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Consistent theoretical description of nuclear spin long-lived states decay under conditions of reversible ligand-protein binding.
J Chem Phys
December 2024
Novosibirsk State University, Novosibirsk 630090, Russia.
Determining the stability constant of the complex formed by an organic ligand with a protein is the first stage in the screening of new drugs. Nuclear spin long-lived states, in particular the singlet state, can be used to study the reversible binding of ligands to proteins. In a complex with a protein, the spins of the ligand interact with the spins of the protein, the system of protein and ligand nuclei can relax by a dipole-dipole mechanism, and the lifetime of the singlet state is strongly reduced.
View Article and Find Full Text PDFRobustness of quantum chaos and anomalous relaxation in open quantum circuits.
Nat Commun
November 2024
TCM Group, Cavendish Laboratory, University of Cambridge, JJ Thomson Avenue, Cambridge, UK.
Dissipation is a ubiquitous phenomenon that affects the fate of chaotic quantum many-body dynamics. Here, we show that chaos can be robust against dissipation but can also assist and anomalously enhance relaxation. We compute exactly the dissipative form factor of a generic Floquet quantum circuit with arbitrary on-site dissipation modeled by quantum channels and find that, for long enough times, the system always relaxes with two distinctive regimes characterized by the presence or absence of gap-closing.
View Article and Find Full Text PDFDynamics of ionic liquids by means of nuclear magnetic resonance relaxation - overview of theoretical approaches.
Phys Chem Chem Phys
November 2024
Ionic Liquid and Solid State Ionics Laboratory, Department of Physics, Banaras Hindu University, Varanasi 221 005, India.
This paper presents a comprehensive overview of the spin relaxation theory needed for exploring nuclear magnetic resonance (NMR) relaxometry to study the dynamical properties of ionic liquids. The term NMR relaxometry refers to relaxation experiments performed over a wide range of magnetic fields (resonance frequencies). In this way, dynamical processes occurring on timescales from milliseconds to nanoseconds can be studied, including translational and rotational dynamics of both types of ions (cations and anions).
View Article and Find Full Text PDFSpin relaxation dynamics with a continuous spin environment: The dissipaton equation of motion approach.
J Chem Phys
October 2024
Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, USA.
We investigate the quantum dynamics of a spin coupling to a bath of independent spins via the dissipaton equation of motion (DEOM) approach. The bath, characterized by a continuous spectral density function, is composed of spins that are independent level systems described by the su(2) Lie algebra, representing an environment with a large magnitude of anharmonicity. Based on the previous work by Suarez and Silbey [J.
View Article and Find Full Text PDFDynamics of magnetization growth and relaxation in ferrofluids.
Phys Rev E
August 2024
School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, Scotland.
The dynamics of the growth and relaxation of the magnetization in ferrofluids are determined using theory based on the Fokker-Planck-Brown equation, and Brownian-dynamics simulations. Magnetization growth starting from an equilibrium nonmagnetized state in zero field, and following an instantaneous application of a uniform field of arbitrary strength, is studied with and without interparticle interactions. Similarly, magnetization relaxation is studied starting from an equilibrium magnetized state in a field of arbitrary strength, and following instantaneous removal of the field.
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