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Wyniki wyszukiwania dla: IN SILICO METABOLISM PREDICTION
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Impact of obesity on cardiovascular health
Publikacja -
A history of the physical and chemical stability of pharmaceuticals : a review
Publikacja: There is a great need for a broad range review of stability tests of active pharmaceutical ingredients (APIs) in comparison with current requirements contained in the pharmacopoeia. This review focuses on a pharmaceutical history of physical and chemical stability determination. Traditional knowledge must be considered in the context of physical stability, while new knowledge must be applied and acquired in terms of identification...
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Wideband Modeling of DC-DC Buck Converter with GaN Transistors
PublikacjaThe general wideband modeling method of the power converter is presented on the example of DC-DC buck converter with GaN High Electron Mobility Transistors (HEMT). The models of all basic and parasitic components are briefly described. The two methods of Printed Circuit Board (PCB) layout parameter extraction are presented. The results of simulation in Saber@Sketch simulation software and measurements are compared. Next, the model...
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Lattice filter based multivariate autoregressive spectral estimation with joint model order and estimation bandwidth adaptation
PublikacjaThe problem of parametric, autoregressive model based estimation of a time-varying spectral density function of a multivariate nonstationary process is considered. It is shown that estimation results can be considerably improved if identification of the autoregressive model is carried out using the two-sided doubly exponentially weighted lattice algorithm which combines results yielded by two one-sided lattice algorithms running...
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Geo-engineering computer simulation seems attractive but is it the real world?
PublikacjaCorrect formulation of the differential equation system for equilibriom conditions of subsoil, especially in terms of controlled numerical calculation, is discussed. The problem of solution stability is also considered. The solution of problems, which are ill-posed, have no practical value in the majority of cases and is this way the engineering prognosis can lead to real disaster. The object of this paper is quite relevant if...
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Modeling of Performance, Reliability and Energy Efficiency in Large-Scale Computational Environments
PublikacjaLarge scale of complexity of distributed computational systems imposes special challenges for prediction of quality in such systems. Existing quality models for lower-scale systems include functionality, performance, reliability, flexibility and usability. Among these attributes, performance and reliability have a particular significance to the large-scale systems computing quality modeling due to their strong dependence on the...
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Endothelial Dysfunction Driven by Hypoxia—The Influence of Oxygen Deficiency on NO Bioavailability
PublikacjaCardiovascular diseases (CVDs) are the leading cause of death worldwide. The initial stage of CVDs is characterized by endothelial dysfunction, defined as the limited bioavailability of nitric oxide (NO). Thus, any factors that interfere with the synthesis or metabolism of NO in endothelial cells are involved in CVD pathogenesis. It is well established that hypoxia is both the triggering factor as well as the accompanying factor...
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In Vitro and In Vivo Imaging-Based Evaluation of Doxorubicin Anticancer Treatment in Combination with the Herbal Medicine Black Cohosh
PublikacjaAs a substitution for hormone replacement therapy, many breast cancer patients use black cohosh (BC) extracts in combination with doxorubicin (DOX)-based chemotherapy. In this study, we evaluated the viability and survival of BC- and DOX-treated MCF-7 cells. A preclinical model of MCF-7 xenografts was used to determine the influence of BC and DOX administration on tumor growth and metabolism. The number of apoptotic cells after...
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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublikacjaThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
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Assessment of Trajectories of Non-bankrupt and Bankrupt Enterprises
PublikacjaThe aim of this study is to show how long-term trajectories of enterprises can be used to increase the forecasting horizon of bankruptcy prediction models. The author used seven popular forecasting models (two from Europe, two from Asia, two from North America and one from Latin America). These models (five multivariate discriminant analysis models and two logit models) were used to develop 17-year trajectories separately for non-bankrupt...
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Prognozowanie krzywej osiadania pala wierconego z iniekcją ciśnieniową pod podstawą
PublikacjaArtykuł jest kontynuacją tematyki autora dotyczącą mechanizmu działania iniekcji ciśnieniowej pod podstawą pala wierconego. W poprzednich publikacjach, autor wykazał, że iniekcja ta w głównej mierze uaktywnia zwiększone opory gruntu wzdłuż pobocznicy pala. Na tej podstawie w niniejszym artykule zaprezentowano procedurę obliczeniową prognozowania krzywą osiadania pala wierconego z iniekcją ciśnieniową pod podstawą. Przedstawiono...
