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Search results for: CASP, COVID, EMA, MODEL ACCURACY, PROTEIN STRUCTURE PREDICTION, SARS-COV-2
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Electrochemical simulation of metabolism for antitumor-active imidazoacridinone C-1311 and in silico prediction of drug metabolic reactions
PublicationThe metabolism of antitumor-active 5-diethylaminoethylamino-8-hydroxyimidazoacridinone (C-1311) has been investigated widely over the last decade but some aspects of molecular mechanisms of its metabolic transformation are still not explained. In the current work, we have reported a direct and rapid analytical tool for better prediction of C-1311 metabolism which is based on electrochemistry (EC) coupled on-line with electrospray...
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublicationDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublicationDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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Prediction of energy consumption and evaluation of affecting factors in a full-scale WWTP using a machine learning approach
PublicationTreatment of municipal wastewater to meet the stringent effluent quality standards is an energy-intensive process and the main contributor to the costs of wastewater treatment plants (WWTPs). Analysis and prediction of energy consumption (EC) are essential in designing and operating sustainable energy-saving WWTPs. In this study, the effect of wastewater, hydraulic, and climate-based parameters on the daily consumption of EC by...
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How proteins bind to DNA: target discrimination and dynamic sequence search by the telomeric protein TRF1
PublicationTarget search as performed by DNA-binding proteins is a complex process, in which multiple factors contribute to both thermodynamic discrimination of the target sequence from overwhelmingly abundant off-target sites and kinetic acceleration of dynamic sequence interrogation. TRF1, the protein that binds to telomeric tandem repeats, faces an intriguing variant of the search problem where target sites are clustered within short fragments...
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Lateral forces determine dimensional accuracy of the narrow‑kerf sawing of wood
PublicationThe shrinking global forest area limits the supply of industrially usable raw resources. This, in combination with the ever‑increasing consumption of timber due to population growth can lead to the lack of a positive balance between the annual volumetric growth and consumption of wood. An important innovation toward increasing environmental and economic sustainability of timber production is to reduce the volume of wood residues...
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Reconstruction of 3D structure of positive corona streamer by local methods
PublicationThe computer algorithms were used for reconstruction of streamer 3D structure. We propose the 3D tree structure model of corona discharge streamer composed with nodes and edges between chosen couples of nodes, which enables easy computation of some important parameters ofstreamers. The 3D model can be derived directly from two projection images by global methods like evolutionary searching or particle simulations. In this paper...
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Identification of evolutionary conserved DNA sequence and corresponding S21 ribosomal protein region for diagnostic purposes of all Borrelia spirochetes
PublicationIt is still under investigation, whether all Borrelia sp. causing Lyme borreliosis and other diseases are already identified and properly classified as human pathogens. For this reason, it is of great importance to develop a diagnostic ELISA test that detects all Borrelia sp. The aim of this study was to identify conserved DNA and protein regions present in all currently known Borrelia sp. In experimental studies 31 available Borrelia...
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Functional and spatial structure analysis – Lower Sopot (Dolny Sopot) district case study, study proposal no 2, February 2021
Open Research DataThe data presents results of work within the studies of the conditions of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 2, from February 2021. The goal of the research process was to present the functional and spatial structure analysis of the area located in Lower Sopot (Dolny Sopot) district in the...
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Minimal 2-dominating sets in Trees
PublicationWe provide an algorithm for listing all minimal 2-dominating sets of a tree of order n in time O(1.3247^n). This leads to that every tree has at most 1.3247^n minimal 2-dominating sets. We also show that thisbound is tight.
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Quality Control of Bacterial Extracellular Vesicles with Total Protein Content Assay, Nanoparticles Tracking Analysis, and Capillary Electrophoresis
PublicationExtracellular vesicles (EVs) were isolated from Pectobacterium zantedeschiae culturing media using direct ultracentrifugation (UC), iodixanol cushion ultracentrifugation (ICUC), and iodixanol density gradient ultracentrifugation (IDGUC) techniques. The isolates were characterized with total protein content assay (bicinchoninic acid assay, BCA), nanoparticles tracking analysis (NTA), and capillary electrophoresis (CE). A satisfactory...
