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Modeling the kinetics of radiopharmaceuticals with iodine isotopes in nuclear medicine problems
Computer Research and Modeling, 2020, v. 12, no. 4, pp. 883-905Radiopharmaceuticals with iodine radioisotopes are now widely used in imaging and non-imaging methods of nuclear medicine. When evaluating the results of radionuclide studies of the structural and functional state of organs and tissues, parallel modeling of the kinetics of radiopharmaceuticals in the body plays an important role. The complexity of such modeling lies in two opposite aspects. On the one hand, excessive simplification of the anatomical and physiological characteristics of the organism when splitting it to the compartments that may result in the loss or distortion of important clinical diagnosis information, on the other – excessive, taking into account all possible interdependencies of the functioning of the organs and systems that, on the contrary, will lead to excess amount of absolutely useless for clinical interpretation of the data or the mathematical model becomes even more intractable. Our work develops a unified approach to the construction of mathematical models of the kinetics of radiopharmaceuticals with iodine isotopes in the human body during diagnostic and therapeutic procedures of nuclear medicine. Based on this approach, three- and four-compartment pharmacokinetic models were developed and corresponding calculation programs were created in the C++ programming language for processing and evaluating the results of radionuclide diagnostics and therapy. Various methods for identifying model parameters based on quantitative data from radionuclide studies of the functional state of vital organs are proposed. The results of pharmacokinetic modeling for radionuclide diagnostics of the liver, kidney, and thyroid using iodine-containing radiopharmaceuticals are presented and analyzed. Using clinical and diagnostic data, individual pharmacokinetic parameters of transport of different radiopharmaceuticals in the body (transport constants, half-life periods, maximum activity in the organ and the time of its achievement) were determined. It is shown that the pharmacokinetic characteristics for each patient are strictly individual and cannot be described by averaged kinetic parameters. Within the framework of three pharmacokinetic models, “Activity–time” relationships were obtained and analyzed for different organs and tissues, including for tissues in which the activity of a radiopharmaceutical is impossible or difficult to measure by clinical methods. Also discussed are the features and the results of simulation and dosimetric planning of radioiodine therapy of the thyroid gland. It is shown that the values of absorbed radiation doses are very sensitive to the kinetic parameters of the compartment model. Therefore, special attention should be paid to obtaining accurate quantitative data from ultrasound and thyroid radiometry and identifying simulation parameters based on them. The work is based on the principles and methods of pharmacokinetics. For the numerical solution of systems of differential equations of the pharmacokinetic models we used Runge–Kutta methods and Rosenbrock method. The Hooke–Jeeves method was used to find the minimum of a function of several variables when identifying modeling parameters.
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Mathematical methods for stabilizing the structure of social systems under external disturbances
Computer Research and Modeling, 2021, v. 13, no. 4, pp. 845-857The article considers a bilinear model of the influence of external disturbances on the stability of the structure of social systems. Approaches to the third-party stabilization of the initial system consisting of two groups are investigated — by reducing the initial system to a linear system with uncertain parameters and using the results of the theory of linear dynamic games with a quadratic criterion. The influence of the coefficients of the proposed model of the social system and the control parameters on the quality of the system stabilization is analyzed with the help of computer experiments. It is shown that the use of a minimax strategy by a third party in the form of feedback control leads to a relatively close convergence of the population of the second group (excited by external influences) to an acceptable level, even with unfavorable periodic dynamic perturbations.
The influence of one of the key coefficients in the criterion $(\varepsilon)$ used to compensate for the effects of external disturbances (the latter are present in the linear model in the form of uncertainty) on the quality of system stabilization is investigated. Using Z-transform, it is shown that a decrease in the coefficient $\varepsilon$ should lead to an increase in the values of the sum of the squares of the control. The computer calculations carried out in the article also show that the improvement of the convergence of the system structure to the equilibrium level with a decrease in this coefficient is achieved due to sharp changes in control in the initial period, which may induce the transition of some members of the quiet group to the second, excited group.
The article also examines the influence of the values of the model coefficients that characterize the level of social tension on the quality of management. Calculations show that an increase in the level of social tension (all other things being equal) leads to the need for a significant increase in the third party's stabilizing efforts, as well as the value of control at the transition period.
