scholarly journals Duality and hidden equilibrium in transport models

2020 ◽  
Vol 9 (4) ◽  
Author(s):  
Rouven Frassek ◽  
Cristian Giardina ◽  
Jorge Kurchan
Keyword(s):  
Free Energy ◽  
Time Reversal ◽  
Large Family ◽  
Equilibrium States ◽  
Transport Models ◽  
Good Opportunity ◽  
The Past ◽  
Non Equilibrium

A large family of diffusive models of transport that have been considered in the past years admit a transformation into the same model in contact with an equilibrium bath. This mapping holds at the full dynamical level, and is independent of dimension or topology. It provides a good opportunity to discuss questions of time reversal in out of equilibrium contexts. In particular, thanks to the mapping one may define the free energy in the non-equilibrium states very naturally as the (usual) free energy of the mapped system.

Conditions for Positive and Negative Correlations Between Fitness and Heterozygosity in Equilibrium Populations

Genetics ◽  
1998 ◽  
Vol 148 (3) ◽  
pp. 1333-1340 ◽  
Author(s):  
Hong-Wen Deng ◽  
Yun-Xin Fu
Keyword(s):  
Single Population ◽  
Positive Correlation ◽  
Genetic Explanation ◽  
Genetic Causes ◽  
The Past ◽  
Fitness Traits ◽  
Genetic Systems ◽  
Positive Correlations ◽  
Non Equilibrium

AbstractThe past decades have witnessed extensive efforts to correlate fitness traits with genomic heterozygosity. While positive correlations are revealed in most of the organisms studied, results of no/negative correlations are not uncommon. There has been little effort to reveal the genetic causes of these negative correlations. The positive correlations are regarded either as evidence for functional overdominance in large, randomly mating populations at equilibrium, or the results of populations at disequilibrium under dominance. More often, the positive correlations are viewed as a phenomenon of heterosis, so that it cannot possibly occur under within-locus additive allelic effects. Here we give exact genetic conditions that give rise to positive and negative correlations in populations at Hardy-Weinberg and linkage equilibria, thus offering a genetic explanation for the observed negative correlations. Our results demonstrate that the above interpretations concerning the positive correlations are not complete or even necessary. Such a positive correlation can result under dominance and potentially under additivity, even in populations where associated overdominance due to linked alleles at different loci is not significant. Additionally, negative correlations and heterosis can co-occur in a single population. Although our emphasis is on equilibrium populations and for biallelic genetic systems, the basic conclusions are generalized to non-equilibrium populations and for multi-allelic situations.

scholarly journals Partition Function and Configurational Entropy in Non-Equilibrium States: A New Theoretical Model

Entropy ◽  
2018 ◽  
Vol 20 (4) ◽  
pp. 218 ◽  
Author(s):  
Akira Takada ◽  
Reinhard Conradt ◽  
Pascal Richet
Keyword(s):  
Theoretical Model ◽  
Partition Function ◽  
Configurational Entropy ◽  
Equilibrium States ◽  
Non Equilibrium

scholarly journals Reversible and Irreversible Potentials and an Inaccuracy in Popular Models in the Fuel Cell Literature

Energies ◽  
2018 ◽  
Vol 11 (7) ◽  
pp. 1851 ◽  
Author(s):  
Uday Chakraborty
Keyword(s):  
Fuel Cell ◽  
Equilibrium States ◽  
Cell Design ◽  
Design And Development ◽  
Load Voltage ◽  
Cell Modeling ◽  
Output Load ◽  
Fuel Cell Modeling ◽  
Non Equilibrium

Modeling is an integral part of fuel cell design and development. This paper identifies a long-standing inaccuracy in the fuel cell modeling literature. Specifically, it discusses an inexact insertion, in popular models, of cell/stack current into Nernst’s equation in the derivation of output (load) voltage. The origin of the inaccuracy is traced to the nature of reversible and irreversible potentials (equilibrium and non-equilibrium states) in the cell. The significance of the inaccuracy is explained in the context of the electrochemistry and thermodynamics of the fuel cell.