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Deposition of phosphate coatings on titanium within scaffold structure
PublicationPurpose: Existing knowledge about the appearance, thickness, and chemical composition of phosphate coatings on titanium inside porous structures is insufficient. Such knowledge is important for the design and fabrication of porous implants. Methods: Metallic scaffolds were fabricated by selective laser melting of 316L stainless steel powder. Phosphate coatings were deposited on Ti sensors placed either outside the scaffolds or...
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Investigating COVID-19 active pharmaceutical ingredients (APIs) degradation using Peroxydisulfate/FeMnOx binary metal oxide/Ultrasound System
PublicationDegradation of Favipiravir using a hybrid system of peroxydisulfate, FeMnOx binary metal oxide, and ultrasound irradiation was studied. A novel catalyst was synthesized with deep eutectic solvent (DES). The effects of DES type on catalytic performance was evaluated and the catalysts were characterized using XRD, SEM, BET, XPS, and EDS. DES-based catalysts exhibited higher efficiency due to structure change, surface area enhancement...
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Organic solvents aggregating and shaping structural folding of protein, a case study of the protease enzyme
PublicationLow solubility of reactants or products in aqueous solutions can result in the enzymatic catalytic reactions that can occur in non-aqueous solutions. In current study we investigated aqueous solutions containing different organic solvents / deep eutectic solvents (DESs) that can influence the protease enzyme's activity, structural, and thermal stabilities. Retroviral aspartic protease enzyme is responsible for the cleavage of the...
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Structure of FUS revenues after the first half of 2020
Open Research DataIn 2020 the fund received a subsidy from the state budget in the amount of PLN 20.1 billion, which constitutes 60.0% of the plan. At the same time, it should be mentioned that from 2019 the subsidy covers funds that in previous years were shown in the item reimbursement of contributions transferred to OFE. In addition, from May this year. The Social...
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Structural Properties and Water Uptake of SrTi1−xFexO3−x/2−δ
PublicationIn this work, Fe-doped strontium titanate SrTi1−xFexO3−x/2−δ, for x = 0–1 (STFx), has been fabricated and studied. The structure and microstructure analysis showed that the Fe amount in SrTi1−xFexO3−x/2−δ has a great influence on the lattice parameter and microstructure, including the porosity and grain size. Oxygen nonstoichiometry studies performed by thermogravimetry at different atmospheres showed that the Fe-rich compositions...
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Structure of EstA esterase from psychrotrophic Pseudoalteromonas sp. 643A covalently inhibited by monoethylphosphonate.
PublicationThe crystal structure of the esterase EstA from the cold-adapted bacteriumPseudoalteromonas sp. 643A was determined in a covalently inhibited form at aresolution of 1.35 A˚. The enzyme has a typical SGNH hydrolase structureconsisting of a single domain containing a five-stranded beta-sheet, with threehelices at the convex side and two helices at the concave side of the sheet, and isornamented with a couple of very short helices...
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Endocrine responses following exhaustive strength exercise with and without the use of protein and protein-carbohydrate supplements
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Exploring COVID-19 Conspiracy Theories: Education, Religiosity, Trust in Scientists, and Political Orientation in 26 European countries
PublicationThe COVID-19 virus disseminated globally at an accelerated pace, culminating in a worldwide pandemic; it engendered a proliferation of spurious information and a plethora of misinformation and conspiracy theories (CTs). While many factors contributing to the propensity for embracing conspiracy ideation have been delineated, the foremost determinant influencing individuals’ proclivity towards CT endorsement appears to be their...
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RYNEK PRACY w dobie pandemii COVID-19 na przykładzie Azerbejdżanu i Polski
PublicationNieoczekiwane pojawienie się pandemii COVID-19 spowodowało prawdziwą rewolucję w wielu sektorach gospodarek na całym świecie. Jedne z nich dotknięte zostały bardziej niż inne, a z kolei niektóre, jak na przykład branża e-commerce, kurierska, EdTech – edukacja online, przeżywały wręcz prawdziwy rozkwit. W zasadzie można powiedzieć, że każde państwo odczuwa skutki pandemii, zwłaszcza te negatywne, choć oczywiście uwarunkowane jest...
