Low-energy structures are found on the potential energy surfaces of the neutral, cationic, and anionic gold clusters Au(5< or = n < or =9)Z (Z=0,+/-1) and on the neutral potential energy surface of Au(9). These structures provide insights on the two to three dimensional (2D-->3D) transition in small neutral and charged gold clusters. It is demonstrated that the size threshold for the 2D-3D coexistence is lower for cationic than neutral gold clusters: the 2D-3D coexistence develops for Au(5) (+) and Au(7) (+) on the cationic potential energy surfaces while only for Au(9) on the neutral. Two metastable long-lived dianions of gold clusters are also reported.
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http://dx.doi.org/10.1063/1.1830451 | DOI Listing |
J Am Med Inform Assoc
January 2025
Sinclair School of Nursing, University of Missouri, Columbia, MO 65211, United States.
Objective: This study aimed to explore the utilization of a fine-tuned language model to extract expressions related to the Age-Friendly Health Systems 4M Framework (What Matters, Medication, Mentation, and Mobility) from nursing home worker text messages, deploy automated mapping of these expressions to a taxonomy, and explore the created expressions and relationships.
Materials And Methods: The dataset included 21 357 text messages from healthcare workers in 12 Missouri nursing homes. A sample of 860 messages was annotated by clinical experts to form a "Gold Standard" dataset.
Sci Rep
January 2025
Department of Chemistry, Federal University of Paraná, Curitiba, 81531-980, Brazil.
Gold-based (Au) nanostructures are efficient catalysts for CO oxidation, hydrogen evolution (HER), and oxygen evolution (OER) reactions, but stabilizing them on graphene (Gr) is challenging due to weak affinity from delocalized [Formula: see text] carbon orbitals. This study investigates forming metal alloys to enhance stability and catalytic performance of Au-based nanocatalysts. Using ab initio density functional theory, we characterize [Formula: see text] sub-nanoclusters (M = Ni, Pd, Pt, Cu, and Ag) with atomicities [Formula: see text], both in gas-phase and supported on Gr.
View Article and Find Full Text PDFChem Asian J
January 2025
Towson University, 8000 York Road, SC 3301B, 21252, Towson, UNITED STATES OF AMERICA.
Au nanoclusters often demonstrate useful optical properties such as visible/near-infrared photoluminescence in addition to remarkable thermodynamic stability owing to their superatomic behavior. The smallest of the 8e- superatomic Au nanoclusters, Au11, has limited applications due to its lack of luminescence and relatively low stability. In this work, we investigate the introduction of a single Pt dopant to the center of a halide- and triphenylphosphine-ligated Au11 nanocluster, obtaining a cluster with a proposed molecular formula PtAu10(PPh3)7Br3.
View Article and Find Full Text PDFAnal Chim Acta
February 2025
Tianjian Laboratory of Advanced Biomedical Sciences, Institute of Advanced Biomedical Sciences, Henan International Joint Laboratory of Tumor Theranostic Cluster Materials, Henan Key Laboratory of Crystalline Molecular Functional Materials, College of Chemistry, Zhengzhou University, 450001, Zhengzhou, China. Electronic address:
Background: Integrating natural enzymes and nanomaterials exhibiting tailored enzyme-like activities is an effective strategy for the application of cascade reactions. It is essential to develop a highly efficient and robust glucose oxidase-catalase (GOx-CAT) cascade system featuring controllable enzyme activity, a reliable supply of oxygen, and improved stability for glucose depletion in cancer starvation therapy. However, the ambiguous relationship between structure and performance, and the difficulty in controlling enzyme-mimic activity, significantly hinder their broader application.
View Article and Find Full Text PDFEur Heart J Cardiovasc Imaging
January 2025
Vall d'Hebron Research Institute (VHIR), Barcelona, Spain.
Background: Cardiac magnetic resonance (CMR) is essential for diagnosing cardiomyopathy, serving as the gold standard for assessing heart chamber volumes and tissue characterization. Hemodynamic forces (HDF) analysis, a novel approach using standard cine CMR images, estimates energy exchange between the left ventricular (LV) wall and blood. While prior research has focused on peak or mean longitudinal HDF values, this study aims to investigate whether unsupervised clustering of HDF curves can identify clinically significant patterns and stratify cardiovascular risk in non-ischemic LV cardiomyopathy (NILVC).
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