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Glassy dynamics is intermittent, as particles suddenly jump out of the cage formed by their neighbors, and heterogeneous, as these jumps are not uniformly distributed across the system. Relating these features of the dynamics to the diverse local environments explored by the particles is essential to rationalize the relaxation process. Here we investigate this issue characterizing the local environment of a particle with the amplitude of its short time vibrational motion, as determined by segmenting in cages and jumps the particle trajectories. Both simulations of supercooled liquids and experiments on colloidal suspensions show that particles in large cages are likely to jump after a small time-lag, and that, on average, the cage enlarges shortly before the particle jumps. At large time-lags, the cage has essentially a constant size, which is smaller for longer-lasting cages. Finally, we clarify how this coupling between cage size and duration controls the average behavior and opens the way to a better understanding of the relaxation process in glass-forming liquids.
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http://dx.doi.org/10.1021/acs.jpclett.7b00187 | DOI Listing |
Angew Chem Int Ed Engl
September 2025
Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow, G1 1RX, UK.
Porous metal-organic polyhedra (MOPs) have strong covalent and coordinate bonds that define the intrinsic pore of the cage. The intermolecular interactions between cages tend to be weaker, such that they rearrange during the solvent exchange process preceding gas sorption measurements. The reduction in crystal size that this often causes limits the availability of structural data that could enable understanding of observed gas uptake.
View Article and Find Full Text PDFJ Phys Chem A
September 2025
School of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715, China.
Five geometrically similar dysprosium-based endohedral metallofullerenes (Dy-EMF), single-molecule magnets, namely, DyScN@C-D, DyScN@C-D, DyScN@C-D, DyScN@C-D, and DyScN@C-D, are investigated using DFT and CASSCF methods. Energy decomposition analysis reveals that the interaction between the endohedral cluster and the cage is predominantly electrostatic and is weakened sequentially as the cage size increases. The ground states of these molecules are all stabilized as |±15/2>, with magnetic reversal barriers ranging from 999.
View Article and Find Full Text PDFOrg Biomol Chem
September 2025
Beijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Molecular Recognition and Function, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, China.
Recent studies on selective anion recognition employing covalent organic cage hosts are reviewed. Cage-like host molecules with convergent anion binding sites (positively charged or neutral moieties), including protonated azacryptands, prism-like cages, tetrahedral cages, and more complex cage structures, are demonstrated. We focus on anion selectivity as described by comparison binding constants between hosts and anions in solution, and examine the factors affecting anion selectivity in terms of multiple and cooperative non-covalent interactions, shape complementarity, and size matching between hosts and anions.
View Article and Find Full Text PDFJ Cachexia Sarcopenia Muscle
October 2025
Advanced Technology Center for Aging Research and Geriatric Mouse Clinic, IRCCS INRCA, Ancona, Italy.
Background: Grip strength is a key functional marker of musculoskeletal aging, widely used to assess sarcopenia. In preclinical research, multiple measurement methods are often combined to enhance reliability, but standardization remains challenging. To improve measurement robustness, we previously developed a composite strength score (SS5) that integrates five different grip strength tests into a single variable.
View Article and Find Full Text PDFSpine (Phila Pa 1976)
August 2025
Department of Orthopedics, The First Affiliated Hospital of Anhui Medical University, Hefei, China.
Study Design: Prospective randomized controlled trial.
Objectives: This study aimed to evaluate the subsidence rates of anterior cervical discectomy and fusion (ACDF) using polyetheretherketone (PEEK) cages with different window sizes.
Summary Of Background Data: PEEK cages used for ACDF procedures typically come with windows designed for filling with bone graft material.