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Stress-induced duplex destabilization (SIDD) profiles for T7 bacteriophage promoters
Computer Research and Modeling, 2018, v. 10, no. 6, pp. 867-878Views (last year): 18.The functioning of DNA regulatory regions rely primarily on their physicochemical and structural properties but not on nucleotide sequences, i.e. ‘genetic text’. The formers are responsible for coding of DNA-protein interactions that govern various regulatory events. One of the characteristics is SIDD (Stress-Induced Duplex Destabilization) that quantify DNA duplex region propensity to melt under the imposed superhelical stress. The duplex property has been shown to participate in activity of various regulatory regions. Here we employ the SIDD model to calculate melting probability profiles for T7 bacteriophage promoter sequences. The genome is characterized by small size (approximately 40 thousand nucleotides) and temporal organization of expression: at the first stage of infection early T7 DNA region is transcribed by the host cell RNA polymerase, later on in life cycle phage-specific RNA polymerase performs transcription of class II and class III genes regions. Differential recognition of a particular group of promoters by the enzyme cannot be solely explained by their nucleotide sequences, because of, among other reasons, it is fairly similar among most the promoters. At the same time SIDD profiles obtained vary significantly and are clearly separated into groups corresponding to functional promoter classes of T7 DNA. For example, early promoters are affected by the same maximally destabilized DNA duplex region located at the varying region of a particular promoter. class II promoters lack substantially destabilized regions close to transcription start sites. Class III promoters, in contrast, demonstrate characteristic melting probability maxima located in the near-downstream region in all cases. Therefore, the apparent differences among the promoter groups with exceptional textual similarity (class II and class III differ by only few singular substitutions) were established. This confirms the major impact of DNA primary structure on the duplex parameter as well as a need for a broad genetic context consideration. The differences in melting probability profiles obtained using SIDD model alongside with other DNA physicochemical properties appears to be involved in differential promoter recognition by RNA polymerases.
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Modeling of a channel wall interaction with an end seal flexibly restrained at the edge
Computer Research and Modeling, 2020, v. 12, no. 2, pp. 387-400The paper proposes a new mathematical model to study the interaction dynamics of the longitudinal wall of a narrow channel with its end seal. The end seal was considered as the edge wall on a spring, i.e. spring-mass system. These walls interaction occurs via a viscous liquid filling the narrow channel; thus required the formulation and solution of the hydroelasticity problem. However, this problem has not been previously studied. The problem consists of the Navier–Stokes equations, the continuity equation, the edge wall dynamics equation, and the corresponding boundary conditions. Two cases of fluid motion in a narrow channel with parallel walls were studied. In the first case, we assumed the liquid motion as the creeping one, and in the second case as the laminar, taking into account the motion inertia. The hydroelasticty problem solution made it possible to determine the distribution laws of velocities and pressure in the liquid layer, as well as the motion law of the edge wall. It is shown that during creeping flow, the liquid physical properties and the channel geometric dimensions completely determine the damping in the considered oscillatory system. Both the end wall velocity and the longitudinal wall velocity affect the damping properties of the liquid layer. If the fluid motion inertia forces were taken into account, their influence on the edge wall vibrations was revealed, which manifested itself in the form of two added masses in the equation of its motion. The added masses and damping coefficients of the liquid layer due to the joint consideration of the liquid layer inertia and its viscosity were determined. The frequency and phase responses of the edge wall were constructed for the regime of steady-state harmonic oscillations. The simulation showed that taking into account the fluid layer inertia and its damping properties leads to a shift in the resonant frequencies to the low-frequency region and an increase in the oscillation amplitudes of the edge wall.
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Assessment of the elite–people interaction in post-soviet countries using the Bayesian approach
Computer Research and Modeling, 2021, v. 13, no. 6, pp. 1233-1247A previously developed model that describes the dynamics of social tension in a society divided into two groups: the elite and the people was considered. This model took into account the impact of economic situation changes and the elite–people interaction. The model has been modified by including in the equation describing the tension of the people, a term that takes into account the adaptation of the people to the current situation.
The model coefficients estimation is an important task, the solution of which allows obtaining information about the nature of the interaction between elite and people. We believe that the solution of the system of model equations with optimal coefficients is closest to the values of the indicator characterizing social tension. We used the normalized level of homicide rate as an indicator of social tension.
