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The possibility of numerical 3D simulation of thrombi formation is considered.

The developed up to now detailed mathematical models describing formation of thrombi and clots include a great number of equations. Being implemented in a CFD code, the detailed mathematical models require essential computer resources for simulation of the thrombi growth in a blood flow. A reasonable alternative way is using reduced mathematical models. Two models based on the reduced mathematical model for the thrombin generation are described in the given paper.

The first model describes growth of a thrombus in a great vessel (artery). The artery flows are essentially unsteady. They are characterized by pulse waves. The blood velocity here is high compared to that in the vein tree. The reduced model for the thrombin generation and the thrombus growth in an artery is relatively simple. The processes accompanying the thrombin generation in arteries are well described by the zero-order approximation.

A vein flow is characterized lower velocity value, lower gradients, and lower shear stresses. In order to simulate the thrombin generation in veins, a more complex system of equations has to be solved. The model must allow for all the non-linear terms in the right-hand sides of the equations.

The simulation is carried out in the industrial software FlowVision.

The performed numerical investigations have shown the suitability of the reduced models for simulation of thrombin generation and thrombus growth. The calculations demonstrate formation of the recirculation zone behind a thrombus. The concentration of thrombin and the mass fraction of activated platelets are maximum here. Formation of such a zone causes slow growth of the thrombus downstream. At the upwind part of the thrombus, the concentration of activated platelets is low, and the upstream thrombus growth is negligible.

When the blood flow variation during a hart cycle is taken into account, the thrombus growth proceeds substantially slower compared to the results obtained under the assumption of constant (averaged over a hard cycle) conditions. Thrombin and activated platelets produced during diastole are quickly carried away by the blood flow during systole. Account of non-Newtonian rheology of blood noticeably affects the results.

This paper considers the problem of water consumption in the regions of Russia with low water availability. We provide a review of the existing methods to control quality and quantity of water resources at different scales — from households to worldwide. The paper itself considers regions with low “water availability” parameter which is amount of water per person per year. Special attention is paid to the regions, where this parameter is low because of natural features of the region, not because of high population. In such regions many resources are spend on water processing infrastructure to store water and transport water from other regions. In such regions the main water consumers are industry and agriculture.

We propose dynamic two-level hierarchical model which matches water consumption of a region with its gross regional product. On the top level there is a regional administration (supervisor) and on the lower level there are region enterprises (agents). The supervisor sets fees for water consumption. We study the model with Pontryagin’s maximum principle and provide agents’s optimal control in analytical form. For the supervisor’s control we provide numerical algorithm. The model has six free coefficients, which can be chosen so the model represents a particular region. We use data from Russia Federal State Statistics Service for identification process of a model. For numerical analysis we use trust region reflective algorithms. We provide calculations for a few regions with low water availability. It is shown that it is possible to reduce water consumption of a region more than by 20% while gross regional product drop is less than 10%.

Muscle contraction is controlled by Ca2+ ions via regulatory proteins, troponin and tropomyosin, associated with thin actin filaments in sarcomeres. Depending on the Ca2+ concentration, the thin filament rearranges so that tropomyosin moves along its surface, opening or closing access to actin for the motor domains of myosin molecules, and causing contraction or relaxation, respectively. Numerous point amino acid substitutions in tropomyosin are known, leading to genetic pathologies — myo- and cardiomyopathies caused by changes in the structural and functional properties of the thin filament. The results of molecular dynamics modeling of a fragment of a thin filament of cardiac muscle sarcomeres formed by fibrillar actin and wildtype tropomyosin or with amino acid substitutions: the double stabilizing substitution D137L/G126R and the cardiomyopathic substitution S215L are presented. For numerical calculations, we used a new model of a thin filament fragment containing 26 actin monomers and 4 tropomyosin dimers, with a refined structure of the region of overlap of neighboring tropomyosin molecules in each of the two tropomyosin strands. The simulation results showed that tropomyosin significantly increases the bending stiffness of the thin filament, as previously found experimentally. The double stabilizing replacement D137L/G126R leads to a further increase in this rigidity, and the replacement S215L, on the contrary, leads to its decrease, which also corresponds to experimental data. At the same time, these substitutions have different effects on the angular mobility of the actin helix and only slightly modulate the angular mobility of tropomyosin cables relative to the actin helix and the population of hydrogen bonds between negatively charged tropomyosin residues and positively charged actin residues. The results of the verification of the new model demonstrate that its quality is sufficient for the numerical study of the effect of single amino acid substitutions on the structure and dynamics of thin filaments and study the effects leading to dysregulation of muscle contraction. This model can be used as a useful tool for elucidating the molecular mechanisms of some genetic diseases and assessing the pathogenicity of newly discovered genetic variants.