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Improving Effectiveness of SVM Classifier for Large Scale Data
PublikacjaThe paper presents our approach to SVM implementation in parallel environment. We describe how classification learning and prediction phases were pararellised. We also propose a method for limiting the number of necessary computations during classifier construction. Our method, named one-vs-near, is an extension of typical one-vs-all approach that is used for binary classifiers to work with multiclass problems. We perform experiments...
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Decisional-DNA-Based Digital Twin Implementation Architecture for Virtual Engineering Objects
PublikacjaDigital twin (DT) is an enabling technology that integrates cyber and physical spaces. It is well-fitted for manufacturing setup since it can support digitalized assets and data analytics for product and process control. Conventional manufacturing setups are still widely used all around the world for the fabrication of large-scale production. This article proposes a general DT implementation architecture for engineering objects/artifacts...
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Amberlyst-15 catalysed synthesis of novel indole derivatives under ultrasound irradiation: Their evaluation as serotonin 5‑HT2C receptor agonists
PublikacjaA series of indole based novel Schiff bases was designed as potential agonists of 5‑HT2C receptor that was supported by docking studies in silico. These compounds were synthesized via Amberlyst-15 catalysed condensation of an appropriate pyrazole based primary amine with the corresponding indole-3-aldehyde under ultrasound irradiation at ambient temperature. A number of target Schiff bases were obtained...
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A Highly Selective Biosensor Based on Peptide Directly Derived from the HarmOBP7 Aldehyde Binding Site
PublikacjaThis paper presents the results of research on determining the optimal length of a peptide chain to eectively bind octanal molecules. Peptides that map the aldehyde binding site in HarmOBP7 were immobilized on piezoelectric transducers. Based on computational studies, four Odorant Binding Protein-derived Peptides (OBPPs) with dierent sequences were selected. Molecular modelling results of ligand docking with selected peptides were...
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Targeting Spike‐ACE2 Interface of SARS‐CoV‐2 and its Omicron Variant: A Comparative Screening of Potential Inhibitors for Existing and Anticipating Variants Using Molecular Modelling Approach
PublikacjaThe recent COVID pandemic has shown major impact on public health and economic crisis. Despite the development of many vaccines and drugs against the severe acute respiratory syndrome (SARS) coronavirus 2, the pandemic still persists. The continued spread of the virus is largely driven by the emergence of viral variants such as α, β, γ, delta, epsilon spike, omicron and its subvariants (BA.1,2,3) which can evade the current vaccines...
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Glutathione-mediated conjugation of anticancer drugs: an overview of reaction mechanisms and biological significance for drug detoxification and bioactivation.
PublikacjaThe effectiveness of many anticancer drugs depends on the creation of specific metabolites that may alter their therapeutic or toxic properties. One significant route of biotransformation is a conjugation of electrophilic compounds with reduced glutathione, which can be non-enzymatic and/or catalyzed by glutathione-dependent enzymes. Glutathione usually combines with anticancer drugs and/or their metabolites to form more polar...
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How pesticides affect neonates? - Exposure, health implications and determination of metabolites
PublikacjaThis review covers key information related to the effects of pesticides on fetal and child health. All humans are exposed to environmental toxicants, however child's health, due to their high vulnerability, should be of special concern. They are continuously exposed to environmental xenobiotics including a wide variety of pesticides, and other pollutants. These compounds can enter the child's body through various routes, both during...
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Bioaccumulation of metals in tissues of marine animals, Part II - metal concentrations in animal tissues
PublikacjaThe bioaccumulation of metals in an animal depends on a multitude of factors: biotic ones, like its body dimensions and mass, age, sex, diet, metabolism and position in the trophic web, as well as abiotic ones such as the distribution of metals in its environment, the salinity, temperature and pH of the water, habitat type, interactions with other metals. But it is diet that has the greatest influence on the accumulation of metals...
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Cabbage Juices and Indoles Modulate the Expression Profile of AhR, ERα, and Nrf2 in Human Breast Cell Lines
PublikacjaOur previous studies showed the diversified effect of cabbage juices and indoles on the estrogen metabolism key enzymes (CYP1A1, CYP1A2, CYP1B1) in breast epithelial cells differing in ER status, i.e., in tumorigenic—MCF7, MDA-MB-231 and non-tumorigenic—MCF10A cells. The aim of the present study was to further investigate the mechanism of chemopreventive action of cabbage juice and its active components by evaluating their effect...
