Computer simulation
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Properties of the focusing in simple electrolyte systems using four-pole electrophoretic capillary column was evaluated by a computer simulation. Simulated concentration, pH and conductivity profiles confirm the previous experimentally observed features of the technique, i.e., high concentration capabilities, separation of the ampholytes and proteins into individual adjacent zones, sharp profile of zones and presence of only background electrolyte in the zone. Moreover, the influence of the magnitude of the solvolytic fluxes on the position of the zones in the column is demonstrated.
- MeSH
- elektrická vodivost MeSH
- elektrolyty chemie MeSH
- isoelektrická fokusace metody MeSH
- koncentrace vodíkových iontů MeSH
- myoglobin analýza MeSH
- počítačová simulace * MeSH
- pufry MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Názvy látek
- elektrolyty MeSH
- myoglobin MeSH
- pufry MeSH
A mathematical and computational model described in the previous paper (Gas, B., Coufal, P., Jaros, M., Muzikár, J., Jelínek, L., J. Chromatogr. A 2001, 905, 269-279) is adapted, algorithmized, and a computer program PeakMaster having a status of freeware (http://natur.cuni.cz/ approximately gas) is introduced. The model enables optimization of background electrolyte (BGE) systems for capillary zone electrophoresis. The model allows putting to use uni- or di- or trivalent electrolytes and allows also for modeling highly acidic or alkaline BGEs. It takes into account the dependence of ionic mobilities and dissociation of weak electrolytes on the ionic strength. The model calculates the effective mobility of analytes and predicts parameters of the system that are experimentally available, such as the transfer ratio, which is a measure of the sensitivity in the indirect UV detection or the molar conductivity detection response, which expresses the sensitivity of the conductivity detection. Further, the model enables evaluation of a tendency of the analyte to undergo electromigration dispersion or peak broadening. The suitability of the model is verified by comparison of the predicted results with experiments, even under conditions that are far from ideal (under extreme pH and a high ionic strength).
- MeSH
- algoritmy MeSH
- chemické modely MeSH
- elektroforéza kapilární přístrojové vybavení metody MeSH
- elektrolyty chemie MeSH
- kyseliny karboxylové chemie MeSH
- osmolární koncentrace MeSH
- počítačová simulace * MeSH
- pufry MeSH
- software MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- validační studie MeSH
- Názvy látek
- elektrolyty MeSH
- kyseliny karboxylové MeSH
- pufry MeSH
INTRODUCTION: The ongoing conflict in Ukraine from Russian invasion presents a critical challenge to medical planning in the context of multi-domain battle against a peer adversary deploying conventional weapon systems. The potential escalation of preventable morbidity and mortality, reaching a scale unprecedented since World War II, underscores the paramount importance of effective phases of care from Point of Injury (PoI)/Point of Wounding (PoW) or Point of Exposure (PoE) to Role 1 (R1) and Role 2 (R2) echelons of care.The NATO Vigorous Warrior (VW) Live Exercise (LIVEX) serves as a strategic platform for NATO and its partners, providing an opportunity to challenge operational concepts, experiment, innovate life-saving systems, and foster best practices across the Alliance. MATERIALS AND METHODS: This study delineates the strategic application of the VW LIVEX platform for the adaptation of the computational simulation software Simulation for the Assessment and Optimization of Medical Disaster Management (SIMEDIS) within the context of Large-Scale Combat Operations (LSCO). The SIMEDIS computer simulator plays a pivotal role by furnishing real-time insights into the evolving injury patterns of patients, employing an all-hazards approach. This simulator facilitates the examination of temporal shifts in medical timelines and the ramifications of resource scarcity against both morbidity and mortality outcomes. The VW LIVEX provides a unique opportunity for systematic validation to evaluate the results of the computer simulator in a realistic setting and identify gaps for future concepts of operations. RESULTS: We report the process and methodologies to be evaluated at the VW LIVEX in far forward and retrospective medical support operations. Using the SIMEDIS