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COVID-19 immunizations in occupational medicine
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Triage during the COVID-19 pandemic
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A comparative analysis of the effectiveness of corporate bankruptcy prediction models based on financial ratios: Evidence from Colombia, 2008 to 2015
PublicationLogit and discriminant analyses have been used for corporate bankruptcy prediction in several studies since the last century. In recent years there have been dozens of studies comparing the several models available, including the ones mentioned above and also probit, artificial neural networks, support vector machines, among others. For the first time for Colombia, this paper presents a comparative analysis of the effectiveness...
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Quantum corrections to quasi-periodic solution of Sine-Gordon model and periodic solution of phi^4 model
PublicationAnalytical form of quantum corrections to quasi-periodic solution of Sine-Gordon model and periodic solution of phi^4 model is obtained through zeta function regularisation with account of all rest variables of a d-dimensional theory. Qualitative dependence of quantum corrections on parameters of the classical systems is also evaluated for a much broader class of potentials u(x) = b^2 f(bx) + C with b and C as arbitrary real constants
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Accuracy improvement of the prestressed concrete structures precise geometry assessment by use of bubble micro-sampling algorithm
PublicationPrestressed concrete structures are well-known technology for a vast period, but nevertheless, this very technology is a leading solution, currently used in construction industry. Prestressed concrete structures have a huge advantage over conventional methods because it uses the properties of concrete in a very efficient way. The main idea behind this technology is to introduce into the cross-section of the structure, the internal...
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Impulse measurement accuracy of transmission line earthings
PublicationLinie przesyłowe elektroenergetyczne są wyposażone w przewody odgromowe łączące wierzchołki konstrukcji poszczególnych słupów. Zastosowana metoda pomiarów z użyciem udarów prądowych pozwala ocenić rezystancę uziemienia bez odłączania przewodów uziemiających od konstrukcji słupa. W pracy zamieszczono wyniki symulacji komputerowych i pomiarów rzeczywistych uziomów wskazujące, że wpływ równoległego połączenia uziemień całej linii...
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Method for improving multibeam sonar bearing accuracy
PublicationPrzedstawiono prostą metodę poprawy dokładności namiarów w sonarach wielowiązkowych. Zasada zaproponowanej metoda jest zbliżona do metody monopulsowej stosowanej powszechnie w radarach i sonarach. Nie wymaga jednak ręcznego lub automatycznego obracania wiązek, co wydatnie zmniejsza potrzebne nakłady obliczeniowe procesorów sonaru Stosowanie metody daje znaczne zmniejszenie błędów namiarów przy względnie dużym wyjściowym stosunku...
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Measurement accuracy of the system to control the microwave heating.
PublicationPrzedstawiono skrótowo zasadę pracy i konstrukcję systemu do badań naukowych procesów grzania mikrofalowego. Wyprowadzono wyrażenie opisujące wartość średniokwadratową błędu pomiaru energii mikrofalowej i przeanalizowano składowe błędu pomiaru powodowane przez rzeczywiście występujące w układzie pomiarowym parametry techniczne jego części mikrofalowej.
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On some accuracy limiting factors in wood sawing
PublicationPrzedstawiono szczegółową klasyfikację czynników determinujących dokładność przecinania drewna piłami. Uwzględniono w niej również pozorną utratę dokładności wynikającą z anatomicznej budowy drewna i metody pomiaru (wykorzystywanie lasera). Występujące błędy przecinania zobrazowano szeregiem przykładów z badań doświadczalnych.
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Diagnostic Accuracy of Liquid Biopsy in Endometrial Cancer
PublicationBackground: Liquid biopsy is a minimally invasive collection of a patient body fluid sample. In oncology, they offer several advantages compared to traditional tissue biopsies. However, the potential of this method in endometrial cancer (EC) remains poorly explored. We studied the utility of tumor educated platelets (TEPs) and circulating tumor DNA (ctDNA) for preoperative EC diagnosis, including histology determination. Methods:...
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Position accuracy evaluation of the modernized Polish DGPS
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Orthotropic membrane as a mechanical model of surgical implant in abdominal hernia repair
PublicationEven though the incisional hernia repair surgery is a well known procedure, mechanical properties of the tissue-implant system are unknown so the implantation of the repairing mesh is quite intuitive and, recurrences of the illness still take place. The main objective of the study is to define an operated hernia model that can be used for surgery planning and the assessment of the repair persistence. The load applied to the structure...
