Brownian diffusion of spherical nanoparticles is usually exploited to ascertain the rheological properties of complex media. However, the behavior of the tracer particles is affected by a number of phenomena linked to the interplay between the dynamics of the particles and polymer coils. For this reason, the characteristic lengths of the dispersed entities, depletion phenomena, and the presence of sticking conditions have been observed to affect the translational diffusion of the probes. On the other hand, the retardation effect of the host fluid on the rotational diffusion of nonspherical particles is less understood. We explore the possibility of studying this phenomenon by analyzing the electro-orientation of the particles in different scenarios in which we vary the ratio between the particle and polymer characteristic size, and the geometry of the particles, including both elongated and oblate shapes. We find that the Stokes-Einstein relation only applies if the radius of gyration of the polymer is much shorter than the particle size and when some repulsive interaction between both is present.
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http://dx.doi.org/10.1021/acs.macromol.2c01461 | DOI Listing |
J Phys Chem B
January 2025
Department of Engineering Mechanics, KTH Royal Institute of Technology, 100 44 Stockholm, Sweden.
We here explore confinement-induced assembly of whey protein nanofibrils (PNFs) into microscale fibers using microfocused synchrotron X-ray scattering. Solvent evaporation aligns the PNFs into anisotropic fibers, and the process is followed in situ by scattering experiments within a droplet of PNF dispersion. We find an optimal temperature at which the order parameter of the protein fiber is maximized, suggesting that the degree of order results from a balance between the time scales of the forced alignment and the rotational diffusion of the fibrils.
View Article and Find Full Text PDFJ Magn Reson
January 2025
São Carlos Institute of Physics, University of São Paulo São Carlos São Paulo Brazil.
Among the numerous measurements carried out during a well-logging procedure, the Nuclear Magnetic Resonance (NMR) assessment is one of the fundamental analyses in determining the economic viability of a well for the oil industry. Nowadays, two reliable approaches, Wireline Logging (WL) and Logging While Drilling (LWD), stand out. WL comprises the acquisition of NMR data under static conditions.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Department of Biology, Chemistry and Pharmacy, Freie Universität Berlin, Arnimallee 22, 14195 Berlin, Germany.
This paper presents a grid-based approach to model molecular association processes as an alternative to sampling-based Markov models. Our method discretizes the six-dimensional space of relative translation and orientation into grid cells. By discretizing the Fokker-Planck operator governing the system dynamics via the square-root approximation, we derive analytical expressions for the transition rate constants between grid cells.
View Article and Find Full Text PDFColloids Surf B Biointerfaces
January 2025
State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Jilin, Changchun 130022, PR China; School of Applied Chemistry and Engineering, University of Science and Technology of China, Hefei, Anhui 230026, PR China. Electronic address:
Theories predicted that shear promotes desorption, but due to the presence of factors such as aggregation effects, it is difficult to observe how shear influences the adsorption and desorption of individual protein molecules. In this study, we employed high-throughput single-molecule tracking and molecular dynamics simulations to investigate how shear flow affects the adsorption kinetics of plasma proteins (including human serum albumin, immunoglobulin G, and fibrinogen) at solid-liquid interfaces. Over the studied shear rate range of 0 - 10 s, shear stress did not trigger the protein desorption.
View Article and Find Full Text PDFMolecules
January 2025
Institute of Organic Synthesis and Chemistry of Coal of Kazakhstan Republic, Alikhanov Str., 1, Karaganda 100012, Kazakhstan.
The kinetics of anthracene hydrogenation was studied using the method of equilibrium kinetic analysis. To determine the diffusion-kinetic characteristics, anthracene hydrogenation was performed at different temperatures (648 K, 673 K, 698 K), at a hydrogen pressure of 3 MPa in the presence of a mixture of pyrite (FeS) and aluminum oxide (AlO) taken at a ratio of 1:1. Chromatographic analysis of anthracene hydrogenation products showed the presence of 9,10-dihydroanthracene (DHA), 1,2,3,4-tetrahydroanthracene (THA), methylnaphthalene (MN), naphthalene (H) and other unidentified compounds.
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