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investigations on hydrodynamic phonon transport: From diffusion to convection.

Int J Heat Mass Transf

March 2024

Department of Mechanical and Aerospace Engineering, University of California, Los Angeles, CA 90095, United States of America.

In classical theory, heat conduction in solids is regarded as a diffusion process driven by a temperature gradient, whereas fluid transport is understood as convection process involving the bulk motion of the liquid or gas. In the framework of theory, which is directly built upon quantum mechanics without relying on measured parameters or phenomenological models, we observed and investigated the fluid-like convective transport of energy carriers in solid heat conduction. Thermal transport, carried by phonons, is simulated in graphite by solving the Boltzmann transport equation using a Monte Carlo algorithm.

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Purpose: To report a case of bilateral ocular cryptococcosis in an immunocompetent patient without neurologic findings.

Methods: Case report.

Results: A 30-year-old healthy Caucasian man presented with painless blurred vision in the left eye.

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In this study, we present a comprehensive analysis of the motion of a tagged monomer within a Gaussian semiflexible polymer model. We carefully derived the generalized Langevin equation (GLE) that governs the motion of a tagged central monomer. This derivation involves integrating out all the other degrees of freedom within the polymer chain, thereby yielding an effective description of the viscoelastic motion of the tagged monomer.

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Modeling Diffusive Motion of Ferredoxin and Plastocyanin on the PSI Domain of MIT9313.

J Phys Chem B

December 2024

Theoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Visualization, Beckman Institute for Advanced Science and Technology, University of Illinois Urbana─Champaign, Urbana, Illinois 61801-3028, United States.

Diffusion of mobile charge carriers, such as ferredoxin and plastocyanin, often constitutes a rate-determining step in photosynthetic energy conversion. The diffusion time scales typically exceed that of other primary bioenergetic processes and remain beyond the reach of direct simulation at the molecular level. We characterize the diffusive kinetics of ferredoxin and plastocyanin upon the photosystem I-rich domain of , the most abundant phototroph on Earth by mass.

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Dynamic properties of isotropic DMPC/DHPC bicelles: Insights from solution NMR and MD simulations.

Biochem Biophys Res Commun

December 2024

Graduate School of Chemical Sciences and Engineering, Hokkaido University, N13, W8, Sapporo, 060-8628, Japan; Department of Chemistry, Faculty of Science, Hokkaido University, N8, W5, Sapporo, 060-0810, Japan. Electronic address:

Bicelles, an artificial disk-shaped lipid bilayer, are commonly used for the structural and functional characterization of membrane-bound proteins in an environment similar to that in intracellular membranes. Because the dynamics of the lipids that constitute bicelles exert a significant impact on the structure and function of the inserted proteins, we investigated the mobility of lipid molecules in bicelles composed of DMPC (14:0 PC) and DHPC (06:0 PC) using solution NMR and MD calculations. C R relaxation experiments for the acyl groups demonstrated that increasing bicelle sizes limit the rotational diffusion of acyl chain H-C bonds in DMPC.

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