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Synthesis and structural characterization of novel 2-benzimidazolylthioureas: adducts of natural isothiocyanatesand 2-amino-1-methylbenzimidazole
PublicationNa drodze syntezy chemicznej uzyskano addukty naturalnych izotiocyjanianów - alilu, benzylu i fenyloetylu i 2-amino-1-metylobenzoimidazolu. W następstwie optymalizacji warunków reakcji, poszczególne 2-benzimidazolilotiomoczniki otrzymano produkty z umiarkowanymi wydajnościami. Strukturę molekularną i krystaliczną produktów scharakteryzowano przy użyciu metod spektroskopowych i X-ray. Analiza uzyskanych widm pozwoliła stwierdzić,...
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Statistical Tuning of Walfisch-Ikegami Model for the Untypical Environment
PublicationThe Walfisch-Ikegami model has been investigated in terms of mobile radio systems designing in the untypical environment such as the maritime container terminal. The measurement equipment and procedures have been described as well as characteristics of investigated environment. Results of the statistical tuning in terms of path loss estimation in such environment have been analysed. The analysis has proved improvement of the path...
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Statistical Tuning of Walfisch-Ikegami Model for the Untypical Environment
PublicationThe Walfisch-Ikegami model has been investigated in terms of mobile radio systems designing in the untypical environment such as the maritime container terminal. The measurement equipment and procedures have been described as well as characteristics of investigated environment. Results of the statistical tuning in terms of path loss estimation in such environment have been analysed. The analysis has proved improvement of the path...
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Hierarchical 2-step neural-based LEGO bricks detection and labeling
PublicationLEGO bricks are extremely popular and allow the creation of almost any type of construction due to multiple shapes available. LEGO building requires however proper brick arrangement, usually done by shape. With over 3700 different LEGO parts this can be troublesome. In this paper, we propose a solution for object detection and annotation on images. The solution is designed as a part of an automated LEGO bricks arrangement. The...
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High-Precision FIR-Model-Based Dynamic Weighing System
PublicationConveyor belt-type checkweighers are increasingly popular components of modern production lines. They are used to assess the weight of the produced items in motion, i.e., without stopping them on the weighing platform. The main challenge one faces when designing a dynamic weighing system is providing high measurement accuracy, especially at high conveyor belt speeds. The approach proposed in this paper can be characterized as a...
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Adaptive prediction of stock exchange indices by state space wavelet networks
PublicationThe paper considers the forecasting of the Warsaw Stock Exchange price index WIG20 by applying a state space wavelet network model of the index price. The approach can be applied to the development of tools for predicting changes of other economic indicators, especially stock exchange indices. The paper presents a general state space wavelet network model and the underlying principles. The model is applied to produce one session...
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Identification, cloning, expression, and characterizationof a highly thermostable single-stranded-DNA-binding protein (SSB) from Deinococcus murrayi
PublicationZidentyfikowano i scharakteryzowano białko SSB-podobne, pochodzące z Deinococcus murrayi (DmuSSB). Otrzymany w reakcji PCR fragment zawierający kompletny gen ssb sklonowano w systemie ekspresyjnym Escherichia coli. Gen składa się z 826 nt, kodujących 276 reszt aminokwasowych z wyliczoną teoretycznie masą cząsteczkową monomeru równą 30,14 kDa. DmuSSB zawiera dwie domeny wiążące jednoniciowe DNA OBna monomer I funkcjonuje jako homodimer....
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A model development and experimental verification for a vapour microturbine with a permanent magnet synchronous generator
PublicationVapour microturbines with permanent magnet synchronous generators are implemented in micropower plants for dispersed power generation systems. The dynamic model of such a microturbine set was developed and presented. The developed relations result from the generic equations. Experimental data for two different working medium were used for model verification. A microturbine set model was tested during the changes in the parameters...
