We report a straightforward, model-free approach for measuring pair potentials from particle-coordinate data, based on enforcing consistency between the pair distribution function measured separately by the distance-histogram and test-particle insertion routes. We demonstrate the method's accuracy and versatility in simulations of simple fluids, before applying it to an experimental system composed of superparamagnetic colloidal particles. The method will enable experimental investigations into many-body interactions and allow for effective coarse graining of interactions from simulations.
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http://dx.doi.org/10.1103/PhysRevLett.123.098002 | DOI Listing |
Phys Chem Chem Phys
January 2025
Magnetic Resonance Center (CERM), University of Florence, via Luigi Sacconi 6, Sesto Fiorentino, 50019, Italy.
The function of biomolecular systems, including biological macromolecules, often crucially depends on their dynamics. Nuclear magnetic resonance (NMR) is one of the most informative methods used to study biomolecules and their internal mobility, with atomic resolution, in near-physiological conditions. NMR relaxation profiles, obtained from the field dependence of the nuclear relaxation rates, in particular, offer the possibility to probe dynamic processes over a wide range of time scales.
View Article and Find Full Text PDFProc Natl Acad Sci U S A
December 2024
Department of Ecology and Evolutionary Biology, Yale University, New Haven, CT 06520.
Phages, viruses of bacteria, play a pivotal role in Earth's biosphere and hold great promise as therapeutic and diagnostic tools in combating infectious diseases. Attachment of phages to bacterial cells is a crucial initial step of the interaction. The classic assay to quantify the dynamics of phage attachment involves coculturing and enumeration of bacteria and phages, which is laborious, lengthy, hence low-throughput, and only provides ensemble estimates of model-based adsorption rate constants.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Universite de Lyon, CNRS, UCB Lyon1, Institut des Sciences Analytiques, UMR5280, Villeurbanne, France.
The emergence of very high NMR magnetic fields will certainly encourage the study of larger biological systems with their dynamics and interactions. NMR spin relaxation allows probing the dynamical properties of proteins where the N longitudinal () and transverse () relaxation rates in addition to the H-N heteronuclear NOE describe the ps-ns time scale. Their analytical representation involves the chemical shift anisotropy (CSA) effect that represents the major contribution at a very high magnetic field above 18.
View Article and Find Full Text PDFHeliyon
September 2024
Department of Mechatronics Engineering, Rajshahi University of Engineering & Technology, Rajshahi 6204, Bangladesh.
The next generation of autonomous-legged robots will herald a new era in the fields of manufacturing, healthcare, terrain exploration, and surveillance. We can expect significant progress in a number of industries, including inspection, search and rescue, elderly care, workplace safety, and nuclear decommissioning. Advanced legged robots are built with a state-of-the-art architecture that makes use of stereo vision and inertial measurement data to navigate unfamiliar and challenging terrains.
View Article and Find Full Text PDFAddict Behav Rep
December 2024
Laboratoire de Psychologie Médicale et d'Addictologie, Université Libre de Bruxelles (ULB), place Van Gehuchten 4, 1020 Brussels, Belgium.
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