1711 papers
This paper introduces a lightweight, plug-and-play hybrid CNN-Transformer framework that achieves state-of-the-art molecular structure elucidation directly from raw IR, Raman, and NMR spectral inputs without external knowledge, while providing mechanistic insights into spectral contributions and token-based generation strategies.
This paper, titled "Optimizing Electron-Beam Photothermal Pyrolysis Parameters for Enhanced Molecular Biodegradability of Polyvinyl Chloride (PVC) Plastics," was withdrawn on August 18, 2026, due to methodological errors that compromised the reliability of its findings, leading to the retraction of its corresponding peer-reviewed article.
This review critically evaluates the synthesis, characterization, and functional applications of metal complexes derived from a specific bis-hydrazone Schiff base ligand formed by disalicylaldehyde derivatives and picolinohydrazide, synthesizing findings from 35 studies to highlight their structure-property relationships in catalysis, sensing, and biological systems.
This study establishes a unified QSRR model capable of predicting the chromatographic retention of both flavones and isoflavones using a minimal set of two physically interpretable solvation free energy descriptors derived from density functional theory, thereby overcoming the traditional limitation of scaffold-specific models.
This study develops a modified iron-loaded biochar adsorbent and a BP neural network model optimized by particle swarm optimization to effectively predict and reverse-optimize process parameters for removing salts and minerals from high-salinity water, achieving 91.8% adsorption efficiency with demonstrated economic feasibility.
This study reports the design, synthesis, and evaluation of novel isoniazid-tethered 1,3,4-thiadiazole derivatives as potential HER2-targeting anticancer agents, identifying compound BVSBSN2C as the most potent cytotoxic candidate against MCF-7 breast cancer cells with an IC₅₀ of 53.21 µg/mL.
This study presents a room-temperature resistive CO₂ sensor based on an NP-PSi/CuO/rGO trilayer heterojunction that achieves a sensing response of ~26.5% at 5.66 vol% CO₂ with an ultrafast recovery time of 3–7 seconds, representing a significant improvement in kinetics over existing technologies.
This study demonstrates that incorporating zinc oxide nanoparticles into a sulfonated poly(ether ether ketone) (SPEEK) matrix significantly enhances the electrochemical performance of flexible sensors by increasing interfacial area and leveraging synergistic interactions between the components.
This study demonstrates that perfluorohexanone microcapsules with a gelatin-phenolic composite shell offer superior fire extinguishing performance in complex scenarios by enabling targeted penetration, delayed release, and the formation of a physical barrier that inhibits fuel volatilization and prevents re-ignition.
This study elucidates the chemical bonding and electronic structure of multi-layered graphene films synthesized via low-temperature CVD using a chlorobenzene/PMMA carbon source on copper foil, characterizing the material through Raman, XPS, and NEXAFS spectroscopy to confirm sp²/sp³ carbon configurations and identify residual oxygen impurities.