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An amplification mechanism for weak ELF magnetic fields quantum-bio effects in cancer cells.
Sci Rep
January 2025
Institute of Biochemistry and Biophysics, University of Tehran, Tehran, Iran.
Observing quantum mechanical characteristics in biological processes is a surprising and important discovery. One example, which is gaining more experimental evidence and practical applications, is the effect of weak magnetic fields with extremely low frequencies on cells, especially cancerous ones. In this study, we use a mathematical model of ROS dynamics in cancer cells to show how ROS oscillatory patterns can act as a resonator to amplify the small effects of the magnetic fields on the radical pair dynamics in mitochondrial Complex III.
View Article and Find Full Text PDFSimulation of 24,000 Electron Dynamics: Real-Time Time-Dependent Density Functional Theory (TDDFT) with the Real-Space Multigrids (RMG).
J Chem Theory Comput
January 2025
Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-8202, United States.
We present the theory, implementation, and benchmarking of a real-time time-dependent density functional theory (RT-TDDFT) module within the RMG code, designed to simulate the electronic response of molecular systems to external perturbations. Our method offers insights into nonequilibrium dynamics and excited states across a diverse range of systems, from small organic molecules to large metallic nanoparticles. Benchmarking results demonstrate excellent agreement with established TDDFT implementations and showcase the superior stability of our time integration algorithm, enabling long-term simulations with minimal energy drift.
View Article and Find Full Text PDFLight-Harvesting Spin Hyperpolarization of Organic Radicals in a Metal-Organic Framework.
J Am Chem Soc
January 2025
Department of Chemistry, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan.
Light-driven spin hyperpolarization of organic molecules is a crucial technique for spin-based applications such as quantum information science (QIS) and dynamic nuclear polarization (DNP). Synthetic chemistry provides the design of spins with atomic precision and enables the scale-up of individual spins to hierarchical structures. The high designability and extended pore structure of metal-organic frameworks (MOFs) can control interactions between spins and guest molecules.
View Article and Find Full Text PDFModulating Electronic Spin State of Perovskite Fluoride by Ni─F─Mn Bond Activating the Dynamic Site of Oxygen Reduction Reaction.
Small
January 2025
Beijing Key Laboratory of Energy Conversion and Storage Materials, College of Chemistry, Beijing Normal University, Beijing, 100875, P. R. China.
Establishing the relationship between catalytic performance and material structure is crucial for developing design principles for highly active catalysts. Herein, a type of perovskite fluoride, NHMnF, which owns strong-field coordination including fluorine and ammonia, is in situ grown on carbon nanotubes (CNTs) and used as a model structure to study and improve the intrinsic catalytic activity through heteroatom doping strategies. This approach optimizes spin-dependent orbital interactions to alter the charge transfer between the catalyst and reactants.
View Article and Find Full Text PDFBuffer-Less Gallium Nitride High Electron Mobility Heterostructures on Silicon.
Adv Mater
January 2025
Department of Materials Science and Metallurgy, University of Cambridge, Cambridge, CB3 0FS, UK.
Thick metamorphic buffers are considered indispensable for III-V semiconductor heteroepitaxy on large lattice and thermal-expansion mismatched silicon substrates. However, III-nitride buffers in conventional GaN-on-Si high electron mobility transistors (HEMT) impose a substantial thermal resistance, deteriorating device efficiency and lifetime by throttling heat extraction. To circumvent this, a systematic methodology for the direct growth of GaN after the AlN nucleation layer on six-inch silicon substrates is demonstrated using metal-organic vapor phase epitaxy (MOVPE).
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