simulator, we can define battlefield scenarios for varied situations including artillery, drone strikes, and Chemical, Biological, Radiological, Nuclear, and explosive (CBRNe) attacks. Casualty health progressions versus time are dependent on each threat. Mortality is computed based on the concepts found in Tactical Combat Casualty Care (TCCC) of "self-aid"/"buddy-aid" factoring in the application or absence of definitive traumatic hemorrhage control and on the distribution policy of victims to medical treatment facilities through appropriate Command and Control (C2) ("Scoop and Run" versus "Stay and Play"). The number of medical supplies available along with the number of transport resources and personnel are set and are scalable, with their effect on both morbidity and mortality quantified.Concept of Medical Operations can be optimized and interoperability enhanced when shared data are provided to C2 for prospective medical planning with retrospective data. The SIMEDIS simulator determines best practices of medical management for a myriad of injury types and tactical/operational situations relevant to policy making and battlefield medical planning for LSCO. CONCLUSIONS: The VW LIVEX provides a Concept Development and Experimentation platform for SIMEDIS refinement and conclusive insights into medical planning to reduce preventable morbidity and mortality. Recommending further iterations of similar methodologies at other NATO LIVEXs for validation is crucial, as is information sharing across the Alliance and partners to ensure best practice standards are met.
- MeSH
- lidé MeSH
- počítačová simulace * trendy normy statistika a číselné údaje MeSH
- vedení války statistika a číselné údaje MeSH
- vojenské lékařství metody MeSH
- Check Tag
- lidé MeSH
- Publikační typ
- časopisecké články MeSH
- Geografické názvy
- Ukrajina MeSH
Large biomolecular systems are at the heart of many essential cellular processes. The dynamics and energetics of an increasing number of these systems are being studied by computer simulations. Pushing the limits of length- and timescales that can be accessed by current hard- and software has expanded the ability to describe biomolecules at different levels of detail. We focus in this review on the ribosome, which exemplifies the close interplay between experiment and various simulation approaches, as a particularly challenging and prototypic nanomachine that is pivotal to cellular biology due to its central role in translation. We sketch widely used simulation methods and demonstrate how the combination of simulations and experiments advances our understanding of the function of the translation apparatus based on fundamental physics.
- Klíčová slova
- antibiotics, computer simulations, cryo-EM, cryogenic electron microscopy, molecular dynamics, ribosome, translation,
- MeSH
- počítačová simulace MeSH
- ribozomy * MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- přehledy MeSH
For the modeling of systems, the computers are more and more used while the other "media" (including the human intellect) carrying the models are abandoned. For the modeling of knowledges, i.e. of more or less general concepts (possibly used to model systems composed of instances of such concepts), the object-oriented programming is nowadays widely used. For the modeling of processes existing and developing in the time, computer simulation is used, the results of which are often presented by means of animation (graphical pictures moving and changing in time). Unfortunately, the object-oriented programming tools are commonly not designed to be of a great use for simulation while the programming tools for simulation do not enable their users to apply the advantages of the object-oriented programming. Nevertheless, there are exclusions enabling to use general concepts represented at a computer, for constructing simulation models and for their easy modification. They are described in the present paper, together with true definitions of modeling, simulation and object-oriented programming (including cases that do not satisfy the definitions but are dangerous to introduce misunderstanding), an outline of their applications and of their further development. In relation to the fact that computing systems are being introduced to be control components into a large spectrum of (technological, social and biological) systems, the attention is oriented to models of systems containing modeling components.
