1045 papers
This study computationally evaluates a series of quinazolinone-based hydrazine Schiff base derivatives as promising EGFR inhibitors, demonstrating that Compound 5 exhibits superior binding affinity, pharmacokinetic properties, and electronic characteristics compared to the standard drug erlotinib.
This study demonstrates that incorporating redox-inactive zinc into the framework of SSZ-13 zeolites stabilizes specific Cu₃O₃ clusters and modulates their electronic structure via interfacial charge transfer, thereby enabling a highly efficient and stable photothermal strategy for converting methane to methanol with significantly improved yield and selectivity compared to conventional thermal catalysis.
This study reports the first discovery of fossilized carbonaceous matter in agates from the Tevinsky deposit in Northern Kamchatka, Russia, using EPR spectroscopy to characterize trapped organic radicals and their transformation into localized carbon radicals upon thermal annealing.
This study demonstrates that heat-treating electrodeposited Ni–Mo–B coatings to form Mo₂NiB₂ boride-rich microstructures significantly enhances hardness and stabilizes tribocorrosion performance in saline environments by shifting the wear mechanism from unstable oxidative–adhesive to stable oxidation-controlled regimes.
This study demonstrates unprecedented giant plasticity (up to 93% strain) in the ceramic semiconductor GeSe by utilizing a shear-mediated chair-to-boat conformational switching mechanism, offering a new strategy for developing flexible electronics.
The study introduces a novel lipopeptide conjugate, FMdEG-KTTKS, which self-assembles into spherical micelles and demonstrates superior collagen-stimulating, wound-healing, and anti-inflammatory properties compared to conventional stimulants, even at concentrations below its critical micelle concentration.
This study presents a smartphone-assisted dual-mode (colorimetric and fluorescent) immunosensor utilizing MnO2 nanosheets and TMB for the sensitive and reliable detection of ochratoxin A in red wine through an indirect competitive assay.
This study demonstrates that a choline chloride–lactic acid deep eutectic solvent serves as an effective, environmentally friendly medium for the electropolishing of nickel and cobalt, achieving significant nanoscale surface smoothing and mirror-like finishes under optimized potentiostatic conditions.
This paper presents a novel polymer design that combines rigid helical foldamer domains with flexible oligomeric blocks to suppress globular collapse and enable the a priori programmable self-assembly of macromolecules into diverse, ordered porous nanostructures and crystalline networks with applications in sensing, catalysis, and separations.
This study presents an integrated framework combining experimental synthesis, density functional theory calculations, and classical/hybrid quantum-classical neural networks to accurately predict the bandgap and color of Cr/Sb co-doped TiO₂ ceramic pigments, demonstrating the potential of quantum machine learning for materials design.