Probing the conformational energetics of alkyl thiols on gold surfaces by means of a morphing/steering non-equilibrium tool

2015 ◽  
Vol 17 (12) ◽  
pp. 8038-8052 ◽  
Author(s):  
Andrea Piserchia ◽  
Mirco Zerbetto ◽  
Diego Frezzato
Keyword(s):  
Free Energy ◽  
Gold Surface ◽  
Gold Surfaces ◽  
Jarzynski’S Equality ◽  
Torsion Free ◽  
Non Equilibrium

Jarzynski's equality is applied to compute the torsion free energy, bond-by-bond, for a probe alkyl thiol tethered to a gold surface.

scholarly journals Biocatalysis by Transglutaminases: A Review of Biotechnological Applications

Micromachines ◽  
2018 ◽  
Vol 9 (11) ◽  
pp. 562 ◽  
Author(s):  
Maria Savoca ◽  
Elisa Tonoli ◽  
Adeola Atobatele ◽  
Elisabetta Verderio
Keyword(s):  
Nutritive Value ◽  
Large Family ◽  
Catalytic Triad ◽  
Matrix Proteins ◽  
Primary Amines ◽  
Biotechnological Applications ◽  
Post Translational Modification ◽  
The Past ◽  
Lysine Residues ◽  
Isopeptide Bonds

The biocatalytic activity of transglutaminases (TGs) leads to the synthesis of new covalent isopeptide bonds (crosslinks) between peptide-bound glutamine and lysine residues, but also the transamidation of primary amines to glutamine residues, which ultimately can result into protein polymerisation. Operating with a cysteine/histidine/aspartic acid (Cys/His/Asp) catalytic triad, TGs induce the post-translational modification of proteins at both physiological and pathological conditions (e.g., accumulation of matrices in tissue fibrosis). Because of the disparate biotechnological applications, this large family of protein-remodelling enzymes have stimulated an escalation of interest. In the past 50 years, both mammalian and microbial TGs polymerising activity has been exploited in the food industry for the improvement of aliments’ quality, texture, and nutritive value, other than to enhance the food appearance and increased marketability. At the same time, the ability of TGs to crosslink extracellular matrix proteins, like collagen, as well as synthetic biopolymers, has led to multiple applications in biomedicine, such as the production of biocompatible scaffolds and hydrogels for tissue engineering and drug delivery, or DNA-protein bio-conjugation and antibody functionalisation. Here, we summarise the most recent advances in the field, focusing on the utilisation of TGs-mediated protein multimerisation in biotechnological and bioengineering applications.

scholarly journals Air quality trends in Europe over the past decade: a first multi-model assessment

2011 ◽  
Vol 11 (7) ◽  
pp. 19029-19087 ◽  
Author(s):  
A. Colette ◽  
C. Granier ◽  
Ø. Hodnebrog ◽  
H. Jakobs ◽  
A. Maurizi ◽  
...  
Keyword(s):  
Air Quality ◽  
Management Strategies ◽  
Anthropogenic Emissions ◽  
Model Assessment ◽  
Transport Models ◽  
The Past ◽  
Current State ◽  
Primary Compounds ◽  
Long Term Trend

Abstract. We discuss the capability of current state-of-the-art chemistry and transport models to reproduce air quality trends and inter annual variability. Documenting these strengths and weaknesses on the basis of historical simulations is essential before the models are used to investigate future air quality projections. To achieve this, a coordinated modelling exercise was performed in the framework of the CityZEN European Project. It involved six regional and global chemistry-transport models (Bolchem, Chimere, Emep, Eurad, OsloCTM2 and Mozart) simulating air quality over the past decade in the Western European anthropogenic emissions hotspots. Comparisons between models and observations allow assessing the skills of the models to capture the trends in basic atmospheric constituents (NO2, O3, and PM10). We find that the trends of primary constituents are well reproduced (except in some countries – owing to their sensitivity to the emission inventory) although capturing the more moderate trends of secondary species such as O3 is more challenging. Apart from the long term trend, the modelled monthly variability is consistent with the observations but the year-to-year variability is generally underestimated. A comparison of simulations where anthropogenic emissions are kept constant is also investigated. We find that the magnitude of the emission-driven trend exceeds the natural variability for primary compounds. We can thus conclude that emission management strategies have had a significant impact over the past 10 yr, hence supporting further emission reductions strategies.

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