1183 to regulate phosphoenolpyruva...
41853989
Organic Materials With Dual-Morphology (Crystalline/Glassy) and High-Temperature Phosphorescence Emission.
Organic room-temperature phosphorescence (RTP) materials have attracted considerable attention due to their ultralong afterglow lifetimes and significant Stokes shift. However, most reported systems exhibit single-mode emission, operating either in crystalline forms (typically small-molecule matrices) or in amorphous s...
41853979
Adsorbate-Selective Induced-Fit in an Ultramicroporous Metal-Organic Framework for Efficient CO&lt;sub&gt;2&lt;/sub&gt; Sieving.
Capturing CO<sub>2</sub> from flue and natural gas is very critical for environmental and industrial progress. However, achieving high CO<sub>2</sub> selectivity over nitrogen (N<sub>2</sub>) and methane (CH<sub>4</sub>) via the molecular sieving mechanism remains a significant challenge. Flexible metal-organic framewo...
41853967
Fluorescent Supramolecular Gels Based on D-Sorbitol Derivatives.
Supramolecular gels formed by low-molecular-weight gelators (LMWGs) are valuable soft materials due to their remarkable versatility and wide range of applications. Developing ambidextrous LMWGs that self-assemble in diverse solvents remains challenging, as such versatility requires precise molecular engineering to ensu...
41853929
Switching the Channel Screening Effect of Metal-Organic Frameworks to Control the Selectivity of Furfural Hydrogenation.
The adsorption configuration regulation of molecules on the metal site is crucial in the targeted conversion of specific functional groups. Herein, we propose a strategy to adjust the adsorption configuration of substrate molecules by switching the channel screening effect of MOF, thereby achieving the targeted regulat...
41852330
Glycyrrhizic Acid-Based Supramolecular Hydrogels as Multifunctional Platforms for Biomedical Applications.
Glycyrrhizic acid (GA), a natural triterpenoid saponin with inherent biocompatibility, biodegradability, and multifaceted pharmacological properties, has emerged as a versatile building block for supramolecular hydrogels. Through reversible non‑covalent interactions, such as hydrogen bonding, hydrophobic effects, metal...
41852281
An ATP-Mediated Antibiotic β-Peptide Nanofiber That Kills Multidrug-Resistant Bacteria via a Multistage Mechanism.
Artificial bioinspired supramolecular assemblies hold great potential to alter modern medicine. Organic tissue-like nanomaterials built from foldamer peptidomimetics and natural biomolecules could expand our boundaries toward new biocompounds that are able to address global health challenges. Related, antimicrobial res...
41852137
MOFs as New Catalytic Platform for Covalent Adaptable Networks: Catalysis Meets Reinforcement.
Catalysis of bond exchange reactions is a versatile route to adjust kinetics and onset temperature of bond exchange reactions in covalent adaptable networks (CANs). In this work, we introduce a novel heterogeneous catalytic platform for CANs by immobilizing bases of low molecular weight on metal organic frameworks (MOF...
41852079
Quantum Insights into IR Spectral Density of Hydrogen-Bonded Cyclic Dimers: RS-Ibuprofen and RS-Ketoprofen as Model Systems.
Hydrogen bonds dictate molecular conformation and are essential in pharmaceutical design, supramolecular chemistry, and catalysis, among others. The ability to manipulate a molecule's potential for forming molecular hydrogen bonds has attracted significant interest, as it can affect bioactivity and physicochemical prop...
41851509
Dual-signal and dual-function probe Ni-MOF@Fe-CDs for sensitive and visual detection of uric acid.
In recent years, the development of nanozyme technology has provided new solutions, but some problems such as insufficient catalytic activity and limited multitarget detection capabilities still need to be addressed. Herein, iron-carbon dots (Fe-CDs) were loaded onto the petals of typical nanoflowery Ni-MOFs, and Ni-MO...
41851155
A bioinspired microdevice unifying energy storage and actuation through hydration control.
Biological systems seamlessly integrate energy storage and actuation within compact architectures, whereas synthetic approaches largely implement these functions as separate components. Conjugated polymers can couple both, yet their operation relies on ion insertion accompanied by hydration water within the polymer bac...
