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Search results for: 2-D]FURAN-BENZO[B]NAPHTHO[1
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The ONETEP linear-scaling density functional theory program
PublicationWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Analysis of the unique structural and physicochemical properties of the DraD/AfaD invasin in the context of its belonging to the family of chaperone/usher type fimbrial subunits
PublicationInwazyna DraD kodowana przez operon dra posiada strukturę charakterystyczną dla białek podjednostkowych fimbrii typu chaperone-usher. Fold-Ig białka DraD posiada dwie charakterystyczne cechy wyróżniające je z pośród rodziny fimbrialnych białek podjednostkowych: 1) zaburzenie struktury beta-beczki w rejonie szczeliny akceptorowej objawiające się układem wiązań wodorowych głównego łańcucha polipeptydowego oraz 2) nietypowo usytuowany...
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Experiments and numerical analyses for composite RC-EPS slabs
PublicationW artykule przedstawiono wyniki doświadczalne i numeryczne dla kompozytowych płyt złożonych z żelbetu i styropianu. Wykonano doświadczenia dla płyt w skali 1:1 podczas zginania. Wyniki doświadczalne zostały modelowane stosując 2 różne modele: sprężysto-plastyczny i połączony sprężysto-plastyczny z degradacja sztywności. Oba model zostały wyposażone w długość charakterystyczna mikrostruktury. Osiągnięto dobra zgodność miedzy...
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Cylindrical orifice testing in laminar flow with the orifice diameter ratio β = 0.5
PublicationThe paper presents the results of an experimental study of a cylindrical orifice with the orifice diameter ratio β = 0.5 and the flow opening length‑to‑diameter ratio L/d = 1, with hydraulic oil flowing in the DN50 measuring channel. The measurements of the values characterising the oil flow were made in the laminar flow regime, for the Reynolds numbers ranging between Re = 100 to 950. Based on the experimental tests, standard...
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Experimental Study of the Resistance to Influence of Aggressive Liquids on Lightweight Concrete
PublicationIn light of the scientific research, the corrosion of concrete structures is one of the main problems that may reduce their durability due to the negative impact of the natural environment. The paper analyzes the influence of the type of component on the selected properties of lightweight concrete subjected to the influence of aggressive liquids. Four concrete mixes were prepared with a granular aggregate made of foamed glass (GEGA)...
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Enhanced hydrogen evolution reaction on highly stable titania-supported PdO and Eu2O3 nanocomposites in a strong alkaline solution
PublicationIn this work, PdO/TiO2 and Eu2O3/TiO2 nanocomposites (NCs), were synthesized using a new facile, template-free and one-step solvothermal approach, and characterized by several instrumentation techniques. X-ray photoelectron spectroscopy (XPS) studies revealed the presence of oxidised form of the Pd and Eu nanoparticles within the nanocomposite materials (PdO and Eu2O3). The two catalysts exhibited remarkable activity for the HER...
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From phosphanylphosphaalkenes to coordination copper and silver polymers containing P–P bonds
PublicationThis study was focused on the activation of the C[double bond, length as m-dash]P bond via reactions of Ph2C[double bond, length as m-dash]P-PtBu2 (1) with 1,6-hexanediol and selected dithiols (1,4-butanedithiol, 1,4-benzenedithiol and 1,4-benzenedimethanethiol). These reactions proceed according to a 1,2-addition mechanism, providing new compounds with formulas {(Ph)2(H)C-P-PtBu2}{μ2-(O-(CH2)6-O)}{tBu2P-P-C(H)(Ph)2} (2), {(Ph)2(H)C-P-PtBu2}{μ2-(S-(CH2)4-S)}{tBu2P-P-C(H)(Ph)2}...
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Surface Texture Analysis of Hardened Shafts after Ceramic Ball Burnishing
PublicationThis article represents the results of testing the surface condition of shafts manufactured by the burnishing process. The shafts with a hardness of approximately 62 HRC (Rockwell C). were burnished with a ceramic ball (Si3N4), where the force range was controlled by the means of a hydraulic system. The machining process consisted of hard turning shafts with cubic boron nitride (CBN) inserts, followed by burnishing with the use...
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Próba pomiaru rozwoju społecznego za pomocą wskaźników ''non - income''
PublicationArtykuł analizuje dotychczasowe próby pomiaru rozwoju społecznego. Przedstawione są w nim najczęściej spotykane indeksy rozwoju społecznego takie jak: PQLI, ISP, WISP oraz najnowsze - opracowane przez ONZ - HDI, HPI-1, HPI-2, GDI, GEM.
