J Am Chem Soc
September 2025
Metal-organic frameworks (MOFs) are distinguished by their structural diversity, tunable electronic properties, and exceptional performance in various applications. Notably, the electron-donating ability of ligands significantly enhances the ligand-to-metal charge transfer (LMCT) processes within these frameworks, thereby promoting efficient charge migration. Herein, we developed two electron-rich macrocyclic ligands derived from phenothiazine- and phenoxazine-functionalized calix[3]arenes, alongside their corresponding cobalt-coordinated MOFs.
View Article and Find Full Text PDFComput Biol Chem
September 2025
Cancer presents a significant challenge in the field of public health due to its high incidence, mortality rate, and inherent heterogeneity. Integrating multi-omics biological data offers a comprehensive and intricate understanding of biological processes, disease mechanisms, and cancer subtyping, rendering it an influential tool for scientific research. Nevertheless, current approaches to integrating multi-omics data often fail to consider the scale of data in feature information and overlook the analysis of the individual and shared feature expressions in multi-omics data.
View Article and Find Full Text PDFObjectives: The aim of this study was to create a rapid admixture of mineral trioxide aggregate (MTA) and silver nanoparticles (AgNPs) for chairside use in clinical settings to remediate the challenges associated with root canal treatment and pulp capping.
Methods: Synthesized AgNPs at ratios of 10 and 25% were added to commercially available MTA to create an admixture. The admixture was subjected to structural and morphological assessment using X-ray diffraction analysis (XRD), Fourier transform infrared (FT-IR) analysis, Raman spectroscopy, and scanning electron microscopy.
The typical P2-type NaNiMnO exhibits a high theoretical capacity for sodium-ion batteries (SIBs). However, its P2-O2 phase transition during deep charging causes severe structural degradation and capacity decay. In this work, we propose a site-selective doping strategy based on multielement synergy to suppress irreversible phase transitions.
View Article and Find Full Text PDFThe design of durable and high-performance electrodes for the oxygen evolution reaction (OER) is important for producing green hydrogen water electrolysis. In this work, we present a multiscale modeling framework that effectively integrates Density Functional Theory (DFT) with Finite Element Modeling (FEM) for the electrodes of polymer electrolyte membrane electrolysers. The framework connects atomic-scale mechanisms of the four electrocatalysts with their half-cell-level redox performance.
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