1676 papers
This study utilizes machine-learning potentials to efficiently explore reaction pathways for the Rochow-Müller process on a Cu-Si surface, revealing that while these models can underestimate specific values compared to DFT, they effectively identify promising alternative routes to M2 production by significantly accelerating the search process.
This study presents the development and validation of a robust, AQbD-optimized RP-HPLC method for the accurate quantification of regorafenib in bulk and tablet forms, demonstrating high sensitivity, precision, and reliability through statistical design and ICH-compliant validation.
This study theoretically investigates the atomic-scale reaction mechanisms of 2,4- and 2,6-di-tert-butylphenol carboxylation, revealing that while the 2,4-isomer forms a more stable product, its higher energy barrier necessitates high temperature and pressure conditions for efficient industrial production via the Kolbe-Schmitt reaction.
This study demonstrates the controlled synthesis of lead-free Cs3Bi2I9 perovskite nanocrystals via a continuous-flow ligand-assisted re-precipitation method, resulting in thin films with a 1.8 eV bandgap and photovoltaic devices achieving a power conversion efficiency of 0.5%.
This study demonstrates an eco-friendly, solution combustion method for synthesizing high-purity, hexagonal wurtzite ZnO nanoparticles (~18–20 nm) using Aloe vera latex as a natural fuel, confirming their structural integrity and optical properties (3.28 eV band gap) for potential applications in biomedicine and solar energy.
This study demonstrates that an iron-magnesium layered double hydroxide/biochar composite (FML@BC) effectively stabilizes toxic Cr(VI) through a synergistic adsorption-reduction-immobilization mechanism, achieving high removal efficiency, long-term durability, and regulatory compliance supported by experimental validation and DFT/AIMD mechanistic insights.
Using droperidol as a case study, this paper demonstrates that the consistent manufacture of pharmacopoeial-grade API requires an integrated understanding of interconnected process challenges—including impurity formation, oxidative degradation, and solid-state behavior—by characterizing specific impurities to inform mechanistic insights and robust control strategies.
This study utilizes the Cambridge Structural Database to demonstrate that Yury T. Struchkov consistently ranked among the top global contributors to X-ray diffraction research in organic crystal structures throughout his career, particularly in total entries, atomic coordinate determinations, and low-temperature studies during the periods 1952–1974 and 1975–1994.
This study presents the development and validation of a green, stability-indicating RP-HPLC method using a phenyl stationary phase and ethanol-based mobile phase for the accurate quantification of the hydrolytically labile prodrug azilsartan medoxomil in tablets, optimized via response surface methodology and assessed with multiple greenness metrics.
This study demonstrates that while Soxhlet extraction effectively removes residual oil from spent bleaching earth to preserve its structure for adsorptive reuse, thermal calcination induces significant mineralogical transformations suitable for ceramic applications, thereby offering distinct sustainable pathways for recycling palm oil refinery waste.