1013 papers
This paper introduces the 4L-QSPR framework, a leakage-aware workflow that separates endpoint-independent chemical grouping from supervised descriptor selection and nested model optimization to achieve chemically generalizable and interpretable aqueous solubility predictions with an MAE of 0.459 logS units.
This study demonstrates that COF-5-based composites, particularly TiO₂@COF-5, significantly enhance the UV/H₂O₂-assisted photocatalytic degradation of 4-nitrophenol by improving substrate accessibility and charge-transfer efficiency compared to individual components.
This study presents a closed-form analytical solution for sharp-front reactive transport in porous media, demonstrating that the experimentally inferred effective diffusion coefficient fundamentally differs from the intrinsic molecular diffusion coefficient due to coupled advection-diffusion-thermodynamic effects, a framework validated through Portland cement carbonation experiments under various flow conditions.
This study demonstrates that modifying cocoa pod husk-derived carbon anodes with geothermal silica and FeCl₃ activation yields a porous composite with a high surface area of 616.304 m²/g, achieving a specific capacity of 405.56 mAh/g and a prototype voltage of 3.083 V, thereby confirming its suitability for optimized Li-ion pouch cell battery applications.
This study utilizes DFT calculations and XRD analysis to demonstrate that doping PEO-based polymer electrolytes with MgO and ZnO nanoparticles reduces crystallinity and narrows the HOMO-LUMO band gap, thereby enhancing ion coordination and electrochemical stability for next-generation energy storage systems.
This study demonstrates that incorporating manganese and silica-rich induction furnace slag into ceramic tile formulations, guided by thermodynamic modeling, enables the production of high-performance, self-glazed tiles at reduced firing temperatures while effectively valorizing metallurgical waste.
This paper presents an engineered living material system that utilizes co-cultured yeast strains and cellulose nanofibrils to directly grow catalytic, protein-based hydrogels with superior viscoelastic properties, thereby replacing complex chemical fabrication with a simplified biological growth process.
This study demonstrates that ultra-speed sintering induces layer-specific microstructural changes in yttria-gradient zirconia, significantly reducing the translucency of the incisal layer due to increased grain size and residual pores while altering phase composition, thereby reversing the natural translucency gradient between the incisal and cervical layers.
This study demonstrates that while the synthesized [103Pd]Pd-DOTMP complex is stable, its efficacy for bone metastasis therapy is significantly limited compared to beta-emitting alternatives due to the short range of conversion and Auger electrons and the lack of nuclear localization in cells.
This study establishes a quantitative structure–property–perception framework for cosmetic foundations by correlating multiscale microscopic characterization of pigment microstructure with instrumental measurements of optical finish and coverage, as well as consumer sensory evaluations, to derive actionable design rules for formulation and digital commerce.