scholarly journals Cluster-Based Thermodynamics of Interacting Dice in a Lattice

Entropy ◽  
2020 ◽  
Vol 22 (10) ◽  
pp. 1111
Author(s):  
Christoph Mayer ◽  
Thomas Wallek

In this paper, a model for two-component systems of six-sided dice in a simple cubic lattice is developed, based on a basic cluster approach previously proposed. The model represents a simplified picture of liquid mixtures of molecules with different interaction sites on their surfaces, where each interaction site can be assigned an individual energetic property to account for cooperative effects. Based on probabilities that characterize the sequential construction of the lattice using clusters, explicit expressions for the Shannon entropy, synonymously used as thermodynamic entropy, and the internal energy of the system are derived. The latter are used to formulate the Helmholtz free energy that is minimized to determine thermodynamic bulk properties of the system in equilibrium. The model is exemplarily applied to mixtures that contain distinct isomeric configurations of molecules, and the results are compared with the Monte-Carlo simulation results as a benchmark. The comparison shows that the model can be applied to distinguish between isomeric configurations, which suggests that it can be further developed towards an excess Gibbs-energy, respectively, activity coefficient model for chemical engineering applications.

2000 ◽  
Author(s):  
Grigory V. Merkulov ◽  
Valentin M. Ievlev ◽  
Evgeny V. Shvedov ◽  
Vadim P. Ampilogov

2021 ◽  
Vol 21 (1) ◽  
Author(s):  
Sanaz Dehbashi ◽  
Hamed Tahmasebi ◽  
Behrouz Zeyni ◽  
Mohammad Reza Arabestani

Abstract Background Methicillin-resistant Staphylococcus aureus (MRSA)-bloodstream infections (BSI) are predominantly seen in the hospital or healthcare-associated host. Nevertheless, the interactions of virulence factor (VFs) regulators and β-lactam resistance in MRSA-BSI are unclear. This study aims to characterize the molecular relationship of two-component systems of VFs and the expression of the β-lactamase gene in MRSA-BSI isolates. In this study, 639 samples were collected from BSI and identified by phenotypic methods. We performed extensive molecular characterization, including SCCmec type, agr type, VFs gene profiles determinations, and MLST on isolates. Also, a quantitative real-time PCR (q-RT PCR) assay was developed for identifying the gene expressions. Results Ninety-one (91) S. aureus and 61 MRSA (67.0%) strains were detected in BSI samples. The presence of VFs and SCCmec genes in MRSA isolates were as follows: tst (31.4%), etA (18.0%), etB (8.19%), lukS-PVL (31.4%), lukF-PV (18.0%), lukE-lukD (16.3%), edin (3.2%), hla (16.3%), hlb (18.0%), hld (14.7%), hlg (22.9%), SCCmecI (16.3%), SCCmecII (22.9%), SCCmecIII (36.0%), SCCmecIV (21.3%), and SCCmecV (16.3%). Quantitative real-time PCR showed overexpression of mecRI and mecI in the toxigenic isolates. Moreover, RNAIII and sarA genes were the highest expressions of MRSA strains. The multi-locus sequence typing data confirmed a high prevalence of CC5, CC8, and CC30. However, ST30, ST22, and ST5 were the most prevalent in the resistant and toxigenic strains. Conclusion We demonstrated that although regulation of β-lactamase gene expressions is a significant contributor to resistance development, two-component systems also influence antibiotic resistance development in MRSA-BSI isolates. This indicates that resistant strains might have pathogenic potential. We also confirmed that some MLST types are more successful colonizers with a potential for MRSA-BSI.


1989 ◽  
Vol 44 (4) ◽  
pp. 257-261 ◽  
Author(s):  
Sławomir Błonski ◽  
Czesław Bojarski

Abstract Monte Carlo simulations of quantum yield and anisotropy of fluorescence in two-component systems have been conducted with various donor and acceptor concentrations and Förster radii ratios RDAO/RDDO. The influence of excitation migration and trapping on the fluorescence of the viscous solution has been considered. The results of the simulations have shown that steady-state fluorescence of a two-component system depends on the RDAO/RDDO ratio as predicted in LAF theory.


2013 ◽  
Vol 368 (1622) ◽  
pp. 20120260 ◽  
Author(s):  
Sujith Puthiyaveetil ◽  
Iskander M. Ibrahim ◽  
John F. Allen

Photosynthetic electron transport regulates chloroplast gene transcription through the action of a bacterial-type sensor kinase known as chloroplast sensor kinase (CSK). CSK represses photosystem I (PS I) gene transcription in PS I light and thus initiates photosystem stoichiometry adjustment. In cyanobacteria and in non-green algae, CSK homologues co-exist with their response regulator partners in canonical bacterial two-component systems. In green algae and plants, however, no response regulator partner of CSK is found. Yeast two-hybrid analysis has revealed interaction of CSK with sigma factor 1 (SIG1) of chloroplast RNA polymerase. Here we present further evidence for the interaction between CSK and SIG1. We also show that CSK interacts with quinone. Arabidopsis SIG1 becomes phosphorylated in PS I light, which then specifically represses transcription of PS I genes. In view of the identical signalling properties of CSK and SIG1 and of their interactions, we suggest that CSK is a SIG1 kinase. We propose that the selective repression of PS I genes arises from the operation of a gene-regulatory phosphoswitch in SIG1. The CSK-SIG1 system represents a novel, rewired chloroplast-signalling pathway created by evolutionary tinkering. This regulatory system supports a proposal for the selection pressure behind the evolutionary stasis of chloroplast genes.


2004 ◽  
Vol 2004 (10) ◽  
pp. 487-534 ◽  
Author(s):  
M. B. Sheftel

We study point and higher symmetries of systems of the hydrodynamic type with and without an explicit dependence ont,x. We consider such systems which satisfy the existence conditions for an infinite-dimensional group of hydrodynamic symmetries which implies linearizing transformations for these systems. Under additional restrictions on the systems, we obtain recursion operators for symmetries and use them to construct infinite discrete sets of exact solutions of the studied equations. We find the interrelation between higher symmetries and recursion operators. Two-component systems are studied in more detail thann-component systems. As a special case, we consider Hamiltonian and semi-Hamiltonian systems of Tsarëv.


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