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Mathematical modeling the kinetics and calculation of dosimetric characteristics of osteotropic radiopharmaceutical drugs
Computer Research and Modeling, 2022, v. 14, no. 3, pp. 647-660In Russian medicine two radiopharmaceuticals are currently used for radionuclide therapy of bone metastases: 89Sr-chloride and 153Sm-oxabifor. The first one has many side effects, so its use is limited. The second one is available only in clinics, its transportation to which does not take much time. Currently, the third radiopharmaceutical 188Re-solerene is undergoing clinical trials. Due to the generator method of obtaining 188Re, this radiopharmaceutical should become available for use in many regions of our country. Therefore, there is a need for a comparative analysis of the characteristics of these radiopharmaceuticals, including on the basis of mathematical modeling.
The article discusses the features of mathematical modeling the kinetics of osteotropic radiopharmaceutical drugs in the human body with bone metastases. Based on the four-compartment model, a complex of modeling and calculation of pharmacokinetic and dosimetric characteristics of radiopharmaceuticals for radionuclide therapy of bone metastases was developed and tested. Using clinical data, the transport constants of the model were identified and the individual characteristics of Russian radiopharmaceuticals labeled 89Sr, 153Sm and 188Re were calculated (effective half-lives, maximum activity in the compartments and the times of their achievement, absorbed doses to bone tissue and metastases, endosteal bone layer, red bone marrow, blood, kidneys and bladder). The time activity dependencies for all compartments of the model are obtained and analyzed. A comparative analysis of the pharmacokinetics and dosimetry of three radiopharmaceuticals (89Sr-chloride, 153Sm-oxabiphore, 188Re-solerene) was carried out.
From a comparative analysis of the pharmacokinetic and dosimetric characteristics of these radiopharmaceutical drugs, it follows that the best of them for widespread use in many regions of our country should be 188Re-solerene, taking into account the generator method of obtaining 188Re in a hospital.
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Analysis of predictive properties of ground tremor using Huang decomposition
Computer Research and Modeling, 2024, v. 16, no. 4, pp. 939-958A method is proposed for analyzing the tremor of the earth’s surface, measured by means of space geodesy, in order to highlight the prognostic effects of seismicity activation. The method is illustrated by the example of a joint analysis of a set of synchronous time series of daily vertical displacements of the earth’s surface on the Japanese Islands for the time interval 2009–2023. The analysis is based on dividing the source data (1047 time series) into blocks (clusters of stations) and sequentially applying the principal component method. The station network is divided into clusters using the K-means method from the maximum pseudo-F-statistics criterion, and for Japan the optimal number of clusters was chosen to be 15. The Huang decomposition method into a sequence of independent empirical oscillation modes (EMD — Empirical Mode Decomposition) is applied to the time series of principal components from station blocks. To provide the stability of estimates of the waveforms of the EMD decomposition, averaging of 1000 independent additive realizations of white noise of limited amplitude was performed. Using the Cholesky decomposition of the covariance matrix of the waveforms of the first three EMD components in a sliding time window, indicators of abnormal tremor behavior were determined. By calculating the correlation function between the average indicators of anomalous behavior and the released seismic energy in the vicinity of the Japanese Islands, it was established that bursts in the measure of anomalous tremor behavior precede emissions of seismic energy. The purpose of the article is to clarify common hypotheses that movements of the earth’s crust recorded by space geodesy may contain predictive information. That displacements recorded by geodetic methods respond to the effects of earthquakes is widely known and has been demonstrated many times. But isolating geodetic effects that predict seismic events is much more challenging. In our paper, we propose one method for detecting predictive effects in space geodesy data.
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Computational algorithm for solving the nonlinear boundary-value problem of hydrogen permeability with dynamic boundary conditions and concentration-dependent diffusion coefficient
Computer Research and Modeling, 2024, v. 16, no. 5, pp. 1179-1193The article deals with the nonlinear boundary-value problem of hydrogen permeability corresponding to the following experiment. A membrane made of the target structural material heated to a sufficiently high temperature serves as the partition in the vacuum chamber. Degassing is performed in advance. A constant pressure of gaseous (molecular) hydrogen is built up at the inlet side. The penetrating flux is determined by mass-spectrometry in the vacuum maintained at the outlet side.
