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Analysis of enzyme kinetics of fungal methionine synthases in an optimized colorimetric microscale assay for measuring cobalamin-independent methionine synthase activity.
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Protein Chemistry and Enzyme Technology, Department of Biotechnology and Biomedicine, Building 221, Technical University of Denmark, Lyngby DK-2800 Kgs, Denmark. Electronic address:
Aspergillus spp. and Rhizopus spp., used in solid-state plant food fermentations, encode cobalamin-independent methionine synthase activity (MetE, EC 2.
View Article and Find Full Text PDFDensity functional theory study of hydrogen and oxygen reactions on NiO(100) and Ce doped NiO(100).
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State Key Laboratory of Polyolefins and Catalysis, Shanghai, 200062, People's Republic of China.
Context: This study aims to reveal the reaction mechanisms of H and O on the NiO(100) and Ce-doped NiO(100) surfaces using the density functional theory (DFT) combined with the on-site Coulomb correction (DFT + U) method. It was found that H and O react favorably on the reduced surfaces of both materials. However, after the oxygen vacancy is filled, the activation energy for the reaction between H₂ and lattice oxygen increases.
View Article and Find Full Text PDFAccurate Force Field for Carbon Dioxide-Silica Interactions Based on Density Functional Theory.
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Nuclear Waste Disposal Research & Analysis Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, United States.
Fluid-silica interfaces are ubiquitous in chemistry, occurring in both natural geochemical environments and practical applications ranging from separations to catalysis. Simulations of these interfaces have been, and continue to be, a significant avenue for understanding their behavior. A constraining factor, however, is the availability of accurate force fields.
View Article and Find Full Text PDFProtonation effects in protein-ligand complexes - a case study of endothiapepsin and pepstatin A with computational and experimental methods.
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Crystals First GmbH, -, GERMANY.
Protonation states serve as an essential molecular recognition motif for biological processes. Their correct consideration is key to successful drug design campaigns, since chemoinformatic tools usually deal with default protonation states of ligands and proteins and miss atypical protonation states. The protonation pattern for the Endothiapepsin/PepstatinA (EP/pepA) complex is investigated using different dry lab and wet lab techniques.
View Article and Find Full Text PDFEfficacy and durability of cobalt sulfide nanoparticles and axial sulfur-coordinated cobalt single-atom composite sites in hydrogenative nitroaromatics decontamination.
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Key Laboratory for Water Quality and Conservation of the Pearl River Delta, Ministry of Education, School of Environmental Science and Engineering, Guangzhou University, Guangzhou 510006, China. Electronic address:
Emerging single-atom materials and metal sulfides hold significant promise as alternatives to precious metal catalysts for nitroaromatics conversion; however, their intrinsic activity and durability remain insufficiently understood. Herein, sulfur and nitrogen co-doped carbon matrices incorporating CoS nanoparticles and single-atom Co with Co-N-S coordination were constructed through a facile pyrolysis approach. Advanced characterization techniques, such as X-ray absorption fine structure (XAFS) and aberration-corrected electron microscopy, unveiled unique structural features underpinning exceptional catalytic efficiency and recyclability.
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