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Classical Chanter–Thornley model of mushroom growth has been modified and implemented in AnyLogic simulation environment by means of system dynamics, discrete-event and agent-based approaches. A numerical case study of the model is presented and the problem of optimum age at harvest, providing the maximum integral yield for all fruiting “waves” is solved.

The paper outlines the approaches to mathematical modeling correlation adaptometry techniques widely used in biology and medicine. The analysis is based on models employed in descriptions of structured biological systems. It is assumed that the distribution density of the biological population numbers satisfies the equation of Kolmogorov-Fokker-Planck. Using this technique evaluated the effectiveness of treatment of patients with obesity. All patients depending on the obesity degree and the comorbidity nature were divided into three groups. Shows a decrease in weight of the correlation graph computed from the measured in the patients of the indicators that characterizes the effectiveness of the treatment for all studied groups. This technique was also used to assess the intensity of the training loads in academic rowing three age groups. It was shown that with the highest voltage worked with athletes for youth group. Also, using the technique of correlation adaptometry evaluated the effectiveness of the treatment of hormone replacement therapy in women. All the patients depending on the assigned drug were divided into four groups. In the standard analysis of the dynamics of mean values of indicators, it was shown that in the course of the treatment were observed normalization of the averages for all groups of patients. However, using the technique of correlation adaptometry it was found that during the first six months the weight of the correlation graph was decreasing and during the second six months the weight increased for all study groups. This indicates the excessive length of the annual course of hormone replacement therapy and the practicality of transition to a semiannual rate.

Modern power transportation systems are the complex engineering systems. Such systems include both point facilities (power producers, consumers, transformer substations, etc.) and the distributed elements (f.e. power lines). Such structures are presented in the form of the graphs with different types of nodes under creating the mathematical models. It is necessary to solve the system of partial differential equations of the hyperbolic type to study the dynamic effects in such systems.

An approach similar to one already applied in modeling similar problems earlier used in the work. New variant of the splitting method was used proposed by the authors. Unlike most known works, the splitting is not carried out according to physical processes (energy transport without dissipation, separately dissipative processes). We used splitting to the transport equations with the drain and the exchange between Reimann’s invariants. This splitting makes possible to construct the hybrid schemes for Riemann invariants with a high order of approximation and minimal dissipation error. An example of constructing such a hybrid differential scheme is described for a single-phase power line. The difference scheme proposed is based on the analysis of the properties of the schemes in the space of insufficient coefficients.

Examples of the model problem numerical solutions using the proposed splitting and the difference scheme are given. The results of the numerical calculations shows that the difference scheme allows to reproduce the arising regions of large gradients. It is shown that the difference schemes also allow detecting resonances in such the systems.

The article analyzes empirical data on the long-term demographic and economic dynamics of the countries of the world for the period from the beginning of the 19th century to the present. Population and GDP of a number of countries of the world for the period 1500–2016 were selected as indicators characterizing the long-term demographic and economic dynamics of the countries of the world. Countries were chosen in such a way that they included representatives with different levels of development (developed and developing countries), as well as countries from different regions of the world (North America, South America, Europe, Asia, Africa). A specially developed mathematical model was used for modeling and data processing. The presented model is an autonomous system of differential equations that describes the processes of socio-economic modernization, including the process of transition from an agrarian society to an industrial and post-industrial one. The model contains the idea that the process of modernization begins with the emergence of an innovative sector in a traditional society, developing on the basis of new technologies. The population is gradually moving from the traditional sector to the innovation sector. Modernization is completed when most of the population moves to the innovation sector.

Statistical methods of data processing and Big Data methods, including hierarchical clustering were used. Using the developed algorithm based on the random descent method, the parameters of the model were identified and verified on the basis of empirical series, and the model was tested using statistical data reflecting the changes observed in developed and developing countries during the period of modernization taking place over the past centuries. Testing the model has demonstrated its high quality — the deviations of the calculated curves from statistical data are usually small and occur during periods of wars and economic crises. Thus, the analysis of statistical data on the long-term demographic and economic dynamics of the countries of the world made it possible to determine general patterns and formalize them in the form of a mathematical model. The model will be used to forecast demographic and economic dynamics in different countries of the world.

The paper proposes a set of fairly simple analysis algorithms that can be used to analyze a wide range of protein-protein interactions. In this work, we jointly use the methods of Brownian and molecular dynamics to describe the process of formation of a complex of plastocyanin and cytochrome f proteins in higher plants. In the diffusion-collision complex, two clusters of structures were revealed, the transition between which is possible with the preservation of the position of the center of mass of the molecules and is accompanied only by a rotation of plastocyanin by 134 degrees. The first and second clusters of structures of collisional complexes differ in that in the first cluster with a positively charged region near the small domain of cytochrome f, only the “lower” plastocyanin region contacts, while in the second cluster, both negatively charged regions. The “upper” negatively charged region of plastocyanin in the first cluster is in contact with the amino acid residue of lysine K122. When the final complex is formed, the plastocyanin molecule rotates by 69 degrees around an axis passing through both areas of electrostatic contact. With this rotation, water is displaced from the regions located near the cofactors of the molecules and formed by hydrophobic amino acid residues. This leads to the appearance of hydrophobic contacts, a decrease in the distance between the cofactors to a distance of less than 1.5 nm, and further stabilization of the complex in a position suitable for electron transfer. Characteristics such as contact matrices, rotation axes during the transition between states, and graphs of changes in the number of contacts during the modeling process make it possible to determine the key amino acid residues involved in the formation of the complex and to reveal the physicochemical mechanisms underlying this process.