A linear model of dependence on concentration is adopted for the coefficient of dissolved atomic hydrogen diffusion in the bulk. The temperature dependence conforms to the Arrhenius law. The surface processes of dissolution and sorptiondesorption are taken into account in the form of nonlinear dynamic boundary conditions (differential equations for the dynamics of surface concentrations of atomic hydrogen). The characteristic mathematical feature of the boundary-value problem is that concentration time derivatives are included both in the diffusion equation and in the boundary conditions with quadratic nonlinearity. In terms of the general theory of functional differential equations, this leads to the so-called neutral type equations and requires a more complex mathematical apparatus. An iterative computational algorithm of second-(higher- )order accuracy is suggested for solving the corresponding nonlinear boundary-value problem based on explicit-implicit difference schemes. To avoid solving the nonlinear system of equations at every time step, we apply the explicit component of difference scheme to slower sub-processes.
The results of numerical modeling are presented to confirm the fitness of the model to experimental data. The degrees of impact of variations in hydrogen permeability parameters (“derivatives”) on the penetrating flux and the concentration distribution of H atoms through the sample thickness are determined. This knowledge is important, in particular, when designing protective structures against hydrogen embrittlement or membrane technologies for producing high-purity hydrogen. The computational algorithm enables using the model in the analysis of extreme regimes for structural materials (pressure drops, high temperatures, unsteady heating), identifying the limiting factors under specific operating conditions, and saving on costly experiments (especially in deuterium-tritium investigations).
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Comprehensive analysis of copper ions effect on the primary processes of photosynthesis in Scenedesmus quadricauda based on chlorophyll a fluorescence measurements in suspension and on single cells
Computer Research and Modeling, 2025, v. 17, no. 2, pp. 293-322The effect of copper ions on the primary processes of photosynthesis in freshwater microalgae Scenedesmus quadricauda was studied using a set of biophysical and mathematical methods. Chlorophyll a fluorescence transients were recorded both in cell suspensions and at the level of single cells after incubation at copper concentrations of 0.1–10 $\mu$M under light and dark conditions. It was found that copper has a dose-dependent effect on the photosynthetic apparatus of microalgae. At low copper concentration (0.1 $\mu$M), a stimulating effect on a number of studied parameters was observed, whereas significant disruption of Photosystem II activity was detected at 10 $\mu$M. The method of analyzing fluorescence of single cells proved to be more sensitive compared to traditional suspension measurements, allowing the detection of heterogeneous cellular responses to the toxicant. Analysis of chlorophyll a fast fluorescence kinetics showed that the JIP-test parameters $\delta_{Ro}$ and $\varphi_{Ro}$ were the most sensitive to copper exposure and were significantly different from the control when exposed not only to high but also to medium (1 $\mu$M) copper concentrations. The decrease in photochemical activity of cells during light incubation was less pronounced compared to dark conditions. The application of data normalization to optical density at $\lambda = 455$ nm significantly increased the sensitivity of the method and accuracy of result interpretation. The use of L1-regularization (LASSO) by the least angles method (LARS) for the spectral multi-exponential approximation of the fluorescence transients allowed us to reveal their temporal characteristics. Mathematical analysis of the obtained data suggested that copper exposure leads to increased non-photochemical quenching of fluorescence, which serves as a protective mechanism for dissipating excess excitation energy. The revealed heterogeneity of cellular responses to copper action may have important ecological significance, ensuring the survival of part of the population under stress conditions. The obtained data confirm the promise of using fluorescent analysis methods for early diagnosis of heavy metal stress effects on photosynthesizing organisms.
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Classifier size optimisation in segmentation of three-dimensional point images of wood vegetation
Computer Research and Modeling, 2025, v. 17, no. 4, pp. 665-675The advent of laser scanning technologies has revolutionized forestry. Their use made it possible to switch from studying woodlands using manual measurements to computer analysis of stereo point images called point clouds.
Automatic calculation of some tree parameters (such as trunk diameter) using a point cloud requires the removal of foliage points. To perform this operation, a preliminary segmentation of the stereo image into the “foliage” and “trunk” classes is required. The solution to this problem often involves the use of machine learning methods.
One of the most popular classifiers used for segmentation of stereo images of trees is a random forest. This classifier is quite demanding on the amount of memory. At the same time, the size of the machine learning model can be critical if it needs to be sent by wire, which is required, for example, when performing distributed learning. In this paper, the goal is to find a classifier that would be less demanding in terms of memory, but at the same time would have comparable segmentation accuracy. The search is performed among classifiers such as logistic regression, naive Bayes classifier, and decision tree. In addition, a method for segmentation refinement performed by a decision tree using logistic regression is being investigated.