The model contains seven coefficients. Two coefficients characterizing the influence of economic situation changes on elite and people are taken equal to each other and the same for all countries. We obtained their estimations using a simplified model that takes into account only the change in the economic situation and allows an analytical solution.
The Bayesian approach was used to estimate the remaining five coefficients of model for post-Soviet countries. The prior probability densities of the four coefficients for all countries under consideration were taken to be the same. The prior probability density of fifth coefficient was considered to depend on the regime of government (authoritarian or «transitional»). We assumed that the calculated tension matches with the corresponding indicator of tension in cases where the difference between them does not exceed 5%.
The calculations showed that for the post-Soviet countries, a good coincidence was obtained between the calculated values of the people tension and the normalized level of homicide rate. The coincidence is satisfactory only on average.
The following main results was obtained at the work: under the influence of some «significant» events in 40% of post-Soviet countries, there was a rapid change in the nature of interaction between the elite and the people; regional feature have some influence on the elite–people interaction; the type of government does not significantly affect the elite–people interaction; the method for assessing the stability of the country by the value of the model coefficients is proposed.
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Monitoring the spread of Sosnowskyi’s hogweed using a random forest machine learning algorithm in Google Earth Engine
Computer Research and Modeling, 2022, v. 14, no. 6, pp. 1357-1370Examining the spectral response of plants from data collected using remote sensing has a lot of potential for solving real-world problems in different fields of research. In this study, we have used the spectral property to identify the invasive plant Heracleum sosnowskyi Manden from satellite imagery. H. sosnowskyi is an invasive plant that causes many harms to humans, animals and the ecosystem at large. We have used data collected from the years 2018 to 2020 containing sample geolocation data from the Moscow Region where this plant exists and we have used Sentinel-2 imagery for the spectral analysis towards the aim of detecting it from the satellite imagery. We deployed a Random Forest (RF) machine learning model within the framework of Google Earth Engine (GEE). The algorithm learns from the collected data, which is made up of 12 bands of Sentinel-2, and also includes the digital elevation together with some spectral indices, which are used as features in the algorithm. The approach used is to learn the biophysical parameters of H. sosnowskyi from its reflectances by fitting the RF model directly from the data. Our results demonstrate how the combination of remote sensing and machine learning can assist in locating H. sosnowskyi, which aids in controlling its invasive expansion. Our approach provides a high detection accuracy of the plant, which is 96.93%.
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Simulation results of field experiments on the creation of updrafts for the development of artificial clouds and precipitation
Computer Research and Modeling, 2023, v. 15, no. 4, pp. 941-956A promising method of increasing precipitation in arid climates is the method of creating a vertical high-temperature jet seeded by hygroscopic aerosol. Such an installation makes it possible to create artificial clouds with the possibility of precipitation formation in a cloudless atmosphere, unlike traditional methods of artificial precipitation enhancement, which provide for increasing the efficiency of precipitation formation only in natural clouds by seeding them with nuclei of crystallization and condensation. To increase the power of the jet, calcium chloride, carbamide, salt in the form of a coarse aerosol, as well as NaCl/TiO2 core/shell novel nanopowder, which is capable of condensing much more water vapor than the listed types of aerosols, are added. Dispersed inclusions in the jet are also centers of crystallization and condensation in the created cloud to increase the possibility of precipitation. To simulate convective flows in the atmosphere, a mathematical model of FlowVision large-scale atmospheric flows is used, the solution of the equations of motion, energy and mass transfer is carried out in relative variables. The statement of the problem is divided into two parts: the initial jet model and the FlowVision large-scale atmospheric model. The lower region, where the initial high-speed jet flows, is calculated using a compressible formulation with the solution of the energy equation with respect to the total enthalpy. This division of the problem into two separate subdomains is necessary in order to correctly carry out the numerical calculation of the initial turbulent jet at high velocity (M > 0.3). The main mathematical dependencies of the model are given. Numerical experiments were carried out using the presented model, experimental data from field tests of the installation for creating artificial clouds were taken for the initial data. A good agreement with the experiment is obtained: in 55% of the calculations carried out, the value of the vertical velocity at a height of 400 m (more than 2 m/s) and the height of the jet rise (more than 600 m) is within an deviation of 30% of the experimental characteristics, and in 30% of the calculations it is completely consistent with the experiment. The results of numerical simulation allow evaluating the possibility of using the high-speed jet method to stimulate artificial updrafts and to create precipitation. The calculations were carried out using FlowVision CFD software on SUSU Tornado supercomputer.
