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Spatial correlation of desorption events accelerates water exchange dynamics at Pt/water interfaces.
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.
View Article and Find Full Text PDFStrategies to prevent postoperative delirium: a comprehensive evaluation of anesthesia selection and drug intervention.
Front Psychiatry
December 2024
Department of Orthopedics, The Second Hospital of Anhui Medical University, Hefei, China.
Postoperative delirium (POD) represents a common neurological complication encountered predominantly among the elderly cohort undergoing surgical intervention for hip fractures. This phenomenon, particularly commonplace in geriatric populations with heightened preoperative risk profiles, pronounced comorbidities, and later stages of lifespan, poses complex clinical challenges. The impact of perioperative pharmacological interventions and anesthetic strategies on POD's emergence cannot be understated, as it may profoundly affect the length of hospital stays, rehabilitation milestones, and the overall mortality hazard.
View Article and Find Full Text PDFPriority actions for Fusarium head blight resistance in durum wheat: Insights from the wheat initiative.
Plant Genome
March 2025
CREA - Research Centre for Genomics and Bioinformatics, Fiorenzuola d'Arda (PC), Italy.
Fusarium head blight (FHB), mainly caused by Fusarium graminearum and Fusarium culmorum, is a major wheat disease. Significant efforts have been made to improve resistance to FHB in bread wheat (Triticum aestivum), but more work is needed for durum wheat (Triticum turgidum spp. durum).
View Article and Find Full Text PDFFast EEG/MEG BEM-based forward problem solution for high-resolution head models.
Neuroimage
January 2025
Dept. of Electrical and Computer Engineering, Worcester Polytechnic Institute, Worcester, MA, USA.
A fast BEM (boundary element method) based approach is developed to solve an EEG/MEG forward problem for a modern high-resolution head model. The method utilizes a charge-based BEM accelerated by the fast multipole method (BEM-FMM) with an adaptive mesh pre-refinement method (called b-refinement) close to the singular dipole source(s). No costly matrix-filling or direct solution steps typical for the standard BEM are required; the method generates on-skin voltages as well as MEG magnetic fields for high-resolution head models within 90 s after initial model assembly using a regular workstation.
View Article and Find Full Text PDFIConDiffNet: an unsupervised inverse-consistent diffeomorphic network for medical image registration.
Phys Med Biol
January 2025
Washington University in Saint Louis, 1 Brooking Dr., Saint Louis, Missouri, 63130, UNITED STATES.
This paper introduces a novel unsupervised inverse-consistent diffeomorphic registration network termed IConDiffNet, which incorporates an energy constraint that minimizes the total energy expended during the deformation process. The IConDiffNet architecture consists of two symmetric paths, each employing multiple recursive cascaded updating blocks (neural networks) to handle different virtual time steps parameterizing the path from the initial undeformed image to the final deformation. These blocks estimate velocities corresponding to specific time steps, generating a series of smooth time-dependent velocity vector fields.
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