We consider triad dynamics as it was recently considered by Antal [Phys. Rev. E 72, 036121 (2005)] as an approach to social balance. Here we generalize the topology from all-to-all to the regular one of a two-dimensional triangular lattice. The driving force in this dynamics is the reduction of frustrated triads in order to reach a balanced state. The dynamics is parametrized by a so-called propensity parameter p that determines the tendency of negative links to become positive. As a function of p we find a phase transition between different kinds of absorbing states. The phases differ by the existence of an infinitely connected (percolated) cluster of negative links that forms whenever p
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1103/PhysRevE.75.021118 | DOI Listing |
Sci Rep
January 2025
Laboratório de Planejamento e Desenvolvimento de Fármacos, Instituto de Ciências Exatas e Naturais, Universidade Federal do Pará, Belém, Pará, 66075-110, Brazil.
Plastic poses a significant environmental impact due to its chemical resilience, leading to prolonged and degradation times and resulting in widespread adverse effects on global flora and fauna. Cutinases are essential enzymes in the biodegradation process of synthetic polymers like polyethylene terephthalate (PET), which recognized organisms can break down. Here, we used molecular dynamics and binding free energy calculations to explore the interaction of nine synthetic polymers, including PET, with Cutinase from Fusarium oxysporum (FoCut).
View Article and Find Full Text PDFNat Commun
January 2025
Brazilian Biorenewables National Laboratory, Brazilian Center for Research in Energy and Materials, Campinas, SP, Brazil.
Fatty acid peroxygenases have emerged as promising biocatalysts for hydrocarbon biosynthesis due to their ability to perform C-C scission, producing olefins - key building blocks for sustainable materials and fuels. These enzymes operate through non-canonical and complex mechanisms that yield a bifurcated chemoselectivity between hydroxylation and decarboxylation. In this study, we elucidate structural features in P450 decarboxylases that enable the catalysis of unsaturated substrates, expanding the mechanistic pathways for decarboxylation reaction.
View Article and Find Full Text PDFJ Mol Model
January 2025
Shanxi Jiangyang Chemical Limited Company, Taiyuan, 030041, Shanxi, China.
Context: DNAN/DNB cocrystals, as a newly developed type of energetic material, possess superior safety and thermal stability, making them a suitable alternative to traditional melt-cast explosives. Nonetheless, an exploration of the thermal degradation dynamics of the said cocrystal composite has heretofore remained uncharted. Consequently, we engaged the ReaxFF/lg force field modality to delve into the thermal dissociation processes of the DNAN/DNB cocrystal assembly across a spectrum of temperatures, encompassing 2500, 2750, 3000, 3250, and 3500 K.
View Article and Find Full Text PDFHand Surg Rehabil
January 2025
Centre Hospitalier Régional Universitaire de Nîmes, Department of Orthopaedic Surgery, Nîmes, France.
Dynamic compression of the median nerve under the lacertus fibrosus at the elbow causes pain and weakness. It is a frequently overlooked pathology and a cause of failed recovery after carpal tunnel release. The purpose was to present a technical note on minimally invasive ultrasound-guided lacertus syndrome surgical treatment under WALANT.
View Article and Find Full Text PDFDev Comp Immunol
January 2025
State Key Laboratory of Resource Insects, Southwest University, Chongqing 400715, China; Medical Research Institute, Southwest University, Chongqing 400715, China; Jinfeng Laboratory, Chongqing, 401329, China. Electronic address:
Non-coding RNAs (ncRNAs) are composed of nucleotides that do not encode proteins but instead serve as guides. It interacts with amino acids at precise genomic sites, influencing chromatin structure and gene expression. These ncRNAs contribute to numerous inter-species dynamics, including those within the vector-host-pathogen triad.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!