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MODELLING OF TRANSIENT FLOW IN STORM SEWERS
PublikacjaThe paper focuses on the assessment of second-order explicit numerical scheme for unsteady flows in sewers. In order to simulate the pressurized flow the 'Preissmann slot' concept is implemented. For simulation of the transcritical flow the original and improved McCormack scheme is used. The calculated results are compared with numerical solutions and laboratory measurements published in the technical literature. Moreover, the...
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Observing its long-term effects on a short-term, multi-day evaluation of the effectiveness of hearing aid use
PublikacjaThe main objective of the research study was to develop a method for evaluating the effectiveness of hearing protection with hearing aids tailored to the needs and prevailing conditions in the acoustic environments where the elderly most often reside. The method was also intended to estimate the benefits of hearing aids and allow prediction of such an effect based on a short-term trial. It is noteworthy that a short-term evaluation...
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Concrete mix design using machine learning
PublikacjaDesigning a concrete mix is a process of synthesizing many components, it is not a simple process and requires extensive technical knowledge. The design process itself focuses on obtaining the required strength of concrete. Very often designing a concrete mix takes into account the need to maintain the proper water-demand and frost-resistance features. The parameters that influence the concrete class most significantly are the...
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Proceedings of the fib Symposium 2019: Concrete - Innovations in Materials, Design and Structures 2019
PublikacjaDesigning a concrete mix is a process of synthesizing many components, it is not a simple process and requires extensive technical knowledge. The design process itself focuses on obtaining the required strength of concrete. Very often designing a concrete mix takes into account the need to maintain the proper water-demand and frost-resistance features. The parameters that influence the concrete class most significantly are the...
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Combination of instrumental and qualitative descriptive analysis for evaluation of selected tonic waters quality features
PublikacjaThe combination of sensory and instrumental analysis was applied for quality assurance of selected tonic waters. The Quantitative Descriptive Analysis (QDA) in terms of fourteen sensory attributes (aroma, astringency, bite, burn, numbing, tongue heaviness, carbonation, mouth coating, sweet taste, sour taste, bitter taste, sweet aftertaste, sour aftertaste, bitter aftertaste) of selected tonic waters was performed by sensory experts....
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Adaptacyjny algorytm filtracji sygnału fonokardiograficznego wykorzystujący sztuczną sieć neuronową
PublikacjaPodstawowym problemem podczas projektowania systemu autodiagnostyki chorób serca, bazującego na analizie sygnału fonokardiograficznego (PCG), jest konieczność zapewnienia, niezależnie od warunków zewnętrznych, sygnału o wysokiej jakości. W artykule, bazując na zdolności Sztucznej Sieci Neuronowej (SSN) do predykcji sygnałów periodycznych oraz quasi-periodycznych, został opracowany adaptacyjny algorytm filtracji dźwięków serca....
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Liniowe i nieliniowe modele wielowymiarowej kalibracji do predykcji stężenia substancji z pomiarów woltamperometrycznych
PublikacjaPomiary woltamperometryczne znajdują zastosowanie w wielu dziedzinach nauki i techniki, np. w przemyśle farmaceutycznym. Dane uzyskane w wyniku takich pomiarów zawierają informację odnośnie rodzaju i stężenia badanej substancji, jednakże są one często kłopotliwe w bezpośredniej interpretacji. Z tego powodu, istnieje konieczność wykorzystania odpowiednich metod matematycznych, które umożliwiają uzyskanie bezpośredniej i precyzyjnej...
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MESOSCALE FUNCTIONS OF GPS SLANT DELAY
PublikacjaThe paper presents a computer module for GPS slant delay determination using data from COAMPS (Coupled Ocean/Atmosphere Mesoscale Prediction System) mesoscale non-hydrostatic model of the atmosphere which is run on IA64 Feniks computer cluster in the Department of Civil Engineering and Geodesy of the Military University of Technology. The slant delay is the result of integrating the ray (eikonal) equation for the spatial function...
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Estimation of the steam condensation flow via CFD methods
PublikacjaThe results of numerical simulations to predict the performance of different steam models have been presented. All of the considered models of steam condensation have been validated on the base of benchmark experiment employing expansion in nozzle and next on the low pressure part of the steam turbine stage. For numerical analysis three models have been finally used – the ideal steam model without condensation, an equilibrium steam...
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Localization of impulsive disturbances in archive audio signals using predictive matched filtering
PublikacjaThe problem of elimination of impulsive disturbances from archive audio signals is considered and its new solution, called predictive matched filtering, is proposed. The new approach is based on the observation that a large percentage of noise pulses corrupting archive audio recordings have highly repetitive shapes that match several typical “patterns”, called click templates. To localize noise pulses, click templates can be correlated...