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Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides
PublicationThe crystallographic, electronic transport and thermal properties of Ca2PdGe3 and Ca2PtGe3 are reported. The compounds crystalize in an ordered variant of the AlB2 crystal structure, in space group P6/mmm, with the lattice parameters a = 8.4876(4) Å/8.4503(5) Å and c = 4.1911(3) Å/4.2302(3) Å for Ca2PdGe3 and Ca2PtGe3, respectively. The resistivity data exhibit metallic behavior with residual-resistivity-ratios (RRR) of 13 for...
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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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Stock price reactions to an arrangement approval in restructuring proceedings – the case of Poland
PublicationThe study aims to empirically analyze the reaction of stock prices to the information about the conclusion and acceptance of a debtor–creditor arrangement under restructuring proceedings of companies listed on the stock exchange in Poland. The following main research hypothesis was verified: public disclosure of information about an arrangement conclusion and acceptance in restructuring proceedings...
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Observation of a new boson at a mass of 125 GeV with the CMS experiment at the LHC
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A New Boson with a Mass of 125 GeV Observed with the CMS Experiment at the Large Hadron Collider
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Struktura triacylogliceroli olejów z nasion truskawki, maliny i czarnej porzeczki
PublicationPrzedmiotem badań było określenie struktury triacylogliceroli (TAG) olejów z nasion maliny, truskawki i czarnej porzeczki. W TAG badanych olejów pozycje zewnętrzne sn-1 i sn-3 zajmują głównie kwasy nasycone palmitynowy C16:0 i stearynowy C18:0 oraz kwas C18:1 (n-7). Przeważająca ilość kwasu linolowego C18:2 (n-6)występującego w badanych olejach zajmuje pozycje wewnętrzną sn-2. Udział procentowy pozostałych KT w pozycjach sn-1,3...
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α-Pinene, 3-carene and d-limonene in indoor air of Polish apartments: The impact on air quality and human exposure
PublicationMonoterpenes are among most ubiquitous volatile organic compounds (VOCs) to be detected in indoor air. Since the quality of indoor air is considered important for inhabitants' well-being, the present study aimed at investigating impact of human activity on levels of selected monoterpenes applying passive sampling technique followed by thermal desorption and gas chromatography coupled mass spectrometry. One of the objectives of...
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Conceptual design report of the MPD Cosmic Ray Detector (MCORD)
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Packing [1,Delta]-factors in graphs of small degree
PublicationRozważano problem znalezienia w grafie zadanej liczby k krawędziowo rozłącznych [1,Delta]-faktorów, gdzie Delta oznacza stopień grafu. Problem ten można rozwiązać w czasie liniowym dla k=2, jest on jednak NP-trudny dla każdego k>=3. Pokazano, że wariant minimalizacjny problemu dla k=2 jest NP-trudny dla grafów planarnych podkubicznych, jednak w ogólności istnieje algorytm (42 Delta - 30) / (35 Delta - 21) - aproksymacyjny.
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Reconfiguring Minimum Dominating Sets in Trees
PublicationWe provide tight bounds on the diameter of γ-graphs, which are reconfiguration graphs of the minimum dominating sets of a graph G. In particular, we prove that for any tree T of order n ≥ 3, the diameter of its γ-graph is at most n/2 in the single vertex replacement adjacency model, whereas in the slide adjacency model, it is at most 2(n − 1)/3. Our proof is constructive, leading to a simple linear-time algorithm for determining...
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Degradation of Rhodamine dyes by Advanced Oxidation Processes (AOPs) – Focus on cavitation and photocatalysis - A critical review
PublicationThis review evaluates selected advanced oxidation processes (AOPs) - cavitation and photocatalysis - successfully used for wastewater treatment towards degradation of Rhodamine (Rh) dyes. Reactor configuration and impact of process parameters and oxidants addition (hydrogen peroxide, ozone, persulfates) on degradation effectiveness along with degradation mechanisms are discussed. Best technologies provide 100% degradation within...
