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The mechanical stability of cell adhesion protein Cadherin with explicit model of water is studied by the method of molecular dynamics. The protein in apo-form and with the ions of different types (Ca²⁺, Mg²⁺, Na⁺, K⁺) was unfolding with a constant speed by applying the force to the ends. Eight independent experiments were done for each form of the protein. It was shown that univalent ions stabilize the structure less than bivalent one under mechanical unfolding of the protein. A model system composed of two amino acids and the metal ion between them demonstrates properties similar to that of the cadherin in the stretching experiments. The systems with potassium and sodium ions have less mechanical stability then the systems with calcium and magnesium ions.

Photosynthetic apparatus of a plant cell consists of multiple photosynthetic electron transport chains (ETC). Each ETC is capable of capturing and utilizing light quanta, that drive electron transport along the chain. Light assimilation efficiency depends on the plant’s current physiological state. The energy of the part of quanta that cannot be utilized, dissipates into heat, or is emitted as fluorescence. Under high light conditions fluorescence levels gradually rise to the maximum level. The curve describing that rise is called fluorescence rise (FR). It has a complex shape and that shape changes depending on the photosynthetic apparatus state. This gives one the opportunity to investigate that state only using the non invasive measuring of the FR.

When measuring fluorescence in experimental conditions, we get a response from millions of photosynthetic units at a time. In order to reproduce the probabilistic nature of the processes in a photosynthetic ETC, we created a Monte Carlo model of this chain. This model describes an ETC as a sequence of electron carriers in a thylakoid membrane, connected with each other. Those carriers have certain probabilities of capturing light photons, transferring excited states, or reducing each other, depending on the current ETC state. The events that take place in each of the model photosynthetic ETCs are registered, accumulated and used to create fluorescence rise and electron carrier redox states accumulation kinetics. This paper describes the model structure, the principles of its operation and the relations between certain model parameters and the resulting kinetic curves shape. Model curves include photosystem II reaction center fluorescence rise and photosystem I reaction center redox state change kinetics under different conditions.

The data of episodic field measurements of carbon dioxide balance components (soil respiration — R_soil, ecosystem respiration — R_eco, net ecosystem exchange — NEE) of hayfields under use and abandoned one are interpreted by modelling. The field measurements were carried within five field campaigns in 2018 and 2019 on the drained part of the Dubna Peatland in Taldom District, Moscow Oblast, Russia. The territory is within humid continental climate zone. Peatland drainage was done out for milled peat extraction. After extraction was stopped, the residual peat deposit (1–1.5 m) was ploughed and grassed (Poa pratensis L.) for hay production. The current ground water level (GWL) varies from 0.3–0.5 m below the surface during wet and up to 1.0 m during dry periods. Daily dynamics of CO2 fluxes was measured using dynamic chamber method in 2018 (August) and 2019 (May, June, August) for abandoned ditch spacing only with sanitary mowing once in 5 years and the ditch spacing with annual mowing. NEE and Reco were measured on the sites with original vegetation, and Rsoil — after vegetation removal. To model a seasonal dynamics of NEE, the dependence of its components (Reco, Rsoil, and Gross ecosystematmosphere exchange of carbon dioxide — GEE) from soil and air temperature, GWL, photosynthetically active radiation, underground and aboveground plant biomass were used. The parametrization of the models has been carried out considering the stability of coefficients estimated by the bootstrap method. R2 (α = 0.05) between simulated and measured Reco was 0.44 (p < 0.0003) on abandoned and 0.59 (p < 0.04) on under use hayfield, and GEE was 0.57 (p < 0.0002) and 0.77 (p < 0.00001), respectively. Numerical experiments were carried out to assess the influence of different haymaking regime on NEE. It was found that NEE for the season (May 15 – September 30) did not differ much between the hayfield without mowing (4.5±1.0 tC·ha–1·season–1) and the abandoned one (6.2±1.4). Single mowing during the season leads to increase of NEE up to 6.5±0.9, and double mowing — up to 7.5±1.4 tC·ha–1·season–1. This means increase of carbon losses and CO2 emission into the atmosphere. Carbon loss on hayfield for both single and double mowing scenario was comparable with abandoned hayfield. The value of removed phytomass for single and double mowing was 0.8±0.1 tC·ha^–1·season^–1 and 1.4±0.1 (45% carbon content in dry phytomass) or 3.0 and 4.4 t·ha^–1·season^–1 of hay (17% moisture content). In comparison with the fallow, the removal of biomass of 0.8±0.1 at single and 1.4±0.1 tC·ha^–1·season^–1 double mowing is accompanied by an increase in carbon loss due to CO2 emissions, i.e., the growth of NEE by 0.3±0.1 and 1.3±0.6 tC·ha–1·season–1, respectively. This corresponds to the growth of NEE for each ton of withdrawn phytomass per hectare of 0.4±0.2 tС·ha–1·season–1 at single mowing, and 0.9±0.7 tС·ha^–1·season^–1 at double mowing. Therefore, single mowing is more justified in terms of carbon loss than double mowing. Extensive mowing does not increase CO2 emissions into the atmosphere and allows, in addition, to “replace” part of the carbon loss by agricultural production.