The theoretical study of consensus makes it possible to analyze the various situations that social groups that make decisions in this way have to face in real life, abstracting from the specific characteristics of the groups. It is relevant for practice to study the dynamics of a social group consisting of loyal experts who, in the process of seeking consensus, yield to each other. In this case, psychological “traps” such as false consensus or groupthink are possible, which can sometimes lead to managerial decisions with dire consequences.

The article builds a mathematical consensus model for a group of loyal experts based on modeling using regular Markov chains. Analysis of the model showed that with an increase in the loyalty (decrease in authoritarianism) of group members, the time to reach consensus increases exponentially (the number of agreements increases), which is apparently due to the lack of desire among experts to take part of the responsibility for the decision being made. An increase in the size of such a group leads (ceteris paribus):

– to reduce the number of approvals to consensus in the conditions of striving for absolute loyalty of members, i. e. each additional loyal member adds less and less “strength” to the group;

– to a logarithmic increase in the number of approvals in the context of an increase in the average authoritarianism of members. It is shown that in a small group (two people), the time for reaching consensus can increase by more than 10 times compared to a group of 5 or more members), in the group there is a transfer of responsibility for making decisions.

It is proved that in the case of a group of two absolutely loyal members, consensus is unattainable.

A reasonable conclusion is made that consensus in a group of loyal experts is a special (special) case of consensus, since the dependence of the time until consensus is reached on the authoritarianism of experts and their number in the group is described by different curves than in the case of a regular group of experts.

Despite the widespread use of cancer chemotherapy drugs, the molecular mechanisms of action of many of them remain unclear. Some of these drugs, such as taxol, are known to affect the dynamics of microtubule assembly and stop the process of cell division in prophase-prometaphase. Recently, new spatial structures of microtubules and individual tubulin oligomers have emerged associated with various regulatory proteins and cancer chemotherapy drugs. However, knowledge of the spatial structure in itself does not provide information about the mechanism of action of drugs.

In this work, we applied the molecular dynamics method to study the behavior of taxol-bound tubulin oligomers and used our previously developed method for analyzing the conformation of tubulin protofilaments, based on the calculation of modified Euler angles. Recent structures of microtubule fragments have demonstrated that tubulin protofilaments bend not in the radial direction, as many researchers assume, but at an angle of approximately 45◦ from the radial direction. However, in the presence of taxol, the bending direction shifts closer to the radial direction. There was no significant difference between the mean bending and torsion angles of the studied tubulin structures when bound to the various natural regulatory ligands, guanosine triphosphate and guanosine diphosphate. The intra-dimer bending angle was found to be greater than the interdimer bending angle in all analyzed trajectories. This indicates that the bulk of the deformation energy is stored within the dimeric tubulin subunits and not between them. Analysis of the structures of the latest generation of tubulins indicated that the presence of taxol in the tubulin beta subunit pocket allosterically reduces the torsional rigidity of the tubulin oligomer, which could explain the underlying mechanism of taxol’s effect on microtubule dynamics. Indeed, a decrease in torsional rigidity makes it possible to maintain lateral connections between protofilaments, and therefore should lead to the stabilization of microtubules, which is what is observed in experiments. The results of the work shed light on the phenomenon of dynamic instability of microtubules and allow to come closer to understanding the molecular mechanisms of cell division.

The article examines the impact of non-market actions of participants in oligopolistic markets on the market structure. The following actions of one of the market participants aimed at increasing its market share are analyzed: 1) price manipulation; 2) blocking investments of stronger oligopolists; 3) destruction of produced products and capacities of competitors. Linear dynamic games with a quadratic criterion are used to model the strategies of oligopolists. The expediency of their use is due to the possibility of both an adequate description of the evolution of markets and the implementation of two mutually complementary approaches to determining the strategies of oligopolists: 1) based on the representation of models in the state space and the solution of generalized Riccati equations; 2) based on the application of operational calculus methods (in the frequency domain) which owns the visibility necessary for economic analysis.

The article shows the equivalence of approaches to solving the problem with maximin criteria of oligopolists in the state space and in the frequency domain. The results of calculations are considered in relation to a duopoly, with indicators close to one of the duopolies in the microelectronic industry of the world. The second duopolist is less effective from the standpoint of costs, though more mobile. Its goal is to increase its market share by implementing the non-market methods listed above.

Calculations carried out with help of the game model, made it possible to construct dependencies that characterize the relationship between the relative increase in production volumes over a 25-year period of weak and strong duopolists under price manipulation. Constructed dependencies show that an increase in the price for the accepted linear demand function leads to a very small increase in the production of a strong duopolist, but, simultaneously, to a significant increase in this indicator for a weak one.

Calculations carried out with use of the other variants of the model, show that blocking investments, as well as destroying the products of a strong duopolist, leads to more significant increase in the production of marketable products for a weak duopolist than to a decrease in this indicator for a strong one.

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%.

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.