The diffusion properties from diffusion tensor imaging (DTI) are sensitive to white matter (WM) abnormalities and could serve as indicators of diffuse axonal damages incurred during a traumatic brain injury (TBI). Analyses of diffusion metrics in the regions of interest (ROIs) were used to compare the differences in the 18 major fiber tracts in 46 participants, between TBI participants with (n = 17) or without (n = 16) chronic symptoms (CS) and a control group (CG, n = 13). In addition to the widely used diffusion metrics, such as fractional anisotropy (FA), mean (MD), axial (AD) and radial (RD) diffusivities, apparent fiber density (AFD), complexity (CX) and fixel number (FN) derived from Mrtrix3 software package were used to characterize WM tracts and compare between participant groups in the ROIs defined by the fixel numbers. Significant differences were found in FA, AFD, MD, RD and CX in ROIs with different FNs in the corpus callosum forceps minor, left and right inferior longitudinal fasciculus, and left and right uncinate fasciculus for both TBI groups compared to controls. Diffusion properties in ROIs with different FNs can serve as detailed biomarkers of WM abnormalities, especially for individuals with chronic TBI related symptoms.
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http://dx.doi.org/10.1016/j.neures.2023.01.009 | DOI Listing |
Chem Sci
December 2024
State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China
The altered solvation structures and dynamical properties of water molecules at the metal/water interfaces will affect the elementary step of an electrochemical process. Simulating the interfacial structure and dynamics with a realistic representation will provide us with a solid foundation to make a connection with experimental studies. To surmount the accuracy-efficiency tradeoff and provide dynamical insights, we use state-of-the-art machine learning molecular dynamics (MLMD) to study the water exchange dynamics, which are fundamental to adsorption/desorption and electrochemical reaction steps.
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January 2025
Centre for Molecular and Materials Science, TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3, Canada.
This paper describes muon spin spectroscopy studies of 12-phosphatetraphene stabilized by a peri-trifluoromethyl group and a meso-aryl substituent. Even though the prepared solution in tetrahydrofuran (THF) was quite dilute (0.060 M) for transverse-field muon spin rotation (TF-µSR) measurements, the π-extended heavier congener of tetraphene presented a pair of signals due to a muoniated radical from which the muon hyperfine coupling constant (hfc) was determined.
View Article and Find Full Text PDFJ Mol Model
January 2025
Department of Chemistry, Birla Institute of Technology and Science Pilani - K. K. Birla Goa Campus, Zuarinagar, 403726, Goa, India.
Context: There has been growing interest in amino acid ionic liquids because of their low-cost synthesis and superior biodegradability and biocompatibility compared to traditional ionic liquids. In this study, we have investigated the structure and dynamics of three ionic liquids consisting of N-butyl N-methyl piperidinium [Pip] cation with amino acid (lysine [Lys], histidine [His], and arginine [Arg]) anions. The radial distribution functions, the spatial distribution functions, and the coordination numbers have been used to analyze the structure in the bulk phase.
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January 2025
Department of Physical Chemistry, Faculty of Chemistry, University of Tabriz, Tabriz, Iran.
The present investigation seeks to customize the optical, magnetic, and structural characteristics of nickel oxide (NiO) nanopowders through chromium, iron, cobalt, copper, and zinc doping to enhance optoelectronic applications. In this regard, the preparation of pristine NiO and Ni × O (X = Cr, Fe, Co, Cu, and Zn) powders was successfully achieved through the co-precipitation method. The X-ray powder diffraction was employed to examine the prepared powders' phase formation and crystal structure characteristics.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Moscow Center for Advanced Studies, Moscow, Russia.
The properties of the hydrogen fluid at high pressures are still of interest to the scientific community. The experimentally unreachable dynamical properties could provide new insights into this field. In 2020 [Cheng et al.
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