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Theoretically Guided Development of Excitation-Wavelength-Dependent Multifunctional Phosphor Based on Gallium Vacancy Perturbation.
ACS Appl Mater Interfaces
January 2025
School of Physics and Optoelectronic Engineering, Ludong University, Yantai 264000, China.
Constructing multifunctional phosphors grounded in the intricate relationship between energy level structures and luminescent properties has captivated researchers in the luminescent material field. Herein, using the embedded cluster multiconfigurational ab initio method, the energy levels of Bi in the SrLaGaO host at different geometries were calculated, which results in the establishment of complete configurational coordinate curves, yielding breathing mode vibrational frequencies and equilibrium bond lengths for all excited states. These curves supply deep insight into the luminescence properties of Bi-doped phosphors and highlight the impact of ions in the second coordination sphere on luminescence.
View Article and Find Full Text PDFFull Quantum Dynamics Study for H Atom Scattering from Graphen.
J Phys Chem A
January 2025
Université Paris-Saclay, CNRS, Institut des Sciences Moléculaires d'Orsay UMR 8214, 91405 Orsay, France.
This study deals with the understanding of hydrogen atom scattering from graphene, a process critical for exploring C-H bond formation and energy transfer during atom surface collision. In our previous work [Shi, L.; 2023, 159, 194102], starting from a cell with 24 carbon atoms treated periodically, we have achieved quantum dynamics (QD) simulations with a reduced-dimensional model (15D) and a simulation in full dimensionality (75D).
View Article and Find Full Text PDF[Comparing standard microbiological methods for identification of Staphylococcus aureus and MRSA with the automated BD MAXTM StaphSR system].
Klin Mikrobiol Infekc Lek
March 2024
Department of Microbiology, Olomouc University Hospital, Czech Republic, e-mail:
Objectives: Staphylococcus aureus is part of the human microbiota, but at the same time, it is capable of causing a wide range of diseases. Due to the ever-increasing resistance to antimicrobial agents and the existence of methicillin-resistant S. aureus (MRSA) strains, there is a real possibility of carrying even this resistant bacterium, which can subsequently cause a severe infection.
View Article and Find Full Text PDFA comprehensive analysis to reveal the underlying molecular mechanisms of natural killer cell in thyroid carcinoma based on single-cell RNA sequencing data.
Discov Oncol
January 2025
The Department of Experimental Medicine, Meishan City People's Hospital, No. 288, South Fourth Section, Dongpo Avenue, Meishan, 620000, Sichuan, China.
Background: Thyroid carcinoma (THCA) is the most common cancer of the endocrine system. Natural killer (NK) cell play an important role in tumor immune surveillance. The aim of this study was to explore the possible molecular mechanisms involved in NK cell in THCA to help the management and treatment of the disease.
View Article and Find Full Text PDFIdentification of plant-based spilled oils using direct analysis in real-time-time-of-flight mass spectrometry with hydrophobic paper sampling.
Environ Monit Assess
January 2025
Science and Technology Branch, Pacific Environmental Science Centre, Environment and Climate Change Canada, Pacific and Yukon Laboratory for Environmental Testing, North Vancouver, BC, Canada.
Spilled plant-based oils behave very differently in comparison to petroleum oils and require different clean-up measures. They do not evaporate, disperse, dissolve, or emulsify to a significant degree but can polymerize and form an impermeable cap on sediment, smothering benthic media and resulting in an immediate impact on the wildlife community. The current study explored the application of rapid up-to-date direct analysis in real time (DART) with high-resolution mass spectrometry for plant-based oil typing.
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