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Search results for: PARAMETER-BINDING CONDITIONS
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Mechanism of reaction of RNA-dependent RNA polymerase from SARS-CoV-2
PublicationWe combine molecular dynamics, statistical mechanics, and hybrid quantum mechanics/molecular mechanics simulations to describe mechanistically the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) RNA-dependent RNA polymerase (RdRp). Our study analyzes the binding mode of both natural triphosphate substrates as well as remdesivir triphosphate (the active form of drug), which is bound preferentially over ATP by RdRp while...
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BINDER COURSES USING COLD RECYCLED MIXTURES – A NOVEL CONCEPT IN COLD RECYCLING
PublicationCold recycling with cement and bituminous emulsion is one of the most environmentally friendly techniques to maximize the reuse of reclaimed asphalt (RA) collected during demolition of roads. Cold recycled mixtures are commonly used for base courses in construction or rehabilitation of flexible and semi-rigid pavements. Current experiences demonstrated that cold recycling with appropriate requirements and technical recommendations...
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Geometrically nonlinear FEM analysis of FGM shells based on neutral physical surface approach in 6-parameter shell theory
PublicationThe paper presents the formulation of the elastic constitutive law for functionally graded materials (FGM) on the grounds of nonlinear 6-parameter shell theory with the 6th parameter being the drilling degree of freedom. The material law is derived by through-the-thickness integration of the Cosserat plane stress equations. The constitutive equations are formulated with respect to the neutral physical surface. The influence of...
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Identification and characterization of single-stranded-DNA-binding proteins from Thermus thermophilus and Thermus aquaticus - new arrangement of binding domains
PublicationOkreślono molekularne właściwości białek SSB-podobnych z Thermus thermophi-lus i T. aquaticus. Zbadano aktywność białek oraz termostabilność. Ponadto, dowiedziono homodimeryczność obu białek i ustalono minimalną sekwencję wiążącą ssDNA.
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The analysis of the conditions for best practices’ transfer
PublicationOne of the tasks of the Project Partners was identifying best practices in strengthening the economic activity of women and older people in the context of developing the competitiveness and innovation of SMEs, as well as determining the possibilities and conditions of their transfer. Transfer in this case is understood as the implementation of selected and described solutions in enterprises and public organizations from all the...
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Rapid Variable-Resolution Parameter Tuning of Antenna Structures Using Frequency-Based Regularization and Sparse Sensitivity Updates
PublicationGeometry parameter tuning is an inherent part of antenna design process. While most often performed in a local sense, it still entails considerable computational expenses when carried out at the level of full-wave electromagnetic (EM) simulation models. Moreover, the optimization outcome may be impaired if good initial design is not available. This paper proposes a novel approach to fast and improved-reliability gradient-based...
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Novel Interpolation Method of Multi-DFT-Bins for Frequency Estimation of Signal with Parameter Step Change
PublicationThe IpDFT(Interpolation Discrete Fourier Trans-form) method is one of the most commonly used non-parametric methods. However, when a parameter (frequency, amplitude or phase) step changes in the DFT period, the DFT coefficients will be distorted seriously, resulting in the large estimation error of the IpDFT method. Hence, it is a key challenge to find an IpDFT method, which not only can eliminate the effect of the step-changed...
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Laminated shells in nonlinear six-parameter shell theory
PublicationW pracy proponowany jest związek konstytutywny dla powłoki warstwowej w ramach 6-paramatrowej nieliniowej teorii powłok z miarami odkształceń jak w ośrodku Cosseratów. Zaletą podejścia jest bezpośrednie zastosowanie inżynierskich stałych materiałowych.
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Neural-Network-Based Parameter Estimations of Induction Motors
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The Effect of Spikes Occurrence on Surface Texture Parameter Assessments
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Parameter estimation of a discrete model of a reinforced concrete slab
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On the use of bilinear transformation for parameter identification of anticorrosion coatings
PublicationW artykule przedstawiono metodę identyfikacji parametrów powłok antykorozyjnych modelowanych wieloelementowymi układami zastępczymi. Metoda wykorzystuje właściwości przekształcenia biliniowego, które umożliwia przedstawienie funkcji układowej wieloparametrowego modelu jako funkcji każdego indywidualnego parametru. Odwrotne przekształcenie biliniowe pozwala na wyznaczenie wartości każdego z parametrów modelu z osobna na podstawie...
