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Where Does the Proton Go? Structure and Dynamics of Hydrogen-Bond Switching in Aminophosphine Chalcogenides.
Angew Chem Int Ed Engl
January 2025
University of Regensburg, Faculty of Chemistry and Pharmacy, Institute of Inorganic Chemistry, Universitätsstraße 31, D-93053, Regensburg, GERMANY.
Aminophosphates are the focus of research on prebiotic phosphorylation chemistry. Their bifunctional nature also makes them a powerful class of organocatalysts. However, the structural chemistry and dynamics of proton-binding in phosphorylation and organocatalytic mechanisms are still not fully understood.
View Article and Find Full Text PDFProbing Impact of Support Pore Diameter on Three-phase Interfaces of Pt/C Catalysts by Molecular Dynamic Simulation.
ACS Appl Mater Interfaces
January 2025
State Key Laboratory of Advanced Chemical Power Sources (Chongqing University), Chongqing 400044, China.
Investigating how the size of carbon support pores influences the three-phase interface of platinum (Pt) particles in fuel cells is essential for enhancing catalyst utilization. This study employed molecular dynamics simulations and density functional theory calculation to examine the effects of mesoporous carbon support size, specifically its pore diameter, on Nafion ionomer distribution, as well as on proton and gas/liquid transport channels, and the utilization of Pt active sites. The findings show that when Pt particles are located within the pores of carbon support (Pt/PC), there is a significant enhancement in the spatial distribution of Nafion ionomer, along with a reduction in encapsulation around the Pt particles, compared to when Pt particles are positioned on the surface or in excessively large pores of the carbon support.
View Article and Find Full Text PDFMicrowave-Assisted Rapid Hydrothermal Synthesis of Vanadium-Based Cathode: Unravelling Charge Storage Mechanisms in Aqueous Zinc-Ion Batteries.
ChemSusChem
January 2025
Gebze Technical University, Department of Chemical Engineering, Gebze, 41400, Kocaeli, TURKEY.
This contribution uses a rapid microwave-assisted hydrothermal synthesis method to produce a vanadium-based K1.92Mn0.54V2O5·H2O cathode material (quoted as KMnVOH).
View Article and Find Full Text PDFUnravelling OsPHT2;1 function in Chloroplast Phosphorus Homeostasis and Photosynthetic Efficiency under Low Phosphorus Stress in Rice.
Physiol Plant
January 2025
College of Life Sciences, Nanjing Agricultural University, Nanjing, China.
Phosphorus (P) deficiency is a critical factor limiting crop productivity, primarily due to its detrimental effects on photosynthesis and dry matter accumulation. In this study, we investigate the role of the rice gene OsPHT2;1 in mediating chloroplast P homeostasis and its subsequent impact on photosynthetic function under low P conditions. Stomatal conductance is typically positively correlated with net photosynthetic rates; however, P deficiency disrupts this relationship, leading to reduced stomatal opening and diminished photosynthetic efficiency.
View Article and Find Full Text PDFLigand-induced changes in the electrocatalytic activity of atomically precise Au nanoclusters.
Chem Sci
January 2025
School of Chemistry and Chemical Engineering, Chongqing Key Laboratory of Chemical Theory and Mechanism, Chongqing University Chongqing 401331 China
Atomically precise gold nanoclusters have shown great promise as model electrocatalysts in pivotal electrocatalytic processes such as the hydrogen evolution reaction (HER) and carbon dioxide reduction reaction (CORR). Although the influence of ligands on the electronic properties of these nanoclusters is well acknowledged, the ligand effects on their electrocatalytic performances have been rarely explored. Herein, using [Au(SR)] nanoclusters as a prototype model, we demonstrated the importance of ligand hydrophilicity hydrophobicity in modulating the interface dynamics and electrocatalytic performance.
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