Keywords: artificial clouds, numerical simulation, CFD, artificial precipitation, meteorology, jet, meteotron. -
Two-dimensional modeling of influence on detached supersonic gas flow caused by its turning by means of rapid local heating
Computer Research and Modeling, 2023, v. 15, no. 5, pp. 1283-1300The influence of the process of initiating a rapid local heat release near surface streamlined by supersonic gas (air) flow on the separation region that occurs during a fast turn of the flow was investigated. This surface consists of two planes that form obtuse angle when crossing, so that when flowing around the formed surface, the supersonic gas flow turns by a positive angle, which forms an oblique shock wave that interacts with the boundary layer and causes flow separation. Rapid local heating of the gas above the streamlined surface simulates long spark discharge of submicrosecond duration that crosses the flow. The gas heated in the discharge zone interacts with the separation region. The flow can be considered two-dimensional, so the numerical simulation is carried out in a two-dimensional formulation. Numerical simulation was carried out for laminar regime of flow using the sonicFoam solver of the OpenFOAM software package.
The paper describes a method for constructing a two-dimensional computational grid using hexagonal cells. A study of grid convergence has been carried out. A technique is given for setting the initial profiles of the flow parameters at the entrance to the computational domain, which makes it possible to reduce the computation time by reducing the number of computational cells. A method for non-stationary simulation of the process of rapid local heating of a gas is described, which consists in superimposing additional fields of increased pressure and temperature values calculated from the amount of energy deposited in oncoming supersonic gas flow on the corresponding fields of values obtained in the stationary case. The parameters of the energy input into the flow corresponding to the parameters of the electric discharge process, as well as the parameters of the oncoming flow, are close to the experimental values.
During analyzing numerical simulation data it was found that the initiation of rapid local heating leads to the appearance of a gas-dynamic perturbation (a quasi-cylindrical shock wave and an unsteady swirling flow), which, when interacting with the separation region, leads to a displacement of the separation point downstream. The paper considers the question of the influence of the energy spent on local heating of the gas, and of the position on the streamlined surface of the place of heating relative to the separation point, on the value of its maximum displacement.
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Sensitivity analysis and semi-analytical solution for analyzing the dynamics of coffee berry disease
Computer Research and Modeling, 2024, v. 16, no. 3, pp. 731-753Coffee berry disease (CBD), resulting from the Colletotrichum kahawae fungal pathogen, poses a severe risk to coffee crops worldwide. Focused on coffee berries, it triggers substantial economic losses in regions relying heavily on coffee cultivation. The devastating impact extends beyond agricultural losses, affecting livelihoods and trade economies. Experimental insights into coffee berry disease provide crucial information on its pathogenesis, progression, and potential mitigation strategies for control, offering valuable knowledge to safeguard the global coffee industry. In this paper, we investigated the mathematical model of coffee berry disease, with a focus on the dynamics of the coffee plant and Colletotrichum kahawae pathogen populations, categorized as susceptible, exposed, infected, pathogenic, and recovered (SEIPR) individuals. To address the system of nonlinear differential equations and obtain semi-analytical solution for the coffee berry disease model, a novel analytical approach combining the Shehu transformation, Akbari – Ganji, and Pade approximation method (SAGPM) was utilized. A comparison of analytical results with numerical simulations demonstrates that the novel SAGPM is excellent efficiency and accuracy. Furthermore, the sensitivity analysis of the coffee berry disease model examines the effects of all parameters on the basic reproduction number $R_0$. Moreover, in order to examine the behavior of the model individuals, we varied some parameters in CBD. Through this analysis, we obtained valuable insights into the responses of the coffee berry disease model under various conditions and scenarios. This research offers valuable insights into the utilization of SAGPM and sensitivity analysis for analyzing epidemiological models, providing significant utility for researchers in the field.
