The complex zeros of the canonical (fixed walk-length) partition function are calculated for both the self-avoiding trails model and the vertex-interacting self-avoiding walk model, both in bulk and in the presence of an attractive surface. The finite-size behavior of the zeros is used to estimate the location of phase transitions: the collapse transition in the bulk and the adsorption transition in the presence of a surface. The bulk and surface cross-over exponents, ϕ and ϕ S , are estimated from the scaling behavior of the leading partition function zeros.
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http://dx.doi.org/10.3390/e21020153 | DOI Listing |
Cell Rep Phys Sci
November 2024
Program in Computational Biology and Bioinformatics, Yale University, New Haven, CT 06520, USA.
Graph neural networks (GNNs) have emerged as powerful tools for representation learning. Their efficacy depends on their having an optimal underlying graph. In many cases, the most relevant information comes from specific subgraphs.
View Article and Find Full Text PDFDalton Trans
January 2025
Chongqing Key Laboratory of Green Catalysis Materials and Technology, College of Chemistry, Chongqing Normal University, Chongqing 401331, China.
A deeper understanding of the mechanisms underlying transition metal-catalyzed transformation is crucial for developing innovative strategies to synthesize chiral organoselenium compounds. In this study, we developed and investigated a three-layer chirality relay model for the rhodium-catalyzed asymmetric hydroselenation of alkenes through density functional theory (DFT) calculations. In the back layer of this model, the four bulky substituents on the phosphorus atom of the bidentate chiral MeO-BIPHEP ligand were positioned on axial and equatorial bonds, thereby influencing the configuration of the middle layer.
View Article and Find Full Text PDFExp Physiol
January 2025
Oxford Centre for Diabetes, Endocrinology and Metabolism, University of Oxford, Oxford, UK.
In health, the liver is a metabolically flexible organ that plays a key role in regulating systemic lipid and glucose concentrations. There is a constant flux of fatty acids (FAs) to the liver from multiple sources, including adipose tissue, dietary, endogenously synthesized from non-lipid precursors, intrahepatic lipid droplets and recycling of triglyceride-rich remnants. Within the liver, FAs are used for triglyceride synthesis, which can be oxidized, stored or secreted in very low-density lipoproteins into the systemic circulation.
View Article and Find Full Text PDFMolecules
January 2025
Department of Medical Biosciences, Faculty of Life Sciences, Ritsumeikan University, Kusatsu 525-8577, Shiga, Japan.
Traditional Japanese medicines, i.e., Kampo medicines, consist of crude drugs (mostly plants) that have empirical pharmacological functions ('' in Japanese), such as clearing heat.
View Article and Find Full Text PDFInt J Mol Sci
January 2025
Department of Life Sciences, Ben Gurion University of the Negev, Beer-Sheva 8410501, Israel.
Phenotypic variability in isogenic bacterial populations is a remarkable feature that helps them cope with external stresses, yet it is incompletely understood. This variability can stem from gene expression noise and/or the unequal partitioning of low-copy-number freely diffusing proteins during cell division. Some high-copy-number components are transiently associated with almost immobile large assemblies (hyperstructures) and may be unequally distributed, contributing to bacterial phenotypic variability.
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