We report a molecular dynamics study of the collective dynamics of a simple monatomic liquid--interacting through a two-body potential that mimics that of lithium--across the liquid-glass transition. In the glassy phase we find evidences of a fast relaxation process similar to that recently found in Lennard-Jones glasses. The origin of this process is ascribed to the topological disorder, i.e., to the dephasing of the different momentum Q Fourier components of the actual normal modes of vibration of the disordered structure. More important, we find that the fast relaxation persists in the liquid phase with almost no temperature dependence of its characteristic parameters (strength and relaxation time). We conclude, therefore, that in the liquid phase well above the melting point, at variance with the usual assumption of uncorrelated binary collisions, the short time particle motion is strongly correlated and can be described via a normal mode expansion of the atomic dynamics.
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http://dx.doi.org/10.1103/PhysRevE.66.031205 | DOI Listing |
Alzheimers Dement
December 2024
School of Public Health, the Second Affiliated Hospital of School of Medicine, Zhejiang University, Hangzhou, Zhejiang, China.
Background: Oxygen extraction fraction (OEF) reflects the equilibrium between brain oxygen delivery and consumption, potentially serving as an early Alzheimer's disease (AD) biomarker. Previous investigations were mainly conducted in cognitive impairment and AD population. However, the potential neuropathway connecting cardiometabolic condition, OEF, and dementia-related brain structural changes, especially in early cognitive decline, is unclear.
View Article and Find Full Text PDFAlzheimers Dement
December 2024
German Center for Neurodegenerative Diseases (DZNE), site Rostock/Greifswald, Greifswald, Mecklenburg-Vorpommern, Germany.
Background: Given that the majority of people with dementia live in their homes in the community and are primarily cared for by informal caregivers, there is a growing interest in developing interventions suitable for this setting. Further, it is important to establish how music selections can differentially affect PwD. In this pilot trial, we thus compare two caregiver-delivered music listening MBIs with care-as-usual.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Department of Chemistry, Queen's University, 90 Bader Lane, Kingston, Ontario K7L 3N6, Canada.
We report a new NMR method for treating two-site chemical exchange involving half-integer quadrupolar nuclei in a solution. The new method was experimentally verified with extensive Na ( = 3/2), K ( = 3/2), and Rb ( = 3/2) NMR results from alkali metal ions (Na, K, and Rb) in a solution over a wide range of molecular tumbling conditions. In the fast-motion limit, all allowed single-quantum NMR transitions for a particular quadrupolar nucleus are degenerate giving rise to one Lorentzian signal.
View Article and Find Full Text PDFNMR Biomed
February 2025
MR Methodology, Department for Diagnostic and Interventional Neuroradiology, University of Bern, Bern, Switzerland.
The purpose of this study was to produce metabolite-specific T and concentration maps in a clinically compatible time frame. A multi-TE 2D MR spectroscopic imaging (MRSI) experiment (multi-echo single-shot MRSI [MESS-MRSI]) deployed truncated and partially sampled multi-echo trains from single scans and was combined with simultaneous multiparametric model fitting. It was tested in vivo for the brain in five healthy subjects.
View Article and Find Full Text PDFInorg Chem
January 2025
School of Chemistry and Chemical Engineering, Northwestern Polytechnical University, Xi'an 710072, P. R. China.
Air-stable single-molecule magnets (SMMs) can be obtained by confining Dy ion in a coordination environment; however, most of the current efforts were focused on modifying the rigidity of the macrocycle ligand. Herein, we attempt to assemble air-stable SMMs based on macrocycles with a replaceable coordination site. By using an in situ 1 + 1 Schiff-base reaction of dialdehyde with diamine, three air-stable SMMs have been obtained in which one of the equatorial coordination sites can be varied from -NH- (for ), -O- (for ), and -NMe- (for ).
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