1045 papers
This paper reports the synthesis and characterization of a novel pyrazole-based fluorescent probe (compound F) that exhibits high selectivity and sensitivity for the detection of Fe(III), Fe(II), and Cu(II) ions through fluorescence quenching, with a confirmed 1:1 binding stoichiometry and low detection limits validated by both experimental and theoretical studies.
A comprehensive fluorine mass balance analysis of tap water from 34 European cities reveals that while regulated PFAS like PFOA and PFOS are ubiquitous and TFA is the most abundant compound, unidentified extractable fluorine constitutes the majority of the fluorine mass, indicating that current monitoring frameworks significantly underestimate exposure and toxicological risks.
This study establishes a data-driven framework for synthesizing chiral gold 432 helicoids with high chiroptical activity by utilizing autonomous Gryffin algorithms and spectral manifold learning to map a high-dimensional synthesis landscape, revealing how precursor loading and glutathione control morphology and uncovering intermediate chiral rhombic dodecahedra to bridge mechanistic gaps in nanoparticle formation.
This study evaluates the thermal, wetting, and microstructural properties of Sn-58%Bi solder joints at reflow temperatures of 160°C, 170°C, and 180°C, confirming their suitability for low-temperature microelectronic assembly through moderate wettability and the formation of uniform intermetallic compounds at higher temperatures.
This study employs density functional theory calculations to systematically evaluate the hydrogen atom transfer mechanisms of zeaxanthin and lutein terminal rings against phenoxyl radicals, identifying the C3 site of lutein as the most effective scavenging center and elucidating how solvent environments, substituent bulk, and conjugated chain length modulate reaction kinetics and thermodynamics.
This study demonstrates an efficient aqueous electrocatalytic route for converting hazardous sulfide pollutants into valuable sulfamate by optimizing the interfacial microenvironment on a PTFE-decorated carbon surface to facilitate on-surface N–S bond formation.
This NASA CEA-based theoretical study evaluates the thermochemical performance of various oxygenated fuels against RP-1 for LOX rocket propulsion, concluding that while dimethyl ether and ethanol retain nearly ideal performance, ethanol emerges as the most practical moderate-penalty candidate when balancing fuel-bound oxygen effects, density, and handling constraints.
This study demonstrates that the n-hexane extract of *Benincasa hispida* leaves exhibits potent and specific *in vitro* α-amylase inhibitory activity, primarily attributed to the presence of cucurbitacin A and cucurbitacin C identified via UHPLC-MS.
This study demonstrates that optimizing clay nanoparticle-reinforced epoxy coatings at approximately 3.48 wt.% significantly enhances the corrosion resistance, adhesion, and hardness of mild steel in acidic environments, validating a predictive model that outperforms commercial alternatives.
This paper proposes a thermodynamics-informed graph learning framework to predict CO2 solubility in saline brines by modeling chemical interactions as graphs with physical constraints, demonstrating that while graph-based descriptors improve relative-error performance compared to traditional models, high-salinity extrapolation remains a significant challenge.