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Parameter and delay estimation of linear continuous-time systems
PublicationIn this paper the problem of on-line identification of non-stationary delay systems is considered. Dynamics of supervised industrial processes is described by ordinary differential equations. Discrete-time mechanization of their continuous-time representations is based on dedicated finite-horizon integrating filters. Least-squares and instrumental variable procedures implemented in recursive forms are applied for simultaneous identification...
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Parameter and delay estimation of linear continuous-time systems
PublicationIn this paper the problem of on-line identification of non-stationary delay systems is considered. Dynamics of supervised industrial processes is usually described by ordinary differential equations. Discrete-time mechanization of their continuous-time representations is based on dedicated finite-horizon integrating filters. Least-squares and instrumental variable procedures implemented in recursive forms are applied for simultaneous...
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Modelling method for a class of distributed-lumped parameter systems
PublicationThe paper presents an alternative approach for modelling and order reduction of continuous system. The proposed methodology combines application of two methods: the modal decomposition method and the rigid finite element method. The given continuous structure is divided into 1D continuous substructures. For each 1D substructure modal decomposition and reduction procedure is applied. Interactions between substructures are described...
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Nonlinear FEM 2D failure onset prediction of composite shells based on 6-parameter shell theory
PublicationWithin the framework of the nonlinear 6-parameter shell theory with the drilling rotation and asymmetric stress measures, the modifications of Tsai-Wu and Hashin laminate failure initiation criteria are proposed. These improvements enable to perform first ply failure estimations taking into account the non-symmetric stress measures. In order to check the validity of the proposed criteria, finite element analyses are performed with...
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Different types of solvability conditions for differential operators
PublicationSolvability conditions for linear differential equations are usually formulated in terms of orthogonality of the right-hand side to solutions of the homogeneous adjoint equation. However, if the corresponding operator does not satisfy the Fredholm property such solvability conditions may be not applicable. For this case, we obtain another type of solvability conditions, for ordinary differential equations on the real axis, and...
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Advantageous conditions of saccharification of lignocellulosic biomass for biofuels generation via fermentation processes
PublicationProcessing of lignocellulosic biomass includes four major unit operations: pre-treatment, hydrolysis, fermentation and product purifcation prior to biofuel generation via anaerobic digestion. The microorganisms involved in the fermentation metabolize only simple molecules, i.e., monosugars which can be obtained by carrying out the degradation of complex polymers, the main component of lignocellulosic biomass. The object of this...
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Structured populations with diffusion and Feller conditions
PublicationWe prove a weak maximum principle for structured population models with dynamic boundary conditions. We establish existence and positivity of solutions of these models and investigate the asymptotic behaviour of solutions. In particular, we analyse so called size profile.
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Experimental investigation and process parameter optimization of sheet metal bending by line heating method
PublicationThe present study is concerned with the experimental investigation of sheet metal deforming by line heating method that incorporates the combined effect of traverse speed of the torch, thickness of the sheet metal, and the number of passes of the torch. For the numerical analysis of metal bending by line heating, the
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Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublicationThe thermally induced self-healing mechanisms in metallopolymers based on bisterpyridine complexes of iron(II) sulfate and cadmium(II) bromide, respectively, were studied by means of combined quantum mechanical/molecular mechanical (QM/MM) simulations and Raman spectroscopy. Two possible healing schemes, one based on a decomplexation of the cross-linking complexes and a second one relying on the dissociation of ionic clusters,...
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Receptor for advanced glycation end‐products: Biological significance and imaging applications
PublicationThe receptor for advanced glycation end-products (RAGE or AGER) is a transmembrane, immunoglobulin-like receptor that, due to its multiple isoform structures, binds to a diverse range of endo- and exogenous ligands. RAGE activation caused by the ligand binding initiates a cascade of complex pathways associated with producing free radicals, such as reactive nitric oxide and oxygen species, cell proliferation, and immunoinflammatory...
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Defining a novel domain that provides an essential contribution to site-specific interaction of Rep protein with DNA
PublicationAn essential feature of replication initiation proteins is their ability to bind to DNA. In this work, we describe a new domain that contributes to a replication initiator sequence-specific interaction with DNA. Applying biochemical assays and structure prediction methods coupled with DNA–protein crosslinking, mass spectrometry, and construction and analysis of mutant proteins, we identified that the replication initiator of the...
