scholarly journals Equilibrium Time, Permutation, Multiscale and Modified Multiscale Entropies for Low-High Infection Level Intracellular Viral Reaction Kinetics

Author(s):  
Farid Taherkhani

Abstract Kinetics Monte Carlo simulation has been done for solving Master equation for intracellular viral reaction kinetics. There is scaling relationship between reaction equilibrium time and initial population of template species in intracellular viral reaction kinetics. Kinetics Monte Carlo result shows that mathematical presentation between initial population of template species and reaction equilibrium time is f eq time (N) = aNb (a = 163.1, b = -0.1429 ), where N , feq time(N) are initial population of template species and reaction equilibrium time respectively. Kinetics Monte Carlo shows that increasing initial population of template species decreases the reaction equilibrium time. Initial population for template species with range 1 ≤Temp ≤ 4; Temp=5; 6 ≤Temp ≤10 are called low, medium and high infection level in intracellular viral kinetics reaction respectively. Entropy generation has been considered in low, intermediate and high infection level of intracellular viral reaction kinetics in during dynamical population. Permutation, multiscaling and modified multiscaling entropies have been calculated for species, genome, structural protein, and template species. Dependency of permutation entropy on permutation order is small in high infection level. At short time scale, convergency of permutation entropy occurs with medium permutation order value. In the big time scale, permutation entropy H(n) scales with permutation order n as a scaling relation H (n )=nα (α =0.30) . Three different trends for low, medium and high infection level observed for multiscaling entropy of template species versus scaling factor. Nonmonotonic behavior for permutation entropy versus time could be observed for structural protein species.

2021 ◽  
Author(s):  
Faezeh Ghasemnezhad ◽  
Ommolbanin Bazrafshan ◽  
Mehdi Fazeli ◽  
Mohammad Parvinnia ◽  
Vijay Singh

Abstract Standardized Runoff Index (SRI), as one of the well-known hydrological drought indices, may contain uncertainties caused by the employment of the distribution function, time scale, and record length of statistical data. In this study, the uncertainty in the SRI estimation of monthly discharge data of 30 and 49 year length from Minab dam watershed, south of Iran, was investigated. Four probability distribution functions (Gamma, Weibull, Lognormal, and Normal) were used to fit the cumulative discharge data at 3, 6. 9, 12, 24 and 48 month time scales, with their goodness-of-fit and normality evaluated by K-S and normality tests, respectively. Using Monte-Carlo sampling, 50,000 statistical data were generated for each event and each time scale, followed by 95% confidence interval. The width of the confidence interval was used as uncertainty and sources of uncertainty were investigated using miscellaneous factors. It was found that the maximum uncertainty was related to normal and lognormal distributions and the minimum uncertainty to gamma and Weibull distributions. Further, the increase in both time scale and record length led to the decrease in uncertainty.


Author(s):  
Vytautas Ruzgas ◽  
Žilvinas Liatukas

Response of Lithuanian Winter Wheat Advanced Lines to Common Bunt (Tilletia tritici (BJERK.) WINT) The study was carried out at the Lithuanian Institute of Agriculture in an artificially inoculated nursery during 2006-2007. Resistance to common bunt in 2006 was tested for 71, in 2007 for 118 breeding lines of Lithuanian winter wheat from the competitive trial nursery. Additionally, 148 promising lines were selected and tested from the check nursery, which possessed some resistance in their pedigree ancestors. The average disease incidence in 2006 and 2007 was 80.9 and 63.5%, respectively. The very high infection level highlighted the genotypes with the most effective resistance under conditions highly favourable for common bunt. There were no lines without infected ears. Among the 29 breeding lines tested in the two years, two lines Bill/Aspirant and Dream/Lut.9329 were infected the least, 17.2% and 1.9% in 2006 and 18.5% and 7.8% in 2007, respectively. Most of the breeding lines were highly susceptible. Lines with disease incidence over 50% accounted for over 90% in 2006 and 80% in 2007 of the total lines tested. The most resistant lines had in their pedigrees the following resistance sources: genotypes Bill, Lut.9329, Strumok, Lut.9313, Lut.9358, Tommi as well as Dream, Haldor, 91002G2.1, 96/101, Bezenchiukskaya380.


2001 ◽  
Vol 677 ◽  
Author(s):  
Graeme Henkelman ◽  
Hannes Jónsson

We have carried out long time scale simulations where the “dimer method” [G. Henkelman and H. Jónsson, J. Chem. Phys. 111, 7010 (1999)] is used to find the mechanism and estimate the rate of transitions within harmonic transition state theory and time is evolved by using the kinetic Monte Carlo method. Unlike traditional applications of kinetic Monte Carlo, the atoms are not assigned to lattice sites and a list of all possible transitions does not need to be specified beforehand. Rather, the relevant transitions are found on the y during the simulation. An application to the diffusion and island formation of Al adatoms on an Al(100) surface is presented.


2019 ◽  
Vol 21 (24) ◽  
pp. 13258-13267 ◽  
Author(s):  
Jian-Bo Wu ◽  
Shu-Jia Li ◽  
Hong Liu ◽  
Hu-Jun Qian ◽  
Zhong-Yuan Lu

We used the hybrid molecular dynamics–Monte Carlo (MD–MC) algorithm to establish a molecular dynamics model that can accurately reflect bond exchange reactions, and reveal the intrinsic mechanism of the dynamic behavior of the vitrimer system.


2012 ◽  
Vol 85 (13) ◽  
Author(s):  
Maarten J. Mees ◽  
Geoffrey Pourtois ◽  
Erik C. Neyts ◽  
Barend J. Thijsse ◽  
André Stesmans

2017 ◽  
Vol 89 (13) ◽  
pp. 7022-7030 ◽  
Author(s):  
Justin M. Di Trani ◽  
Nicolas Moitessier ◽  
Anthony K. Mittermaier

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