The experiments were conducted on data from the collection of the University of Heidelberg. The collection contains hand-marked stereo images of trees of various species, both coniferous and deciduous, typical of the forests of Central Europe.
It has been shown that classification using a decision tree, adjusted using logistic regression, is able to produce a result that is only slightly inferior to the result of a random forest in accuracy, while spending less time and RAM. The difference in balanced accuracy is no more than one percent on all the clouds considered, while the total size and inference time of the decision tree and logistic regression classifiers is an order of magnitude smaller than of the random forest classifier.
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Using Docker service containers to build browser-based clinical decision support systems (CDSS)
Computer Research and Modeling, 2026, v. 18, no. 1, pp. 133-147The article presents a technology for building clinical decision support systems (CDSS) based on service containers using Docker and a web interface that runs directly in the browser without installing specialized software on workstation of a clinician. A modular architecture is proposed in which each application module is packaged as an independent service container combining a lightweight web server, a user interface, and computational components for medical image processing. Communication between the browser and the server side is implemented via a persistent bidirectional WebSocket connection with binary message serialization (MessagePack), which provides low latency and efficient transfer of large data. For local storage of images and analysis of results, browser facilities (IndexedDB with the Dexie.js wrapper) are used to speed up repeated data access. Three-dimensional visualization and basic operations with DICOM data are implemented with Three.js and AMI.js: this toolchain supports the integration of interactive elements arising from the task context (annotations, landmarks, markers, 3D models) into volumetric medical images.
Server components and functional modules are assembled as a set of interacting containers managed by Docker. The paper discusses the choice of base images, approaches to minimizing containers down to runtime-only executables without external utilities, and the organization of multi-stage builds with a dedicated build container. It describes a hub service that launches application containers on user request, performs request proxying, manages sessions, and switches a container from shared to exclusive mode at the start of computations. Examples of application modules are provided (fractional flow reserve estimation, quantitative flow ratio computation, aortic valve closure modeling), along with the integration of a React-based interface with a three-dimensional scene, a versioning policy, automated reproducibility checks, and the deployment procedure on the target platform.
It is demonstrated that containerization ensures portability and reproducibility of the software environment, dependency isolation and scalability, while the browser-based interface provides accessibility, reduced infrastructure requirements, and interactive real-time visualization of medical data. Technical limitations are noted (dependence on versions of visualization libraries and data formats) together with practical mitigation measures.
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On the investigation of plasma turbulence by the analysis of the spectra
Computer Research and Modeling, 2012, v. 4, no. 4, pp. 793-802Views (last year): 2. Citations: 4 (RSCI).The article describes the examples of the analysis of the experimental data spectra for identifying typical structures of processes forming plasma turbulence. The method is based on the original algorithm which is close to the one-sample bootstrap. The base model for description of the fine structure of stochastic processes is finite local-scale normal mixtures. For finding the statistical estimates (maximum likelihood estimates) well known EM algorithm is used. The efficiency of the proposed research technique is demonstrated for a number of spectra’s set obtained in different modes of low-frequency plasma turbulence.
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The analysis of respiratory reactions of the person in the conditions of the changed gas environment on mathematical model
Computer Research and Modeling, 2017, v. 9, no. 2, pp. 281-296Views (last year): 5.The aim of the work was to study and develop methods of forecasting the dynamics of the human respiratory reactions, based on mathematical modeling. To achieve this goal have been set and solved the following tasks: developed and justified the overall structure and formalized description of the model Respiro-reflex system; built and implemented the algorithm in software models of gas exchange of the body; computational experiments and checking the adequacy of the model-based Lite-ture data and our own experimental studies.
In this embodiment, a new comprehensive model entered partial model modified version of physicochemical properties and blood acid-base balance. In developing the model as the basis of a formalized description was based on the concept of separation of physiologically-fi system of regulation on active and passive subsystems regulation. Development of the model was carried out in stages. Integrated model of gas exchange consisted of the following special models: basic biophysical models of gas exchange system; model physicochemical properties and blood acid-base balance; passive mechanisms of gas exchange model developed on the basis of mass balance equations Grodinza F.; chemical regulation model developed on the basis of a multifactor model D. Gray.