Studies of the crisis socio-demographic situation in the Russian Far East require not only the use of traditional statistical methods, but also a conceptual analysis of possible development scenarios based on the synergy principles. The article is devoted to the analysis and modeling of the number of employed, unemployed and economically inactive population using nonlinear autonomous differential equations. We studied a basic mathematical model that takes into account the principle of pair interactions, which is a special case of the model for the struggle between conditional information of D. S. Chernavsky. The point estimates for the parameters are found using least squares method adapted for this model. The average approximation error was no more than 5.17%. The calculated parameter values correspond to the unstable focus and the oscillations with increasing amplitude of population number in the asymptotic case, which indicates a gradual increase in disparities between the employed, unemployed and economically inactive population and a collapse of their dynamics. We found that in the parametric space, not far from the inertial scenario, there are domains of blow-up and chaotic regimes complicating the ability to effectively manage. The numerical study showed that a change in only one model parameter (e.g. migration) without complex structural socio-economic changes can only delay the collapse of the dynamics in the long term or leads to the emergence of unpredictable chaotic regimes. We found an additional set of the model parameters corresponding to sustainable dynamics (stable focus) which approximates well the time series of the considered population groups. In the mathematical model, the bifurcation parameters are the outflow rate of the able-bodied population, the fertility (“rejuvenation of the population”), as well as the migration inflow rate of the unemployed. We found that the transition to stable regimes is possible with the simultaneous impact on several parameters which requires a comprehensive set of measures to consolidate the population in the Russian Far East and increase the level of income in terms of compensation for infrastructure sparseness. Further economic and sociological research is required to develop specific state policy measures.

Many properties of ordinary differential equations systems solutions are determined by the properties of the equations in variations. An ODE system, which includes both the original nonlinear system and the equations in variations, will be called an extended system further. When studying the properties of the Cauchy problem for the systems of ordinary differential equations, the transition to extended systems allows one to study many subtle properties of solutions. For example, the transition to the extended system allows one to increase the order of approximation for numerical methods, gives the approaches to constructing a sensitivity function without using numerical differentiation procedures, allows to use methods of increased convergence order for the inverse problem solution. Authors used the Broyden method belonging to the class of quasi-Newtonian methods. The Rosenbroke method with complex coefficients was used to solve the stiff systems of the ordinary differential equations. In our case, it is equivalent to the second order approximation method for the extended system.

As an example of the proposed approach, several related mathematical models of the blood coagulation process were considered. Based on the analysis of the numerical calculations results, the conclusion was drawn that it is necessary to include a description of the factor XI positive feedback loop in the model equations system. Estimates of some reaction constants based on the numerical inverse problem solution were given.

Effect of factor V release on platelet activation was considered. The modification of the mathematical model allowed to achieve quantitative correspondence in the dynamics of the thrombin production with experimental data for an artificial system. Based on the sensitivity analysis, the hypothesis tested that there is no influence of the lipid membrane composition (the number of sites for various factors of the clotting system, except for thrombin sites) on the dynamics of the process.