- MeSH
- počítačová simulace * MeSH
- programovací jazyk MeSH
- teoretické modely * MeSH
- Publikační typ
- časopisecké články MeSH
Composite materials have a wide range of functional properties, which is ensured by using various technological methods of obtaining both the matrix or fillers and the composition as a whole. A special place belongs to the composition formation technology, which ensures the necessary structure and properties of the composite. In this work, a computer simulation was carried out to identify the main dependencies of the behavior of composite materials in the process of the main technological operations of their production: pressing and subsequent sintering. A polymer matrix randomly reinforced with two types of fillers: spherical and short cylindrical inclusions, was used to construct the finite element models of the structure of composites. The ANSYS Workbench package was used as a calculation simulation platform. The true stress-strain curves for tension, Poisson's ratios, and ultimate stresses for composite materials were obtained using the finite element method based on the micromechanical approach at the first stage. These values were calculated based on the stretching diagrams of the matrix and fillers and the condition of the ideality of their joint operation. At the second stage, the processes of mechanical pressing of composite materials were modelled based on their elastic-plastic characteristics from the first stage. The result is an assessment of the accumulation of residual strains at the stage before sintering. The degree of increase in total strain capability of composite materials after sintering was shown.
- Klíčová slova
- ANSYS Workbench, Poisson’s ratio, bearing capacity, polymer matrix, pressing, process innovation, simulation, sintering, strain capability, stress-train curves, ultimate stress,
- Publikační typ
- časopisecké články MeSH
Conducting large-scale solid-state NMR simulations requires fast computer software potentially in combination with efficient computational resources to complete within a reasonable time frame. Such simulations may involve large spin systems, multiple-parameter fitting of experimental spectra, or multiple-pulse experiment design using parameter scan, non-linear optimization, or optimal control procedures. To efficiently accommodate such simulations, we here present an improved version of the widely distributed open-source SIMPSON NMR simulation software package adapted to contemporary high performance hardware setups. The software is optimized for fast performance on standard stand-alone computers, multi-core processors, and large clusters of identical nodes. We describe the novel features for fast computation including internal matrix manipulations, propagator setups and acquisition strategies. For efficient calculation of powder averages, we implemented interpolation method of Alderman, Solum, and Grant, as well as recently introduced fast Wigner transform interpolation technique. The potential of the optimal control toolbox is greatly enhanced by higher precision gradients in combination with the efficient optimization algorithm known as limited memory Broyden-Fletcher-Goldfarb-Shanno. In addition, advanced parallelization can be used in all types of calculations, providing significant time reductions. SIMPSON is thus reflecting current knowledge in the field of numerical simulations of solid-state NMR experiments. The efficiency and novel features are demonstrated on the representative simulations.
Computer-simulated analysis of cell migration was attempted with the aim of improving the discriminative characterization of the in vitro locomotory behaviour of normal and neoplastic cells and verifying a concept of cell movement regulation proposed earlier. It suggested that cell membrane activity and distribution of resting periods along the cell trajectory could be introduced with advantage among the migration parameters; this appeared to be a promising refinement on the standard methodology. Moreover, it was inferred that setting up critical, instead of optimal, conditions for cells in culture should reveal behavioural differences otherwise hidden.
- MeSH
- buněčná membrána fyziologie MeSH
- fenotyp MeSH
- genotyp MeSH
- počítačová simulace * MeSH
- pohyb buněk * MeSH
- software MeSH
- Publikační typ
- časopisecké články MeSH
The authors present in their paper the possibilities of the application of computer graphics and computer animation for visualization of the electric heart field (EHF). They describe the construction of three-dimensional potential maps by the methods of interpolation, perspective projection, hidden line elimination and text generation. They also present a method for making of animation films showing the electric activity of the heart by using 80 three-dimensional potential maps recorded at different intervals over the entire cardiac cycle.
A computer with an appropriate software may greatly contribute to the understanding of relationships and interactions among physiological processes in the body and thus to influence the speed and effectiveness of learning. Presented computer model "The Internal Environment", briefly described in this paper, illustrates this fact. This model allows to simulate behavior of some functional systems in various experimental situations. The subsequent evaluation of the activity changes in these systems can help students to understand and interpret principles of the activity of the homeostatic mechanisms. That is why the computer simulation is an appropriate starting point at seminars where problems of the internal environment stability maintenance are to be discussed.
- MeSH
- homeostáza fyziologie MeSH
- počítačová simulace * MeSH
- Publikační typ
- anglický abstrakt MeSH
- časopisecké články MeSH