41782464
Sonochemical synthesis of robust covalent organic frameworks &lt;i&gt;via&lt;/i&gt; one-pot Doebner reactions in aqueous media.
Here, we report a facile and sustainable strategy for converting imine linkages to dihydroquinoline-4-carboxylic acid linkages without compromising the framework integrity. One-pot aqueous-phase three-component Doebner reactions of aromatic dialdehydes, pyrene-based tetraamine, and pyruvic acid under ultrasonic irradia...
41778836
Efficient spin-doublet near-infrared emission beyond 800 nm &lt;i&gt;via&lt;/i&gt; intramolecular charge transfer in a quasi-planar donor-acceptor structure.
Donor-acceptor type near-infrared luminescent radicals were synthesized in high yields <i>via</i> an iodinated building block. The rigid, quasi-planar configuration promotes the formation of an intramolecular charge-transfer excited state with non-bonding characteristics. This ultimately leads to efficient deep-NIR emi...
41769999
Multi-center bonding and structural integrity in M&lt;sub&gt;6&lt;/sub&gt;M&lt;sub&gt;8&lt;/sub&gt;B&lt;sub&gt;60&lt;/sub&gt; (M = Y, La, and Lu) metallo-borospherenes.
Recent experimental discoveries of metallo-borospherenes, La<sub>3</sub>B<sub>18</sub><sup>-</sup>/Tb<sub>3</sub>B<sub>18</sub><sup>-</sup>, revealed boron's capacity to form fullerene-like cage architectures, representing a significant advance in metallo-borospherene chemistry. Inspired by these findings, highly symme...
41769979
Integrated supercritical fluid extraction and online ICP-MS nano-gram determination of titanium(IV) using calixarene hydroxamic acid.
A selective and efficient method was developed for the extraction and trace determination of titanium(IV) using integrated supercritical fluid extraction (SFE) with calixarene hydroxamic acid (CC4AHA), coupled online with inductively coupled plasma mass spectrometry (ICP-MS). The extraction conditions were systematical...
41769959
Highly stable ECL sensor based on a self-supplied H&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;2&lt;/sub&gt; probe and MOF nanozyme for ultrasensitive environmental mycotoxin ZEA detection.
Zearalenone (ZEA), an environmental mycotoxin produced by <i>Fusarium</i> fungi, is widely present in grains and grain products. Due to its potent carcinogenicity and toxicity, it poses a serious threat to human and animal health, necessitating the development of simple, sensitive, and reliable ZEA detection methods. T...
41746134
Biomass carbon quantum dots and Zr-MOFs as ratiometric fluorescent probes for sensitive detection of biogenic amines in shrimp samples.
On-site rapid food safety testing is an important means of market supervision. A "dual-response-reverse" (one signal increases while the other decreases) type biomass carbon quantum dots (G-BCQDs)/Zr-MOF ratiometric fluorescent paper-based sensor was designed for the visual detection of spermine concentration (SPM, a r...
41744328
An aptamer sensor based on peroxidase-like AgNPs@MOF for SERS and colorimetric dual-mode detection of sulfadimethoxine.
An AgNPs@MOF bifunctional nanocomposite (combining peroxidase-like catalytic properties and surface-enhanced Raman activity substrate) was synthesized. The material can decompose H<sub>2</sub>O<sub>2</sub> to produce hydroxyl radicals (˙OH), which oxidize the chromogenic substrate 3,3',5,5'-tetramethylbenzidine (TMB) f...
41711088
Precise molecular ordering in discotic monolayers through supramolecular nanoarchitectonics.
Achieving a high degree of structural ordering in monolayers of disc-shaped molecules, typically comprising large aromatic cores and flexible alkyl chains, is exceptionally challenging yet essential for developing functional materials in organic electronics and optoelectronics. Here, we present a strategy, solely based...
41705880
Thiolactone ring dynamics in dimeric lipids enable pH-switchable supramolecular tuning in surface-engineered quantum dots.
Surface functionalization of semiconductor nanocrystals with stimuli-responsive ligands provides a powerful platform for designing adaptive nanomaterials for biomedical and optoelectronic applications. In this work, we present a novel strategy for engineering quantum dot (QD) surfaces using thiolactone ring-opening and...