The results of the statistical modeling carried out in the article show that the calculated feedback controls successfully compensate for random disturbances on the social system (both in the form of «white» noise, and of autocorrelated disturbances).
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Bibliographic link prediction using contrast resampling technique
Computer Research and Modeling, 2021, v. 13, no. 6, pp. 1317-1336The paper studies the problem of searching for fragments with missing bibliographic links in a scientific article using automatic binary classification. To train the model, we propose a new contrast resampling technique, the innovation of which is the consideration of the context of the link, taking into account the boundaries of the fragment, which mostly affects the probability of presence of a bibliographic links in it. The training set was formed of automatically labeled samples that are fragments of three sentences with class labels «without link» and «with link» that satisfy the requirement of contrast: samples of different classes are distanced in the source text. The feature space was built automatically based on the term occurrence statistics and was expanded by constructing additional features — entities (names, numbers, quotes and abbreviations) recognized in the text.
A series of experiments was carried out on the archives of the scientific journals «Law enforcement review» (273 articles) and «Journal Infectology» (684 articles). The classification was carried out by the models Nearest Neighbors, RBF SVM, Random Forest, Multilayer Perceptron, with the selection of optimal hyperparameters for each classifier.
Experiments have confirmed the hypothesis put forward. The highest accuracy was reached by the neural network classifier (95%), which is however not as fast as the linear one that showed also high accuracy with contrast resampling (91–94%). These values are superior to those reported for NER and Sentiment Analysis on comparable data. The high computational efficiency of the proposed method makes it possible to integrate it into applied systems and to process documents online.
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Numerical study of the Holstein model in different thermostats
Computer Research and Modeling, 2024, v. 16, no. 2, pp. 489-502Based on the Holstein Hamiltonian, the dynamics of the charge introduced into the molecular chain of sites was modeled at different temperatures. In the calculation, the temperature of the chain is set by the initial data ¡ª random Gaussian distributions of velocities and site displacements. Various options for the initial charge density distribution are considered. Long-term calculations show that the system moves to fluctuations near a new equilibrium state. For the same initial velocities and displacements, the average kinetic energy, and, accordingly, the temperature of the T chain, varies depending on the initial distribution of the charge density: it decreases when a polaron is introduced into the chain, or increases if at the initial moment the electronic part of the energy is maximum. A comparison is made with the results obtained previously in the model with a Langevin thermostat. In both cases, the existence of a polaron is determined by the thermal energy of the entire chain.
According to the simulation results, the transition from the polaron mode to the delocalized state occurs in the same range of thermal energy values of a chain of $N$ sites ~ $NT$ for both thermostat options, with an additional adjustment: for the Hamiltonian system the temperature does not correspond to the initially set one, but is determined after long-term calculations from the average kinetic energy of the chain.
In the polaron region, the use of different methods for simulating temperature leads to a number of significant differences in the dynamics of the system. In the region of the delocalized state of charge, for high temperatures, the results averaged over a set of trajectories in a system with a random force and the results averaged over time for a Hamiltonian system are close, which does not contradict the ergodic hypothesis. From a practical point of view, for large temperatures T ≈ 300 K, when simulating charge transfer in homogeneous chains, any of these options for setting the thermostat can be used.
