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Understanding orientational disorder in crystalline assemblies of hard convex polyhedra.
J Chem Phys
November 2024
School of Chemical Sciences, Indian Association for the Cultivation of Science, Kolkata 700032, India.
Spontaneous self-assembly of hard convex polyhedra is known to form orientationally disordered crystalline phases, where particle orientations do not follow the same pattern as the positional arrangement of the crystal. A distinct type of orientational phase with discrete rotational mobility has been reported in hard particle systems. In this paper, we present a new analysis method for characterizing the orientational phase of a crystal, which is based on algorithmic detection of unique orientations.
View Article and Find Full Text PDFSize-Resolved Shape Evolution in Inorganic Nanocrystals Captured via High-Throughput Deep Learning-Driven Statistical Characterization.
ACS Nano
October 2024
National Center for Electron Microscopy, Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.
Article Synopsis
- Precise control over the size and shape of nanocrystals is crucial for their use in industries like catalysis, sensing, and energy conversion, but traditional measurement methods often miss important details about individual nanocrystals.
- This study focuses on CoO nanocrystal synthesis, using deep-learning techniques and high-resolution imaging to explore how different synthetic conditions affect their size and shape evolution at a subnanometer scale.
- Key findings include the identification of growth regime transitions based on nanocrystal size and the introduction of an "onset radius" concept, which helps link the geometric properties of nanocrystals to their material characteristics, paving the way for better applications.
Convex Representation of Metabolic Networks with Michaelis-Menten Kinetics.
Bull Math Biol
April 2024
Université Catholique de Louvain, Louvain-la-Neuve, Belgium.
Polyhedral models of metabolic networks are computationally tractable and can predict some cellular functions. A longstanding challenge is incorporating metabolites without losing tractability. In this paper, we do so using a new second-order cone representation of the Michaelis-Menten kinetics.
View Article and Find Full Text PDFdecomposition of biochemical reaction networks within growing cells.
iScience
January 2024
Department of Chemistry, Texas A&M University, College Station, TX 77843-3255, USA.
This contribution treats linear, steady-state dynamics for a metabolic network within a growing cell. Admissible steady-state reaction fluxes are assumed to form a pointed, convex, polyhedral, conical subset of the stoichiometric null-space. A solution of the problem is defined to consist of a linear basis for the stoichiometric null-space consisting of admissible fluxes called .
View Article and Find Full Text PDFAn artificial protein cage made from a 12-membered ring.
J Mater Chem B
January 2024
Malopolska Centre of Biotechnology, Jagiellonian University, Krakow, Poland.
Artificial protein cages have great potential in diverse fields including as vaccines and drug delivery vehicles. TRAP-cage is an artificial protein cage notable for the way in which the interface between its ring-shaped building blocks can be modified such that the conditions under which cages disassemble can be controlled. To date, TRAP-cages have been constructed from homo-11mer rings, , hendecamers.
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