The paper is devoted to the study of relationships between discrete and continuous models financial processes and their probabilistic characteristics. First, a connection is established between the price processes of stocks, hedging portfolio and options in the models conditioned by binomial perturbations and their limit perturbations of the Brownian motion type. Secondly, analogues in the coefficients of stochastic equations with various random processes, continuous and jumpwise, and in the coefficients corresponding deterministic equations for their probabilistic characteristics. Statement of the results on the connections and finding analogies, obtained in this paper, led to the need for an adequate presentation of preliminary information and results from financial mathematics, as well as descriptions of related objects of stochastic analysis. In this paper, partially new and known results are presented in an accessible form for those who are not specialists in financial mathematics and stochastic analysis, and for whom these results are important from the point of view of applications. Specifically, the following sections are presented.

• In one- and n-period binomial models, it is proposed a unified approach to determining on the probability space a risk-neutral measure with which the discounted option price becomes a martingale. The resulting martingale formula for the option price is suitable for numerical simulation. In the following sections, the risk-neutral measures approach is applied to study financial processes in continuous-time models.

• In continuous time, models of the price of shares, hedging portfolios and options are considered in the form of stochastic equations with the Ito integral over Brownian motion and over a compensated Poisson process. The study of the properties of these processes in this section is based on one of the central objects of stochastic analysis — the Ito formula. Special attention is given to the methods of its application.

• The famous Black – Scholes formula is presented, which gives a solution to the partial differential equation for the function $v(t, x)$, which, when $x = S (t)$ is substituted, where $S(t)$ is the stock price at the moment time $t$, gives the price of the option in the model with continuous perturbation by Brownian motion.

• The analogue of the Black – Scholes formula for the case of the model with a jump-like perturbation by the Poisson process is suggested. The derivation of this formula is based on the technique of risk-neutral measures and the independence lemma.

The purpose of this study is to develop a methodology for change points detection in time series, including financial data. The theoretical basis of the study is based on the pieces of research devoted to the analysis of structural changes in financial markets, description of the proposed algorithms for detecting change points and peculiarities of building classical and deep machine learning models for solving this type of problems. The development of such tools is of interest to investors and other stakeholders, providing them with additional approaches to the effective analysis of financial markets and interpretation of available data.

To address the research objective, a neural network was trained. In the course of the study several ways of training sample formation were considered, differing in the nature of statistical parameters. In order to improve the quality of training and obtain more accurate results, a methodology for feature generation was developed for the formation of features that serve as input data for the neural network. These features, in turn, were derived from an analysis of mathematical expectations and standard deviations of time series data over specific intervals. The potential for combining these features to achieve more stable results is also under investigation.

The results of model experiments were analyzed to compare the effectiveness of the proposed model with other existing changepoint detection algorithms that have gained widespread usage in practical applications. A specially generated dataset, developed using proprietary methods, was utilized as both training and testing data. Furthermore, the model, trained on various features, was tested on daily data from the S&P 500 index to assess its effectiveness in a real financial context.

As the principles of the model’s operation are described, possibilities for its further improvement are considered, including the modernization of the proposed model’s structure, optimization of training data generation, and feature formation. Additionally, the authors are tasked with advancing existing concepts for real-time changepoint detection.