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Oddziaływania taboru na mosty kolejowe przy zmiennych parametrach ruchu
PublicationW pracy poruszono zagadnienia związane z identyfikacją oraz modelowaniem układu dynamicznego most-pojazd ruchomy. Za element szczególnie istotny uznano czynnik obciążający. Opracowano i wdrożono metodykę identyfikacji cech dynamicznych rzeczywistego pojazdu szynowego. Eksperyment badawczy przeprowadzono dla jednostki trakcyjnej EN57, jednak nie ma żadnych ograniczeń w stosowaniu metody dla innego, konwencjonalnego taboru szynowego....
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Ampacity of power cables exposed to solar radiation – recommendations of standards vs. CFD simulations
PublicationThe aim of the paper is to evaluate the ampacity of a low-voltage single power cable according to: 1) recommendations of the standard IEC 60287, 2) a Computational Fluid Dynamics method, implemented in Ansys software; and comparison of the results obtained for these two cases. Moreover, limitations of recommendations of the above mentioned standard are indicated.
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On Tradeoffs Between Width- and Fill-like Graph Parameters
PublicationIn this work we consider two two-criteria optimization problems: given an input graph, the goal is to find its interval (or chordal) supergraph that minimizes the number of edges and its clique number simultaneously. For the interval supergraph, the problem can be restated as simultaneous minimization of the path width pw(G) and the profile p(G) of the input graph G. We prove that for an arbitrary graph G and an integer t ∈ {1,...
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The Reactivity of Phosphanylphosphinidene Complexes of Transition Metals Toward Terminal Dihaloalkanes
PublicationThe reactivities of phosphanylphosphinidene complexes [(DippN)2W(Cl)(η2-P−PtBu2)]− (1), [(pTol3P)2Pt(η2- P=PtBu2)] (2), and [(dppe)Pt(η2-P=PtBu2)] (3) toward dihaloalkanes and methyl iodide were investigated. The reactions of the anionic tungsten complex (1) with stochiometric Br(CH2)nBr (n = 3, 4, 6) led to the formation of neutral complexes with a tBu2PP(CH2)3Br ligand or neutral dinuclear complexes with unusual tetradentate...
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Tensile and flexural moduli for human orbital wall bones – comparative study
PublicationThe main aims of the current research were: (1) to analyze in detail the tensile modulus and ultimate tensile strength (UTS) of orbital wall bones separately for the left and right orbit of the same cadaver and (2) to compare the obtained results with a flexural modulus of the left and right orbit reported earlier by A. C. van Leeuwen et al. [14]. A set of 54 specimens of orbital superior and/or medial walls harvested from 16 human...
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Spectroscopic and photophysical properties of ZNTPP in a room temperature ionic liquid
PublicationThe steady-state absorption and emission spectra and the time-resolved Soret- and Q-band excited fluorescence profiles of the model metalloporphyrin, ZnTPP, have been measured in a highly purified sample of the common room temperature ionic liquid, [bmim][PF(6)]. S(2)-S(0) emission resulting from Soret-band excitation behaves in a manner completely consistent with that of molecular solvents of the same polarizability. The ionic...
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Influence of hydrochloric acid concentration and type of nitrogen source on the electrochemical performance of TiO2/N-MoS2 for energy storage applications
PublicationIn this work, nitrogen-doped molybdenum sulfide was directly deposited on titanium dioxide nanotubes substrate (TiO2/N-MoS2) during hydrothermal synthesis. The study focuses on the influence of hydrochloric acid concentration used for the synthesis, with the results indicating its essential role in thioacetamide hydrolysis and thus in the effectiveness of the N-MoS2 deposition. The electrode material itself is characterized by...
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Environmental characteristics of a tundra river system in Svalbard. Part 1: Bacterial abundance, community structure and nutrient levels
PublicationThe Arctic hosts a set of unique ecosystems, characterised by extreme environmental conditions and undergoing a rapid change resulting from the average temperature rising. We present a study on an aquatic ecosystem of the Revelva catchment (Spitsbergen), based on samples collected from the lake, river and their tributaries, in the summer of 2016. The landscape variety of the study site and the seasonal change in the hydrological...
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Activation of the C=P bond in phosphanylphosphaalkenes C=P–P bond system) in the reaction with nucleophilic reagents: MeLi, nBuLi and tBuLi
PublicationThree reactions of phosphanylphosphaalkene (1) with nucleophiles were performed to activate the diphosphorus monomer. We observed similar results in the reactions with MeLi and nBuLi, in which the P–P bond is cleavaged and triphosphorus systems [P(Me)2–CH(biph)–CH(biph)–P–(PtBu 2)]- (1a'') and [P(nBu)2–CH(biph)–CH(biph)–P–(PtBu 2)]- (1b''), respectively, are formed depending on the nucleophilic reagent (biph ¼ biphenyl). In the...
