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First-principles study of CO and HO adsorption on the anatase TiO(101) surface: effect of Au doping.
Phys Chem Chem Phys
January 2025
Shanxi Coal International Energy Group Co., Ltd., Taiyuan 030000, China.
Photocatalytic reduction of CO will play a major role in future energy and environmental crisis. To investigate the adsorption mechanisms of CO and HO molecules involved in the catalytic process on the surface of anatase titanium dioxide 101 (TiO(101)) and the influence of Au atom doping on their adsorption, first-principles density functional theory calculations were used. The results show that 1.
View Article and Find Full Text PDFPre-Fusion Shape Changes of Humeral Metaphyseal Surfaces: A New Method for Assessing Maturity and Age in Non-Adult Skeletal Individuals.
Am J Biol Anthropol
January 2025
Laboratorio de Evolución Humana, Universidad de Burgos. Edificio I+D+i/CIBA, Burgos, Spain.
Objectives: The current research delves into the use of 3D geometric morphometric for assessing shifts in maturity within both the proximal and distal humeral metaphyses. It mainly focuses on establishing correlations between these shifts and the shape changes observed in the corresponding epiphyses established through radiographic imaging.
Material And Methods: The total sample comprises 120 right-side proximal humeral metaphyses and 91 right-side distal humeral metaphyses.
Stabilizing Contorted Doubly-Reduced Tetraphenylene with Heavy Alkali Metal Complexation: Crystallographic and Theoretical Evidence.
Chem Asian J
January 2025
Department of Chemistry, University at Albany, State University of New York, Albany, NY, 12222, USA.
The two-fold reduction of tetrabenzo[a,c,e,g]cyclooctatetraene (TBCOT, or tetraphenylene, 1) with K, Rb, and Cs metals reveals a distinctive core transformation pathway: a newly formed C-C bond converts the central eight-membered ring into a twisted core with two fused five-membered rings. This C-C bond of 1.589(3)-1.
View Article and Find Full Text PDFSoft nanoforest of metal single atoms for free diffusion catalysis.
Sci Adv
January 2025
School of Chemistry and Chemical Engineering, Zhangjiang Institute for Advanced Study, Frontiers Science Center for Transformative Molecules, State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240, P. R. China.
Metal single atoms are of increasing importance in catalytic reactions. However, the mass diffusion is yet substantially limited by the confined surface of the support in comparison to homogeneous catalysis. Here, we demonstrate that cylindrical micellar brushes with highly solvated poly(2-vinylpyridine) coronas can immobilize 33 types of metal single atoms with 8.
View Article and Find Full Text PDFDendritic Platinum Nanoparticles Shielded by Pt-S PEGylation as Intracellular Reactors for Bioorthogonal Uncaging Chemistry.
Angew Chem Int Ed Engl
January 2025
University of Edinburgh, Edinburgh Cancer Research, Crewe Road South, Institute of Genetics and Cancer, EH4 2XR, Edinburgh, UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND.
Beyond their classical role as cytotoxics, Platinum (Pt) coordination complexes recently joined the selected group of transition metals capable of performing bioorthogonal reactions in living environments. To minimize their reactivity towards nucleophiles, which limit their catalytic performance, we investigated the use of Pt(0) with different forms, sizes and surface functionalization. We report herein the development of PEGylated Pt nanodendrites with the capacity to activate prodyes and prodrugs in cell culture and in vivo.
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