The article describes a model of a human in the informational economy and demonstrates the multicriteria optimizational approach to the metric analysis of model-generated data. The traditional approach using the identification and study involves the model’s identification by time series and its further prediction. However, this is not possible when some variables are not explicitly observed and only some typical borders or population features are known, which is often the case in the social sciences, making some models pure theoretical. To avoid this problem, we propose a method of metric data analysis (MMDA) for identification and study of such models, based on the construction and analysis of the Kolmogorov – Shannon metric nets of the general population in a multidimensional space of social characteristics. Using this method, the coefficients of the model are identified and the features of its phase trajectories are studied. In this paper, we are describing human according to his role in information processing, considering his awareness and cognitive abilities. We construct two lifetime indices of human capital: creative individual (generalizing cognitive abilities) and productive (generalizing the amount of information mastered by a person) and formulate the problem of their multi-criteria (two-criteria) optimization taking into account life expectancy. This approach allows us to identify and economically justify the new requirements for the education system and the information environment of human existence. It is shown that the Pareto-frontier exists in the optimization problem, and its type depends on the mortality rates: at high life expectancy there is one dominant solution, while for lower life expectancy there are different types of Paretofrontier. In particular, the Pareto-principle applies to Russia: a significant increase in the creative human capital of an individual (summarizing his cognitive abilities) is possible due to a small decrease in the creative human capital (summarizing awareness). It is shown that the increase in life expectancy makes competence approach (focused on the development of cognitive abilities) being optimal, while for low life expectancy the knowledge approach is preferable.

The article discusses the problem of the influence of the research goals on the structure of the multivariate model of regression analysis (in particular, on the implementation of the procedure for reducing the dimension of the model). It is shown how bringing the specification of the multiple regression model in line with the research objectives affects the choice of modeling methods. Two schemes for constructing a model are compared: the first does not allow taking into account the typology of primary predictors and the nature of their influence on the performance characteristics, the second scheme implies a stage of preliminary division of the initial predictors into groups, in accordance with the objectives of the study. Using the example of solving the problem of analyzing the causes of burnout of creative workers, the importance of the stage of qualitative analysis and systematization of a priori selected factors is shown, which is implemented not by computing means, but by attracting the knowledge and experience of specialists in the studied subject area. The presented example of the implementation of the approach to determining the specification of the regression model combines formalized mathematical and statistical procedures and the preceding stage of the classification of primary factors. The presence of this stage makes it possible to explain the scheme of managing (corrective) actions (softening the leadership style and increasing approval lead to a decrease in the manifestations of anxiety and stress, which, in turn, reduces the severity of the emotional exhaustion of the team members). Preclassification also allows avoiding the combination in one main component of controlled and uncontrolled, regulatory and controlled feature factors, which could worsen the interpretability of the synthesized predictors. On the example of a specific problem, it is shown that the selection of factors-regressors is a process that requires an individual solution. In the case under consideration, the following were consistently used: systematization of features, correlation analysis, principal component analysis, regression analysis. The first three methods made it possible to significantly reduce the dimension of the problem, which did not affect the achievement of the goal for which this task was posed: significant measures of controlling influence on the team were shown. allowing to reduce the degree of emotional burnout of its participants.

The paper presents the results of applying a scheme of very high accuracy and resolution to obtain numerical solutions of the Navier – Stokes equations of a compressible gas describing the occurrence and development of instability of a two-dimensional laminar boundary layer on a flat plate. The peculiarity of the conducted studies is the absence of commonly used artificial exciters of instability in the implementation of direct numerical modeling. The multioperator scheme used made it possible to observe the subtle effects of the birth of unstable modes and the complex nature of their development caused presumably by its small approximation errors. A brief description of the scheme design and its main properties is given. The formulation of the problem and the method of obtaining initial data are described, which makes it possible to observe the established non-stationary regime fairly quickly. A technique is given that allows detecting flow fluctuations with amplitudes many orders of magnitude smaller than its average values. A time-dependent picture of the appearance of packets of Tollmien – Schlichting waves with varying intensity in the vicinity of the leading edge of the plate and their downstream propagation is presented. The presented amplitude spectra with expanding peak values in the downstream regions indicate the excitation of new unstable modes other than those occurring in the vicinity of the leading edge. The analysis of the evolution of instability waves in time and space showed agreement with the main conclusions of the linear theory. The numerical solutions obtained seem to describe for the first time the complete scenario of the possible development of Tollmien – Schlichting instability, which often plays an essential role at the initial stage of the laminar-turbulent transition. They open up the possibilities of full-scale numerical modeling of this process, which is extremely important for practice, with a similar study of the spatial boundary layer.