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Valuation of machines at the random process of their degradation and premature sales
Computer Research and Modeling, 2024, v. 16, no. 3, pp. 797-815The model of the process of using machinery and equipment is considered, which takes into account the probabilistic nature of the process of their operation and sale. It takes into account the possibility of random hidden failures, after which the condition of the machine deteriorates abruptly, as well as the randomly arising need for premature (before the end of its service life) sale of the machine, which requires, generally speaking, random time. The model is focused on assessing the market value and service life of machines in accordance with International Valuation Standards. Strictly speaking, the market value of a used machine depends on its technical condition, but in practice, appraisers only take into account its age, since generally accepted measures of the technical condition of machines do not yet exist. As a result, the market value of a used machine is assumed to be equal to the average market value of similar machines of the corresponding age. For these purposes, appraisers use coefficients that reflect the influence of the age of machines on their market value. Such coefficients are not always justified and do not take into account either the degradation of the machine or the probabilistic nature of the process of its use. The proposed model is based on the anticipation of benefits principle. In it, we characterize the state of the machine by the intensity of the benefits it brings. The machine is subjected to a complex Poisson failure process, and after failure its condition abruptly worsens and may even reach its limit. Situations also arise that preclude further use of the machine by its owner. In such situations, the owner puts the machine up for sale before the end of its service life (prematurely), and the sale requires a random timing. The model allows us to take into account the influence of such situations and construct an analytical relationship linking the market value of a machine with its condition, and calculate the average coefficients of change in the market value of machines with age. At the same time, it is also possible to take into account the influence of inflation and the scrap cost of the machine. We have found that the rate of prematurely sales has a significant impact on the cost of new and used machines. The model also allows us to take into account the influence of inflation and the scrap value of the machine. We have found that the rate of premature sales has a significant impact on the service life and market value of new and used machines. At the same time, the dependence of the market value of machines on age is largely determined by the coefficient of variation of the service life of the machines. The results obtained allow us to obtain more reasonable estimates of the market value of machines, including for the purposes of the system of national accounts.
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Application of correlation adaptometry technique to sports and biomedical research
Computer Research and Modeling, 2017, v. 9, no. 2, pp. 345-354Views (last year): 10.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.
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Features of social interactions: the basic model
Computer Research and Modeling, 2024, v. 16, no. 5, pp. 1323-1335The paper presents the results of research on the creation of a mathematical model of moral choice based on the development of the approach proposed by V. A. Lefebvre. Unlike V. A. Lefebvre, who considered a very speculative situation of a subject’s moral choice between abstract “good” and “evil” under pressure from the outside world, taking into account the subjective perception of this pressure by the subject, our study considers a more mundane and practically significant situation. The case is considered when the subject, when making decisions, is guided by his individual perception of the outside world (which may be distorted, for example, due to external purposeful informational influence on the subject and manipulation of his consciousness), and “good” and “evil” are not abstract, but are conditioned by a value system adopted in a particular society under consideration and tied to a specific ideology/religion, which may be different for different societies.
As a result of the conducted research, a basic mathematical model has been developed, and special cases of its application have been considered. Some patterns related to moral choice are revealed, and their formal description is given. In particular, the situation of manipulation of consciousness is considered in the language of the model, the law of reducing the “morality” of a society consisting of so-called free subjects (that is, those who strive to act in accordance with their intentions and correspond in their actions to the image of their “I”) is formulated.
Keywords: moral choice, mathematical model, intention, readiness function, value system, free subject. -
Reduced mathematical model of blood coagulation taking into account thrombin activity switching as a basis for estimation of hemodynamic effects and its implementation in FlowVision package
Computer Research and Modeling, 2023, v. 15, no. 4, pp. 1039-1067The 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.
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Double-circuit system with clusters of different lengths and unequal arrangement of two nodes on the circuits
Computer Research and Modeling, 2024, v. 16, no. 1, pp. 217-240We study a system that fulfills the class of driving systems developed by A. P. Buslaev (Buslaev networks). In this system, in each of two closed loops there is a segment called a cluster, and it moves at a constant speed if there are no delays. The lengths of the clusters are $l_1^{}$ and $l_2^{}$. There are two common points of the contours, called nodes. Delays in the movement of clusters are due to the fact that two clusters cannot pass through a node at the same time. The contours have the same height, the glazing is accepted. The nodes divide each contour into parts, the length of one of which is equal to $d_i^{}$, and the other $1-d_i^{}$, $i=1,\,2$, — contour number. Studies of the spectrum of average speeds of systems, i.\,e. set of pairs of results $(v_1^{},\,v_2^{})$, where $v_i^{}$ — cluster of average movement speed $i$ taking into account delays, for different initial states and fixed values $l_1^{}$, $l_2^{}$, $d_1^{}$, $d_2^{}$. 12 scenarios of system behavior have been identified, and for each of these manifestations sufficient conditions for its implementation have been found, and each of these observed spectra contains one or two pairs of average velocities.
Keywords: Buslaev networks, limit cycle. -
Interval analysis of vegetation cover dynamics
Computer Research and Modeling, 2020, v. 12, no. 5, pp. 1191-1205In 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.
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