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Electrostatically tuning radical addition and atom abstraction reactions with distonic radical ions.
Chem Sci
January 2025
Molecular Horizons and School of Chemistry and Molecular Bioscience, University of Wollongong Wollongong New South Wales 2522 Australia
Although electrostatic catalysis can enhance the kinetics and selectivity of reactions to produce greener synthetic processes, the highly directional nature of electrostatic interactions has limited widespread application. In this study, the influence of oriented electric fields (OEF) on radical addition and atom abstraction reactions are systematically explored with ion-trap mass spectrometry using structurally diverse distonic radical ions that maintain spatially separated charge and radical moieties. When installed on rigid molecular scaffolds, charged functional groups lock the magnitude and orientation of the internal electric field with respect to the radical site, creating an OEF which tunes the reactivity across the set of gas-phase carbon-centred radical reactions.
View Article and Find Full Text PDFHealthy aging changes in conventional frequency bands of neuroelectric brain activity reconstructed from resting-state MEG.
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Keldysh Institute of Applied Mathematics, Russian Academy of Sciences, Moscow, 125047, Russia.
Age-related dependencies of electric and spectral powers in conventional frequency bands were studied by the newly proposed method of detailed spectral analysis. The magnetic encephalograms (MEG) and magnetic resonance images (MRI) of the head were obtained from the open archive Cam-CAN. The spatial distributions of elementary spectral components (MEG-based functional tomograms) were reconstructed from MEG for 501 subjects (248 males and 253 females, ages 18-88 years, mean age 54.
View Article and Find Full Text PDFThe mobility of polypeptide chains in cow femur bones controlled by an electric field.
Phys Chem Chem Phys
January 2025
CONICET-UNR, Laboratorio de Materiales (LEIM), Escuela de Ingeniería Eléctrica, Centro de Tecnología e Investigación Eléctrica (CETIE), Facultad de Ciencias Exactas, Ingeniería y Agrimensura, Avda. Pellegrini 250, 2000 Rosario, Argentina.
The influence on the mobility of polypeptide chains caused by strain misfit due to molecular electric dipole distortions under applied electric fields up to 769 kV m, in cow cortical femur samples annealed at 373 K, 423 K, and 530 K, is determined. The behaviour of strain misfit as a function of the electric field strength is determined from a mean-field model based on the Eshelby theory. In addition, Friedel's model for describing the mobility of dislocations in continuum media has been modified to determine the interaction energy between electrically generated obstacles and the polypeptide chains.
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Nano Lett
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School of Materials and Energy or Electron Microscopy Centre of Lanzhou University, Lanzhou University, Lanzhou 730000, P. R. China.
The electric dipole in materials is closely associated with their electronic transport, optical properties, and mechanical behavior. Here, we have employed the differential phase contrast (DPC) technique of the scanning transmission electron microscopy technique (STEM) to directly analyze the local electric dipole at the sub-Angstrom scale. By utilizing DPC-STEM technology, we successfully visualized the ferroelectric polarization of van der Waals material 3R α-InSe and directly confirmed the dipole interlocking effect (DIE) between in-plane (IP) and out-of-plane (OOP) polarizations.
View Article and Find Full Text PDFDipole-Modulated Carrier Dynamics and Charge Transport Behavior of Ligand-Protected Metal Chalcogenide Nanoclusters.
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Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024, China.
Atomically precise nanoclusters, distinguished by their unique nuclearity- and structure-dependent properties, hold great promise for applications of energy conversion and electronic transport. However, the relationship between ligands and their properties remains a mystery yet to be unrevealed. Here, the influence of ligands on the electronic structures, optical properties, excited-state dynamics, and transport behavior of ReS dimer clusters with different ligands is explored using density functional theory combined with time-domain nonadiabatic molecular dynamic simulations.
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