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Designing pillar-layered metal-organic frameworks with photo-induced electron transfer interactions between ligands for enhanced photodynamic sterilization and photocatalytic degradation of dyes and antibiotics.
J Colloid Interface Sci
January 2025
School of Chemistry and Chemical Engineering, Guangxi Key Laboratory of Electrochemical Energy Materials, Guangxi University, Nanning 530004 PR China. Electronic address:
Pollution caused by antibiotics, bacteria, and organic dyes presents global public health challenges, posing serious risks to human health. Consequently, new, efficient, fast, and simple photocatalytic systems are urgently required. To this end, 2,7-di(pyridin-4-yl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone (NDI)-an electron acceptor-is introduced as a connecting column into a porphyrin-based metal-organic layer (2DTcpp) with excellent photocatalytic activity; this modification yields a three-dimensional pillar-layered metal-organic framework (MOF, 3DNDITcpp) with superior photocatalytic reactive oxygen species (ROS) generation capability.
View Article and Find Full Text PDFIn much of the northern Great Basin of the western United States, rangelands, and semi-arid ecosystems invaded by exotic annual grasses such as cheatgrass () and medusahead () are experiencing an increasingly short fire cycle, which is compounding and persistent. Improving and expanding ground-based field methods for measuring the above-ground biomass (AGB) may enable more sample collections across a landscape and over succession regimes and better harmonize with other remote sensing techniques. Developments and increased adoption of unoccupied aerial systems (UAS) and instrumentation for vegetation monitoring enable greater understanding of vegetation in many ecosystems.
View Article and Find Full Text PDFIdentification of promising dipeptidyl peptidase-4 and protein tyrosine phosphatase 1B inhibitors from selected terpenoids through molecular modeling.
Bioinform Adv
December 2024
Structural and Computational Biology Group, Nutritional and Industrial Biochemistry Research Unit, Department of Biochemistry, College of Medicine, University of Ibadan, Ibadan 200005, Nigeria.
Motivation: Investigating novel drug-target interactions is crucial for expanding the chemical space of emerging therapeutic targets in human diseases. Herein, we explored the interactions of dipeptidyl peptidase-4 and protein tyrosine phosphatase 1B with selected terpenoids from African antidiabetic plants.
Results: Using molecular docking, molecular dynamics simulations, molecular mechanics with generalized Born and surface area solvation-free energy, and density functional theory analyses, the study revealed dipeptidyl peptidase-4 as a promising target.
Impact of Ligand Structure on Biological Activity and Photophysical Properties of NHC-Protected Au Nanoclusters.
J Am Chem Soc
January 2025
Department of Chemistry, Queen's University, Kingston, Ontario K7L 3N6, Canada.
N-heterocyclic carbene (NHC)-protected gold nanoclusters display high stability and high photoluminescence, making them well-suited for fluorescence imaging and photodynamic therapeutic applications. We report herein the synthesis of two bisNHC-protected Au nanoclusters with π-extended aromatic systems. Depending on the position of the π-extended aromatic system, changes to the structure of the ligand shell in the cluster are observed, with the ability to correlate increases in rigidity with increases in fluorescence quantum yield.
View Article and Find Full Text PDFModulation of Molecular Quadrupole Moments by Phenyl Side-Chain Fluorination for High-Voltage and High-Performance Organic Solar Cells.
J Am Chem Soc
January 2025
College of Biological, Chemical Sciences and Engineering, Jiaxing University, Jiaxing 314001, China.
The ground-state charge generation (GSCG) in photoactive layers determines whether the photogenerated carriers occupy the deep trap energy levels, which, in turn, affects the device performance of organic solar cells (OSCs). In this work, charge-quadrupole electrostatic interactions are modulated to achieve GSCG through a molecular strategy of introducing different numbers of F atom substitutions on the BTA3 side chain. The results show that 8F substitution (BTA3-8F) and 16F substitution (BTA3-16F) lead to different patterns of highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy level changes.
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