For a software implementation of the model, calculations were made in MatLab programming environment. To solve the equations of the method of Runge–Kutta–Fehlberga. It is assumed that the model will be presented in the form of a computer research program, which allows implements vat various hypotheses about the mechanism of the observed processes. Calculate the expected value of the basic indicators of gas exchange under giperkap Britain and hypoxia. The results of calculations as the nature of, and quantity is good enough co-agree with the data obtained in the studies on the testers. The audit on Adek-vatnost confirmed that the error calculation is within error of copper-to-biological experiments. The model can be used in the theoretical prediction of the dynamics of the respiratory reactions of the human body in a changed atmosphere.
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Mathematical investigation of antiangiogenic monotherapy effect on heterogeneous tumor progression
Computer Research and Modeling, 2017, v. 9, no. 3, pp. 487-501Views (last year): 10. Citations: 2 (RSCI).In the last decade along with classical cytotoxic agents, antiangiogenic drugs have been actively used in cancer chemotherapy. They are not aimed at killing malignant cells, but at blocking the process of angiogenesis, i.e., the growth of new vessels in the tumor and its surrounding tissues. Agents that stimulate angiogenesis, in particular, vascular endothelial growth factor, are actively produced by tumor cells in the state of metabolic stress. It is believed that blocking of tumor neovascularization should lead to a shortage of nutrients flow to the tumor, and thus can stop, or at least significantly slow down its growth. Clinical practice on the use of first antiangiogenic drug bevacizumab has shown that in some cases such therapy does not influence the growth rate of the tumor, whereas for other types of malignant neoplasms antiangiogenic therapy has a high antitumor effect. However, it has been shown that along with successful slowing of tumor growth, therapy with bevacizumab can induce directed tumor progression to a more invasive, and therefore more lethal, type. These data require theoretical analysis and rationale for the evolutionary factors that lead to the observation of epithelial-mesenchymal transition. For this purpose we have developed a spatially distributed mathematical model of growth and antiangiogenic therapy of heterogeneous tumor consisting of two subpopulations of malignant cells. One of subpopulations possesses inherent characteristics of epithelial phenotype, i.e., low motility and high proliferation rate, the other one corresponds to mesenchymal phenotype having high motility and low proliferation rate. We have performed the investigation of competition between these subpopulations of heterogeneous tumor in the cases of tumor growth without therapy and under bevacizumab monotherapy. It is shown that constant use of antiangiogenic drug leads to an increase of the region in parameter space, where the dominance of mesenchymal phenotype takes place, i.e., within a certain range of parameters in the absence of therapy epithelial phenotype is dominant but during bevacizumab administration mesenchymal phenotype begins to dominate. This result provides a theoretical basis of the clinically observed directed tumor progression to more invasive type under antiangiogenic therapy.
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Signal and noise calculation at Rician data analysis by means of combining maximum likelihood technique and method of moments
Computer Research and Modeling, 2018, v. 10, no. 4, pp. 511-523Views (last year): 11.The paper develops a new mathematical method of the joint signal and noise calculation at the Rice statistical distribution based on combing the maximum likelihood method and the method of moments. The calculation of the sough-for values of signal and noise is implemented by processing the sampled measurements of the analyzed Rician signal’s amplitude. The explicit equations’ system has been obtained for required signal and noise parameters and the results of its numerical solution are provided confirming the efficiency of the proposed technique. It has been shown that solving the two-parameter task by means of the proposed technique does not lead to the increase of the volume of demanded calculative resources if compared with solving the task in one-parameter approximation. An analytical solution of the task has been obtained for the particular case of small value of the signal-to-noise ratio. The paper presents the investigation of the dependence of the sought for parameters estimation accuracy and dispersion on the quantity of measurements in experimental sample. According to the results of numerical experiments, the dispersion values of the estimated sought-for signal and noise parameters calculated by means of the proposed technique change in inverse proportion to the quantity of measurements in a sample. There has been implemented a comparison of the accuracy of the soughtfor Rician parameters’ estimation by means of the proposed technique and by earlier developed version of the method of moments. The problem having been considered in the paper is meaningful for the purposes of Rician data processing, in particular, at the systems of magnetic-resonance visualization, in devices of ultrasonic visualization, at optical signals’ analysis in range-measuring systems, at radar signals’ analysis, as well as at solving many other scientific and applied tasks that are adequately described by the Rice statistical model.
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