In this article in the frameworks of the sine-Gordon mode we have calculated the dynamical characteristics of kinks and antikinks activated in the homogeneous polynucleotide chains each if them contains only one of the types of the bases: adenines, thymines, guanines or cytosines. We have obtained analytical formulas and constructed the graphs for the kink and antikink profiles and for their energy density in the 2D- and 3D-dimension. Mass of kinks and antikinks, their energy of rest and their size have been estimated. The trajectories of kink and antikink motion in the phase space have been calculated in the 2D- and 3D-dimension.

The nonlinear restrictive (with restrictions of the inequalities type) dynamic mathematical model of the committed competition vacant market of many goods in conditions of the goods deliveries time-lag and of the linear dependency of the demand vector from the prices vector is offered. The problem of finding of prices and deliveries of goods into the market which are optimal (from seller’s profit standpoint) is formulated. It is shown the seller’s total profit maximum is expressing by the continuous piecewise smooth function of vector of volumes of deliveries with breakup of the derivative on borders of zones of the goods deficit, of the overstocking and of the dynamic balance of demand and offer of each of goods. With use of the predicate functions technique the computing algorithm of optimization of the goods deliveries into the market is built.

The transition from α-helices to β-strands under external mechanical force in fibrin molecule containing coiled-coils is studied and free energy landscape is resolved. The detailed theoretical modeling of each stage of coiled-coils fragment pulling process was performed. The plots of force (F) as a function of molecule expansion (X) for two symmetrical fibrin coiled-coils (each ∼17 nm in length) show three distinct modes of mechanical behaviour: (1) linear (elastic) mode when coiled-coils behave like entropic springs (F<100−125 pN and X<7−8 nm), (2) viscous (plastic) mode when molecule resistance force does not increase with increase in elongation length (F≈150 pN and X≈10−35 nm) and (3) nonlinear mode (F>175−200 pN and X>40−50 nm). In linear mode the coiled-coils unwind at 2π radian angle, but no structural transition occurs. Viscous mode is characterized by the phase transition from the triple α-spirals to three-stranded parallel β-sheet. The critical tension of α-helices is 0.25 nm per turn, and the characteristic energy change is equal to 4.9 kcal/mol. Changes in internal energy Δu, entropy Δs and force capacity c_f per one helical turn for phase transition were also computed. The observed dynamic behavior of α-helices and phase transition from α-helices to β-sheets under tension might represent a universal mechanism of regulation of fibrillar protein structures subject to mechanical stresses due to biological forces.

In the development of the previously obtained result on modeling the dynamics of vegetation cover, due to variations in the temperature background, a new scheme for the interval analysis of the dynamics of floristic images of formations is presented in the case when the parameter of the response rate of the model of the dynamics of each counting plant species is set by the interval of scatter of its possible values. The detailed description of the functional parameters of macromodels of biodiversity, desired in fundamental research, taking into account the essential reasons for the observed evolutionary processes, may turn out to be a problematic task. The use of more reliable interval estimates of the variability of functional parameters “bypasses” the problem of uncertainty in the primary assessment of the evolution of the phyto-resource potential of the developed controlled territories. The solutions obtained preserve not only a qualitative picture of the dynamics of species diversity, but also give a rigorous, within the framework of the initial assumptions, a quantitative assessment of the degree of presence of each plant species. The practical significance of two-sided estimation schemes based on the construction of equations for the upper and lower boundaries of the trajectories of the scatter of solutions depends on the conditions and measure of proportional correspondence of the intervals of scatter of the initial parameters with the intervals of scatter of solutions. For dynamic systems, the desired proportionality is not always ensured. The given examples demonstrate the acceptable accuracy of interval estimation of evolutionary processes. It is important to note that the constructions of the estimating equations generate vanishing intervals of scatter of solutions for quasi-constant temperature perturbations of the system. In other words, the trajectories of stationary temperature states of the vegetation cover are not roughened by the proposed interval estimation scheme. The rigor of the result of interval estimation of the species composition of the vegetation cover of formations can become a determining factor when choosing a method in the problems of analyzing the dynamics of species diversity and the plant potential of territorial systems of resource-ecological monitoring. The possibilities of the proposed approach are illustrated by geoinformation images of the computational analysis of the dynamics of the vegetation cover of the Yamal Peninsula and by the graphs of the retro-perspective analysis of the floristic variability of the formations of the landscapelithological group “Upper” based on the data of the summer temperature background of the Salehard weather station from 2010 to 1935. The developed indicators of floristic variability and the given graphs characterize the dynamics of species diversity, both on average and individually in the form of intervals of possible states for each species of plant.