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Strain energy density and entire fracture surface parameters relationship for LCF life prediction of additively manufactured 18Ni300 steel
PublicationIn this study, the connection between total strain energy density and fracture surface topography is investigated in additively manufactured maraging steel exposed to low-cycle fatigue loading. The specimens were fabricated using laser beam powder bed fusion (LB-PBF) and examined under fully-reversed strain-controlled setup at strain amplitudes scale from 0.3% to 1.0%. The post-mortem fracture surfaces were explored using a non-contact...
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Topochemical, Single‐Crystal‐to‐Single‐Crystal [2+2] Photocycloadditions Driven by Chalcogen‐Bonding Interactions
PublicationThe face-to-face association of (E)-1,2-di(4-pyridyl)ethylene (bpen) molecules into rectangular motifs stabilized for the first time by chalcogen bonding (ChB) interactions is shown to provide photoreactive systems leading to cyclobutane formation through single-crystal-to-single-crystal [2+2] photodimerizations. The chelating chalcogen bond donors are based on original aromatic, ortho-substituted bis(selenocyanato)benzene derivatives...
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Advanced Lithium-Ion Battery Model for Power System Performance Analysis
PublicationThe paper describes a novel approach in battery storage system modelling. Different types of lithium-ion batteries exhibit differences in performance due to the battery anode and cathode materials being the determining factors in the storage system performance. Because of this, the influence of model parameters on the model accuracy can be different for different battery types. These models are used in battery management system...
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ESG investing during the Covid-19 crisis. Evidence from Central European Stock Exchanges
PublicationAs COVID-19 turned into a global pandemic, world markets gradually began to recover after initial dynamic declines. Restrictions, and their subsequent loosening, were, and are, not without significance for the financial markets. These particular circumstances provide a unique opportunity to contribute to the literature by focusing on the potential resilience of ESG (environmental, social and governance) investing in an era of crisis....
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Modelling of spirometry - the application for diagnostic purposes
PublicationThe process of the tissue oxygen supply is the fundamental process of the human life. The lung functioning consists of three processes: the ventilation, the perfusion and the diffusion. The paper deals with one of these processes which is the ventilation process. The quality of the pulmonary ventilation has a strong influence on the patient's health condition. Numerous limitations are imposed on conditions of the lung quality measurement,...
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CoRBAC – kontekstowo zorientowany model bezpieczeństwa
PublicationZaproponowano uogólniony model kontroli dostępu do usługowych systemów internetowych uwzględniający różne kategorie kontekstu. Określono wpływ kontekstu na model jak i architekturę systemu bezpieczeństwa. Podano przykład implementacji modelu i architektury bezpieczeństwa dla zestawu usług dotyczących e-uczelni i wstępnie oszacowano zalety takiego rozwiązania.
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A cryptic ribosome binding site, false signals in reporter systems and avoidance of protein translation chaos
PublicationThe expression of reporter gene may be induced by activation of cryptic signalling sequences, as we found while constructing the mutS-lacZ fusion gene. We cloned the Escherichia coli lacZ gene encoding beta-galactosidase into a plasmid vector carrying the Thermus thermophilus mutS gene. The clones expected to produce beta-galactosidase as the C-terminal fusion were selected for the complementation of beta-galactosidase activity...
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Model of identification of events and accident scenarios for a method of risk and safety assessment of ships in damaged conditions
PublicationW pracy opisano podstawowe problemy związane z identyfikacją zdarzeń i scenariuszy wypadku oraz modelowaniem ryzyka dla alternatywnej metody oceny bezpieczeństwa statków w stanie uszkodzonym. Zastosowano podejście do bezpieczeństwa statków oparte na ocenie zachowania się statku i ocenie ryzyka wypadku. Wskazano możliwości zastosowania modelowania do analizy bezpieczeństwa statków na etapie projektowania, w czasie eksploatacji i...
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JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Journals -
Testing HIADAC high impedance analyzer in Trento University laboratory on Baunier's RC model using 2 wire probe
Open Research DataThe dataset presents impedance spectrum of Baunier's RC model. This object was used to test high-impedance analyzer for diagnostic of anticorossion coatings (HIADAC) realized in the frame of Eureka project E!3174. The impedance spectrum frequency range (1 mHz – 100 kHz) was selected in order to test the whole measureement range of the analyzer. In...