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A city and a wind farm. Landscape perspective
PublikacjaThe aim of the paper is to present the problems of the location of the wind farms in close neighbourhood to the historical cities, and the ways to minimize the potential landscape threats. The production of clean energy is obligatory in EU. In spite of how positive to the environment the wind energy production is, it may cause negative effects. The results of landscape studies of two towns in Poland prove that the location of such...
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Robustness Analysis of a Distributed MPC Control System of a Turbo-Generator Set of a Nuclear Plant – Disturbance Issues
PublikacjaTypically, there are two main control loops with PI controllers operating at each turbo-generator set. In this paper, a distributed model predictive controller with local quadratic model predictive controllers for the turbine generator is proposed instead of a set of classical PI controllers. The local quadratic predictive controllers utilize step-response models for the controlled system components. The parameters of these models...
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Bioactivities of Phenolic Compounds from Kiwifruit and Persimmon
PublikacjaFruit used in the common human diet in general, and kiwifruit and persimmon particularly, displays health properties in the prevention of heart disease. This study describes a combination of bioactivity, multivariate data analyses and fluorescence measurements for the differentiating of kiwifruit and persimmon, their quenching and antioxidant properties. The metabolic differences are shown, as well in the results of bioactivities...
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Evaluation of Partial Nitritation/Anammox (PN/A) Process Performance and Microorganisms Community Composition under Different C/N Ratio
PublikacjaA one-stage partial nitritation/anammox (PN/A) process with intermittent aeration is possible under sidestream conditions, but implementation in a mainstream is a challenge due to increased Carbon/Nitrogen (C/N) ratios in domestic wastewater. This study investigated the effect of C/N ratios on process efficiency and the effect of narrowing non-aeration time on process improvement at high chemical oxygen demand (COD) load. An increase...
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Clinical studies of detecting COVID-19 from exhaled breath with electronic nose
PublikacjaThe COVID‑19 pandemic has attracted numerous research studies because of its impact on society and the economy. The pandemic has led to progress in the development of diagnostic methods, utilizing the polymerase chain reaction (PCR) as the gold standard for coronavirus SARS‑CoV‑2 detection. Numerous tests can be used at home within 15 min or so but of with lower accuracy than PCR. There is still a need for point‑of‑care tests available...
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Bioavailability of Tannins and Other Oligomeric Polyphenols: a Still to Be Studied Phenomenon
PublikacjaPurpose of Review Polyphenols are a group of plant secondary metabolites characterized with the presence ofmultiples of phenol structural units. Tannins are plant originated phenolic substances, which play an important role in plant defense system as well as have found applications in medicine, industry, and other fields of human activity. Despite these, the mechanisms of bioavailability of these substances are poorly studied and...
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Anticancer Imidazoacridinone C-1311 is Effective in Androgen-Dependent and Androgen-Independent Prostate Cancer Cells
PublikacjaAndrogen receptor (AR) plays a crutial role in prostate cancer (PCa) development and metastasis. Here, we reported potent anti-PCa activity of a small molecule imidazoacridinone C-1311. In AR-positive PCa cells, C-1311 was found to inhibit the transcriptional activity of AR uncovering a novel mechanism that may be relevant for its anticancer effect. Mechanistically, C-1311 decreased AR binding to prostate-specific antigen (PSA)...
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Safety assurance strategies for autonomous vehicles
PublikacjaAssuring safety of autonomous vehicles requires that the vehicle control system can perceive the situation in the environment and react to actions of other entities. One approach to vehicle safety assurance is based on the assumption that hazardous sequences of events should be identified during hazard analysis and then some means of hazard avoidance and mitigation, like barriers, should be designed and implemented. Another approach...
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Developing Prognostic Models of Organization Evolution
PublikacjaThe work focuses on the problem of measuring evolution of IT organizations. Changes in business influence functioning of the IT organization. IT departments or companies must ensure that the needs of their parent company/customers will be met. Therefore they must constantly evolve. Following question can be raised: is it possible to support process of changes the IT organization to run it smoother, faster, easier but with reduced...
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Natural ventilation performance of family building in cold climate during windy days
PublikacjaAdequately designed natural ventilation is the cheapest and easiest way to effectively remove indoor pollutants and keep the fresh air inside a building. A prediction of performance and effectiveness of ventilation in order to determine the design of a ventilation system can provide real and long term cost savings. The paper presents results of performance (air change rate ACH) and effectiveness (CO2 concentration in the breathing...