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Speciation of heavy metals in bottom sediments of drinking water reservoir for Gdansk, Poland – changes over the 14 years
PublicationThere was conducted a comparative study of the concentrations of heavy metals (Zn, Cu, Pb, and Cd) in the surface layer of sediments collected in two investigation periods: 1999–2000 and 2013. Theresults demonstrated that the degree of metals pollution decreased over time. The contamina-tion factors (Cf) calculated for Zn, Cu, Pb, and Cd were respectively 3.63, 3.86, 3.23, and 3.25 in the first period of research and 1.35, 3.42,...
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Structural, functional, and stability change predictions in human telomerase upon specific point mutations,
PublicationOverexpression of telomerase is one of the hallmarks of human cancer. Telomerase is important for maintaining the integrity of the ends of chromosomes, which are called telomeres. A growing number of human disease syndromes are associated with organ failure caused by mutations in telomerase (hTERT or hTR). Mutations in telomerase lead to telomere shortening by decreasing the stability of the telomerase complex, reducing its accumulation,...
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COMPUTER ANALYSIS OF HYDRAULIC CONDITIONS IN A SANITARY CHAMBER
PublicationThis paper presents analysis of hydraulic conditions of sewage flow down the slipway (ramp) in the collecting sanitary chamber connecting 3 collectors on the inlet: ⌀600, ⌀800 and ⌀1400 and one on the outlet ⌀1600 mm, with a maximum difference of elevation 5 m. The mathematical model has been made and hydraulic calculations were carried out in steady flow conditions. Then wastewater surface elevation, energy grade line elevation,...
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Recycling of waste tires in the light of binding law in Poland
PublicationA risings of large quantities of used rubber products, especially used tires has been increasing every year in Poland, in 2006 it was 160 thousand. The waste management and recycling of used tires become a major environmental problem. Well known methods of utilization of used tires are presented in this article. The main problem is ignorance of the law by tyre manufactures and users. In Poland first act on waste introduces ban...
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DAF - and collagen-binding properties of chimeric Dr fimbriae
PublicationEkspozycja białek heterologicznych na powierzchni mikroorganizmów jest jedną z nowych strategii stosowanych w mikrobiologii, biotechnologii oraz projektowaniu nowoczesnych szczepionek. W niniejszej pracy zbadano możliwość wykorzystania białka podjednostkowego DraE fimbrii Dr uropatogennych szczepów Escherichia coli jako nośnika heterologicznych sekwencji. W rejon odpowiadający N-terminalnej domenie 2 białka DraE wprowadzono epitopową...
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Resonant Conditions in a Node with an SVC Compensator
PublicationThe primary purpose of installing static shunt compensators in power grids is to improve the voltage conditions. Additional reactive power sources increase the system’s voltage stability and enable faster system recovery after a voltage failure. This paper presents the impact of an SVC device’s structure and settings on impedance change in the supply system, and hence on the frequencies at which resonance phenomena can develop.
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Geometrically nonlinear FEM analysis of 6-parameter resultant shell theory based on 2-D Cosserat constitutive model
PublicationWe develop the elastic constitutive law for the resultant statically and kinematically exact, nonlinear, 6-parameter shell theory. The Cosserat plane stress equations are integrated through-the- thickness under assumption of the Reissner-Mindlin kinematics. The resulting constitutive equations for stress resultant and couple resultants are expressed in terms of two micropolar constants: the micropolar modulus Gc and the micropolar...
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Sound velocity and parameter of nonlinearity in the two-component relaxing mixtures
PublicationRozpatruje się własności akustyczne mieszanki dwuskładnikowej zawierającej gaz doskonały i parę cieczy bądź pył ciała stałego. Dokładne obliczenia pozwoliły na wyprowadzenie prędkości dźwięku i parametru nieliniowości jako funkcji koncentracji jednej ze składowych mieszaniny przy zadanych warunkach równowagowych. Przedstawiono wzory ogólne oraz symulacje numeryczne.
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Accuracy and parameter estimation of elastic and viscoelastic models of water hammer
PublicationW artykule analizowany jest zagadnienie uderzenia hydraulicznego, stanowiące jeden z najważniejszych problemów nieustalonego przepływu w przewodach pod ciśnieniem. Mimo ponad stuletnich doświadczeń w badaniach zagadnienie to jest ciągle nie w pełni rozpoznane. Może być onio rozpatrywane na dwóch płaszczyznach - praktycznej i teoretycznej. W obu przypadkach na etapie rozwiązania powstają problemy sprawiające, że wyniki nie są satysfakcjonujące....