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Stochastic transitions from order to chaos in a metapopulation model with migration
Computer Research and Modeling, 2024, v. 16, no. 4, pp. 959-973This paper focuses on the problem of modeling and analyzing dynamic regimes, both regular and chaotic, in systems of coupled populations in the presence of random disturbances. The discrete Ricker model is used as the initial deterministic population model. The paper examines the dynamics of two populations coupled by migration. Migration is proportional to the difference between the densities of two populations with a coupling coefficient responsible for the strength of the migration flow. Isolated population subsystems, modeled by the Ricker map, exhibit various dynamic modes, including equilibrium, periodic, and chaotic ones. In this study, the coupling coefficient is treated as a bifurcation parameter and the parameters of natural population growth rate remain fixed. Under these conditions, one subsystem is in the equilibrium mode, while the other exhibits chaotic behavior. The coupling of two populations through migration creates new dynamic regimes, which were not observed in the isolated model. This article aims to analyze the dynamics of corporate systems with variations in the flow intensity between population subsystems. The article presents a bifurcation analysis of the attractors in a deterministic model of two coupled populations, identifies zones of monostability and bistability, and gives examples of regular and chaotic attractors. The main focus of the work is in comparing the stability of dynamic regimes against random disturbances in the migration intensity. Noise-induced transitions from a periodic attractor to a chaotic attractor are identified and described using direct numerical simulation methods. The Lyapunov exponents are used to analyze stochastic phenomena. It has been shown that in this model, there is a region of change in the bifurcation parameter in which, even with an increase in the intensity of random perturbations, there is no transition from order to chaos. For the analytical study of noise-induced transitions, the stochastic sensitivity function technique and the confidence domain method are used. The paper demonstrates how this mathematical tool can be employed to predict the critical noise intensity that causes a periodic regime to transform into a chaotic one.
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A surrogate neural network model for resolving the flow field in serial calculations of steady turbulent flows with a resolution of the nearwall region
Computer Research and Modeling, 2024, v. 16, no. 5, pp. 1195-1216When modeling turbulent flows in practical applications, it is often necessary to carry out a series of calculations of bodies of similar topology. For example, bodies that differ in the shape of the fairing. The use of convolutional neural networks allows to reduce the number of calculations in a series, restoring some of them based on calculations already performed. The paper proposes a method that allows to apply a convolutional neural network regardless of the method of constructing a computational mesh. To do this, the flow field is reinterpolated to a uniform mesh along with the body itself. The geometry of the body is set using the signed distance function and masking. The restoration of the flow field based on part of the calculations for similar geometries is carried out using a neural network of the UNet type with a spatial attention mechanism. The resolution of the nearwall region, which is a critical condition for turbulent modeling, is based on the equations obtained in the nearwall domain decomposition method.
A demonstration of the method is given for the case of a flow around a rounded plate by a turbulent air flow with different rounding at fixed parameters of the incoming flow with the Reynolds number $Re = 10^5$ and the Mach number $M = 0.15$. Since flows with such parameters of the incoming flow can be considered incompressible, only the velocity components are studied directly. The flow fields, velocity and friction profiles obtained by the surrogate model and numerically are compared. The analysis is carried out both on the plate and on the rounding. The simulation results confirm the prospects of the proposed approach. In particular, it was shown that even if the model is used at the maximum permissible limits of its applicability, friction can be obtained with an accuracy of up to 90%. The work also analyzes the constructed architecture of the neural network. The obtained surrogate model is compared with alternative models based on a variational autoencoder or the principal component analysis using radial basis functions. Based on this comparison, the advantages of the proposed method are demonstrated.
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Comparative analysis of optimization methods for electrical energy losses interval evaluation problem
Computer Research and Modeling, 2013, v. 5, no. 2, pp. 231-239Views (last year): 2. Citations: 1 (RSCI).This article is dedicated to a comparison analysis of optimization methods, in order to perform an interval estimation of electrical energy technical losses in distribution networks of voltage 6–20 kV. The issue of interval evaluation is represented as a multi-dimensional conditional minimization/maximization problem with implicit target function. A number of numerical optimization methods of first and zero orders is observed, with the aim of determining the most suitable for the problem of interest. The desired algorithm is BOBYQA, in which the target function is replaced with its quadratic approximation in some trusted region.
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International Interdisciplinary Conference "Mathematics. Computing. Education"