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Study of Noise Propagation for Small Vessels
PublikacjaThe paper presents the results of the noise propagation analysis in ship structures tested in a number of AHTS (Anchor Handling Tug Supply) vessels. Statistical Energy Analysis (SEA) based on numerical model developed specially for the purpose of this numerical investigation were conducted. This numerical model enabled the analysis of both the structural elements and the acoustic spaces. For the detailed studies 47 points fixed...
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Two Stage SVM and kNN Text Documents Classifier
PublikacjaThe paper presents an approach to the large scale text documents classification problem in parallel environments. A two stage classifier is proposed, based on a combination of k-nearest neighbors and support vector machines classification methods. The details of the classifier and the parallelisation of classification, learning and prediction phases are described. The classifier makes use of our method named one-vs-near. It is...
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Influence of pitting corrosion on fatigue and corrosion fatigue of ship and offshore structures. Part II: Load - pit crack interaction
PublikacjaIn the paper has been discussed influence of stresses on general corrosion rate and corrosion pit nucleation and growth rate, whose presence has been questioned by some authors but accepted by most of them. Influence of pit walls roughness on fatigue life of a plate suffering pit corrosion and presence of so called "non damaging" pits which never lead to initiation of fatigue crack, has been presented. Possibility of prediction...
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Calibration of precipitation estimation algorithm with particular emphasis on the Pomeranian region using high performance computing
PublikacjaFast and accurate precipitation estimation is an important element of remote atmosphere monitoring, as it allows, for example, to correct short-term weather forecasts and the prediction of several types of meteorological threats. The paper presents methodology for calibrating precipitation estimation algorithm based on MSG SEVIRI sensor data, and Optimal Cloud Analysis product available via EumetCast transmission. Calibration is...
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Ultrawideband transmission in physical channels: a broadband interference view
PublikacjaThe superposition of multipath components (MPC) of an emitted wave, formed by reflections from limiting surfaces and obstacles in the propagation area, strongly affects communication signals. In the case of modern wideband systems, the effect should be seen as a broadband counterpart of classical interference which is the cause of fading in narrowband systems. This paper shows that in wideband communications, the time- and frequency-domain...
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Outlier detection method by using deep neural networks
PublikacjaDetecting outliers in the data set is quite important for building effective predictive models. Consistent prediction can not be made through models created with data sets containing outliers, or robust models can not be created. In such cases, it may be possible to exclude observations that are determined to be outlier from the data set, or to assign less weight to these points of observation than to other points of observation....
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Ionosphere variability I: Advances in observational, monitoring and detection capabilities
PublikacjaThe paper aims to review recent advances regarding the observational and monitoring capabilities of the ionization conditions in the Earth's upper atmosphere. The analysis spans both ground and space-based experiments, seeking for new installations and/or missions, new or upgraded instrumentation and/or observational network establishments as means for advancing current understanding and prediction ability of the ionosphere variability....
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Road traffic can be predicted by machine learning equally effectively as by complex microscopic model
PublikacjaSince high-quality real data acquired from selected road sections are not always available, a traffic control solution can use data from software traffic simulators working offline. The results show that in contrast to microscopic traffic simulation, the algorithms employing neural networks can work in real-time, so they can be used, among others, to determine the speed displayed on variable message road signs. This paper describes...
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Accuracy of Pretreatment Ultrasonography Assessment of Intra-Abdominal Spread in Epithelial Ovarian Cancer: A Prospective Study
PublikacjaThe aim of this study was to test the accuracy of ultrasonography performed by gynecological oncologists for the preoperative assessment of epithelial ovarian cancer (EOC) spread in the pelvis and abdominal cavity. A prospective, observational cohort study was performed at a single tertiary cancer care unit. Patients with suspected EOC were recruited and underwent comprehensive transvaginal and abdominal ultrasonography performed...
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An adaptive-noise Augmented Kalman Filter approach for input-state estimation in structural dynamics
PublikacjaThe establishment of a Digital Twin of an operating engineered system can increase the potency of Structural Health Monitoring (SHM) tools, which are then bestowed with enhanced predictive capabilities. This is particularly relevant for wind energy infrastructures, where the definition of remaining useful life is a main driver for assessing the efficacy of these systems. In order to ensure a proper representation of the physical...