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Frequencies selection for accelerated cnls parameter identification of anticorrosion coatings
PublicationArtykuł przedstawia zmodyfikowaną metodę CNLS dopasowywania widma impedancyjnego dla identyfikacji parametrów obiektów technicznych. Liczba częstotliwości pomiarowych została ograniczona do liczby identyfikowanych parametrów, a ich wartości są dobierane w oparciu o różne kryteria. Jako obiekt testowy wybrano model powłoki antykorozyjnej. Wyniki symulowanej identyfikacji przeanalizowano pod kątem dokładności i zmniejszenia czasu...
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A new OSS design based on parameter sensitivity tochanges in measurements
PublicationW wyniku istniejących silnych ograniczeń praktycznych i etycznych nałożonych na eksperymenty medyczne, procedura estymacji parametrów w diagnozie i terapii jest często zagadnieniem skomplikowanym. Jeśli dane pomiarowe pobierane są w postaci próbek krwi, liczba tych próbek, a także czas obserwacji powinny być zminimalizowane. Optymalizacja eksperymentu polega na optymalizacji odpowiedniego sformułowanego kryterium będącego funkcją...
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Approximate models and parameter analysis of the flow process in transmission pipelines
Publicationthe paper deals with the problem of early leak detection in transmission pipelines. First we present the derivation of state-space equations of the flow process in the pipelines. This description is then aggregated in order to obtain a principal model. Next, the problem of process model parameterization is addressed, taking into account the maximization of a model stability margin. The location of the maximum is determined using...
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On–line Parameter and Delay Estimation of Continuous–Time Dynamic Systems
PublicationThe problem of on-line identification of non-stationary delay systems is considered. The dynamics of supervised industrial processes are usually modeled by ordinary differential equations. Discrete-time mechanizations of continuous-time process models are implemented with the use of dedicated finite-horizon integrating filters. Least-squares and instrumental variable procedures mechanized in recursive forms are applied for simultaneous...
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Comparison of different one-parameter damage laws and local stress-strain approaches in multiaxial fatigue life assessment of notched components
PublicationThis paper aims to compare the predictive capabilities of different one-parameter damage laws and local stress-strain approaches to assess the fatigue lifetime in notched components subjected to proportional bending-torsion loading. The tested fatigue damage parameters are defined using well-known stress-based, strain-based, SWT-based and energy-based relationships. Multiaxial cyclic plasticity at the notch-controlled process zone...
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Speciation of heavy metals in bottom sediments of a drinking water reservoir for Gdańsk, Poland – changes over the 14 years
PublicationThere was conducted a comparative study of the concentrations of heavy metals (Zn, Cu, Pb, andCd) in the surface layer of sediments collected in two investigation periods: 1999–2000 and 2013.The results demonstrated that the degree of metals pollution decreased over time. The contaminationfactors (Cf) calculated for Zn, Cu, Pb, and Cd were respectively 3.63, 3.86, 3.23, and 3.25 in thefirst period of...
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Structural insights, biocatalytic characteristics, and application prospects of lignin-modifying enzymes for sustainable biotechnology
PublicationLignin modifying enzymes (LMEs) have gained widespread recognition in depolymerization of lignin polymers by oxidative cleavage. LMEs are a robust class of biocatalysts that include lignin peroxidase (LiP), manganese peroxidase (MnP), versatile peroxidase (VP), laccase (LAC), and dye-decolorizing peroxidase (DyP). Members of the LMEs family act on phenolic, non-phenolic substrates and have been widely researched for valorization...
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Synchrotron radiation photoemission spectroscopy of the oxygen modified CrCl3 surface
PublicationWe investigate the experimentally challenging CrCl3 surface by photon energy dependent photoemission (PE). The core and valence electrons after cleavage of a single crystal, either in a ultrahigh vacuum (UHV) or in air, are studied by keeping the samples at 150 1C, aiming at confirming the atomic composition with respect to the expected bulk atomic structure. A common spectroscopic denominator revealed by data is the presence of...
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A study on the interaction of rhodamine B with methylthioadenosine phosphorylase protein sourced from an Antarctic soil metagenomic library.
PublicationThe presented study examines the phenomenon of the fluorescence under UV light excitation (312 nm) of E. coli cells expressing a novel metagenomic-derived putative methylthioadenosine phosphorylase gene, called rsfp, grown on LB agar supplemented with a fluorescent dye rhodamine B. For this purpose, an rsfp gene was cloned and expressed in an LMG194 E. coli strain using an arabinose promoter. The resulting RSFP protein was purified...