The article considers the problem of forecasting the number of employed and unemployed persons in a multisectoral labor market using a balance mathematical model of labor force intersectoral dynamics.

The balance mathematical model makes it possible to calculate the values of intersectoral dynamics indicators using only statistical data on sectoral employment and unemployment provided by the Federal State Statistics Service. Intersectoral dynamics indicators of labor force calculated for several years in a row are used to build trends for each of these indicators. The found trends are used to calculation of forecasted intersectoral dynamics indicators of labor force. The sectoral employment and unemployment of researched multisectoral labor market is forecasted based on values these forecasted indicators.

The proposed approach was applied to forecast the employed persons in the economic sectors of the Russian Federation in 2011–2016. The following types of trends were used to describe changes of intersectoral dynamics indicators values: linear, non-linear, constant. The procedure for selecting trends is clearly demonstrated by the example of indicators that determine the labor force movements from the “Transport and communications” sector to the “Healthcare and social services” sector, as well as from the “Public administration and military security, social security” sector to the “Education” sector.

Several approaches to forecasting was compared: a) naive forecast, within which the labor market indicators was forecasted only using a constant trend; b) forecasting based on a balance model using only a constant trend for all intersectoral dynamics indicators of labor force; c) forecasting directly by the number employed persons in economic sectors using the types of trends considered in the article; d) forecasting based on a balance model with the trends choice for each intersectoral dynamics indicators of labor force.

The article shows that the use of a balance model provides a better forecast quality compared to forecasting directly by the number of employed persons. The use of trends in intersectoral dynamics indicators improves the quality of the forecast. The article also provides analysis examples of the multisectoral labor market in the Russian Federation. Using the balance model, the following information was obtained: the labor force flows distribution outgoing from concrete sectors by sectors of the economy; the sectoral structure of the labor force flows ingoing in concrete sectors. This information is not directly contained in the data provided by the Federal State Statistics Service.

The paper present a dynamic macro model of world dynamics. The world is divided into 19 geographic regions in the model. The internal development of the regions is described by regression equations for demographic and economic indicators (Population, Gross Domestic Product, Gross Capital Formation). The bilateral trade flows from region to region describes interregional interactions and represented the trade submodel. Time, the gross product of the exporter and the gross product of the importer were used as regressors. Four types were considered: time pair regression — dependence of trade flow on time, export function — dependence of the share of trade flow in the gross product of the exporter on the gross product of the importer, import function — dependence of the share of trade flow in the gross product of the importer on the gross product of the exporter, multiple regression — dependence of trade flow on the gross products of the exporter and importer. Two types of functional dependence were used for each type: linear and log-linear, in total eight variants of the trading equation were studied. The quality of regression models is compared by the coefficient of determination. By calculations the model satisfactorily approximates the dynamics of monotonically changing indicators. The dynamics of non-monotonic trade flows is analyzed, three types of functional dependence on time are proposed for their approximation. It is shown that the number of foreign trade series can be approximated by the space of seven main components with a 10% error. The forecast of regional development and global dynamics up to 2040 is constructed.

The paper considers the basic model of competitive interactions and its use for the analysis and description of social processes. The peculiarity of the model is that it describes the interaction of several competing actors, while actors can vary the strategy of their actions, in particular, form coalitions to jointly counter a common enemy. As a result of modeling, various modes of competitive interaction were identified, their classification was conducted, and their features were described. In the course of the study, the attention is paid to the so-called “rough” (according to A.A. Andronov) cases of the implementation of competitive interaction, which until now have rarely been considered in the scientific literature, but are quite common in real life. Using a basic mathematical model, the conditions for the implementation of various modes of competitive interactions are considered, the conditions for the transition from one mode to another are determined, examples of the implementation of these modes in the economy, social and political life are given. It is shown that with a relatively low level of competition, which is non-antagonistic in nature, competition can lead to an increase in the activity of interacting actors and to overall economic growth. Moreover, in the presence of expanding resource opportunities (as long as such opportunities remain), this growth may have a hyperbolic character. With a decrease in resource capabilities and increased competition, there is a transition to an oscillatory mode, when weaker actors unite to jointly counteract stronger ones. With a further decrease in resource opportunities and increased competition, there is a transition to the formation of stable hierarchical structures. At the same time, the model shows that at a certain moment there is a loss of stability, the system becomes “rough” according to A.A. Andronov and sensitive to fluctuations in parameter changes. As a result, the existing hierarchies may collapse and be replaced by new ones. With a further increase in the intensity of competition, the actor-leader completely suppresses his opponents and establishes monopolism. Examples from economic, social, and political life are given, illustrating the patterns identified on the basis of modeling using the basic model of competition. The obtained results can be used in the analysis, modeling and forecasting of socioeconomic and political processes.