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Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tengcongensis solved ab initio
PublicationPriB is one of the components of the bacterial primosome, which catalyzes the reactivation of stalled replication forks at sites of DNA damage. The N-terminal domain of the PriB protein from the thermophilic bacterium Thermoanaerobacter tengcongensis (TtePriB) was expressed and its crystal structure was solved at the atomic resolution of 1.09 Å by direct methods. The protein chain, which encompasses the first 104 residues of the...
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C-1311 (Symadex), a potential anti-cancer drug, intercalates into DNA between A and G moieties. NMR-derived and MD-refined stereostructure of the d(GAGGCCTC) 2 :C-1311 complex
PublicationImidazoacridinone C-1311 (Symadex®) is an antitumor agent which has been recommended for Phase II clinical trials a few years ago. Previously, it was shown experimentally that during the initial stage of its action C-1311 forms stable intercalation complexes with DNA duplexes. Herein, a NMR-derived stereostructure of d(GAGGCCTC)2:C-1311 complex was reported. The ligand was found locating itself between A and G moieties, forming...
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Homoisocitrate dehydrogenase from Candida albicans: properties, inhibition, and targeting by an antifungal pro-drug
PublicationThe LYS12 gene from Candida albicans, coding for homoisocitrate dehydrogenase was cloned and expressed as a His-tagged protein in Escherichia coli. The purified gene product catalyzes the Mg2+- and K+-dependent oxidative decarboxylation of homoisocitrate to alpha-ketoadipate. The recombinant enzyme demonstrates strict specificity for homoisocitrate. SDS-PAGE of CaHIcDH revealed its molecular mass of 42.6±1 kDa, while in size-exclusion...
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Fabrication and Significant Photoelectrochemical Activity of Titania Nanotubes Modified with Thin Indium Tin Oxide Film
PublicationOrdered titanium dioxide nanotubes (TiO2NTs) modified with indium tin oxide (ITO) films were obtained via magnetron sputtering, in which ITO plate was used as a target, onto the as-anodized titania support followed by the calcination process. The morphology of fabricated material with deposited oxide was investigated using scanning electron microscopy. Raman and UV–Vis spectroscopies were utilized to characterize crystalline phase...
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Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-D-galactosidase from Arthrobacter sp. 32cB
PublicationArthbetaDG is a dimeric, cold-adapted beta-D-galactosidase that exhibits high hydrolytic and transglycosylation activity. A series of crystal structures of its wild form, as well as its ArthbetaDG_E441Q mutein complexes with ligands were obtained in order to describe the mode of its action. The ArthbetaDG_E441Q mutein is an inactive form of the enzyme designed to enable observation of enzyme interaction with its substrate. The...
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Photosensitive and pH-dependent activity of pyrazine-functionalized carbazole derivative as promising antifungal and imaging agent
PublicationCarbazole skeleton plays a significant role as a structural scaffold of many pharmacologically active compounds. Pyrazine-functionalized carbazole derivative was constructed by coupling 2-amino-5-bromo-3-methylaminepyrazine (ABMAP) into 3 and 6 positions of the carbazole ring. Multi-experimental methods were used, e.g., potentiometric, spectroscopic (ATR, UV, XRD powder,1H and13C NMR), electrochemical (cyclic voltammetry), and...
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Weldability of high strength steels in wet welding conditions
PublicationIn this paper are characterized problems of high strength steel weldability in underwater wet welding conditions. Water as a welding environment intensifies action of unfavourable factors which influence susceptibility to cold cracking of welded steel joints. The susceptibility to cold cracking of S355J2G3 steel and S500M steel in wet conditions was experimentally estimated (by using Tekken test). It was concluded that the steels...
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Optimization of Wireless Networks for Resilience to Adverse Weather Conditions
PublicationIn this chapter, we consider how adverse weather conditions such as rain or fog affect the performance of wireless networks, and how to optimize these networks so as to make them robust to these conditions. We first show how to analyze the weather conditions in order to make them useful for network optimization modelling. Using an example realistic network, we show how to optimize two types of wireless networks: free-space optical...
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A PROPOSAL OF A DESCRIPTION OF THE OPERATING CONDITIONS OF DIESEL-ELECTRIC LOCOMOTIVES
PublicationThe paper presents a proposal of a description of the operating conditions of diesel-electric locomotives. The proposal is a result of the operational experience and the analysis of the locomotive operation. It constitutes a significant simplification in relation to the descriptions currently used by domestic carriers. The paper also presents examples of analyses of the operating conditions of locomotives using the proposed method.