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Global 30-day outcomes after bariatric surgery during the COVID-19 pandemic (GENEVA): an international cohort study
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New national and regional bryophyte records, 45
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Vision-based parking lot occupancy evaluation system using 2D separable discrete wavelet transform
PublicationA simple system for rough estimation of the occupancy of an ad-hoc organized parking lot is presented. A reasonably simple microprocessor hardware with a low resolution monochrome video camera observing the parking lot from the location high above the parking surface is capable of running the proposed 2-D separable discrete wavelet transform (DWT)-based algorithm, reporting the percentage of the observed parking area occupied by...
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Problemy komunikacji międzykulturowej w warunkach konkurencji na rynku globalnym
PublicationCelem referatu jest identyfikacja barier komunikacji międzykulturowej. Praca składa się z 3 części:1. Istota i znaczenie komunikacji międzykulturowej w warunkach konkurowania na rynku międzynarodowym 2. Bariery komunikacji międzykulturowej 3. Problemy komunikacji międzykulturowej werbalnej i niewerbalnej.
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Właściwości funkcjonału celu D-optymalnego schematu próbkowania dla modeli kompartmentowych.
PublicationStworzony został program pozwalający na wizualizację rozkładu funkcji celu dla 1-kompartmentowych, 2-kompartmentowych i 3-kompartmentowych modeli, których odpowiedź ma postać sumy eksponent. W pracy przedstawiono przykładowe rozkłady funkcji celu i algorytm poszukiwania jej ekstremów.
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Ferromagnetism in Pr-rich binary Pr7Ru3 intermetallic compound
PublicationWe present the synthesis and experimental characterization of the binary intermetallic compound Pr7Ru3. The polycrystalline sample was prepared by arc melting pure Pr and Ru, followed by homogenization at 500 °C and 600 °C for 48 and 89 h, respectively. Powder x-ray diffraction confirms that Pr7Ru3 crystallizes in an orthorhombic crystal structure (Pnma, space group no. 62) with the lattice parameters: a = 7.3606(7) Å, b = 23.120(1)...
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Wpływ stanu zachowania materiału konstrukcyjnego na nośność zabytkowych drewnianych słupów, w żuławskich domach podcieniowych, z XVIII i XIX wieku.
PublicationPowstało wiele opracowań dotyczących zagadnień architektonicznych domów podcieniowych na Żuławach, ale brak na ten temat publikacji dotyczących problematyki techniczno-konserwatorskiej. Niniejszy artykuł jest fragmentem badań prowadzonych obecnie przez autora. Jest pierwszą próbą wykonania analizy statyczno- wytrzymałościowej wybranych, zabytkowych drewnianych podcieni z obszaru Delty Wisły, wraz z opisem stanu zachowania. W tekście...
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A Comparability of Renal Length and Volume Measurements in MRI and Ultrasound in Children
PublicationIntroduction: Despite the significant increase in use of magnetic resonance imaging (MRI) in children, there is still a lack of normal reference values of renal size in this method and reference values are being interpolated from the ultrasound (US) studies. The study provides comparative analysis of agreement in renal length and volume measurements between MRI and ultrasound. Materials and Methods: Ninety-three children with a...
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Ion recognition properties of new pyridine-2,6-dicarboxamide bearing propeller-like pendant residues: multi-spectroscopic approach
PublicationThe synthesis and ion binding properties of new amide derived from propeller-like tris(2-pyridyl)amine and 2,6-pyridinedicarboxylic acid chloride were described. Amide binds divalent metal cations: copper(II), nickel(II), zinc(II), and lead(II) in acetonitrile. In acetonitrile:water mixture (9:1 v/v) amide interacts only with copper(II) and nickel(II) cations forming complexes of 1:1 stoichiometry. It was found that the introduction...
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Determination of Sodium Ion Diffusion Coefficient in Tin Sulfide@Carbon Anode Material Using GITT and EIS Techniques
PublicationThe electroanalytical behavior of SnSx (x = 1, 2) encapsulated into a carbon phase was studied using the galvanostatic intermittent titration technique (GITT) and electrochemical impedance spectroscopy (EIS). These techniques are widely utilized in battery systems to investigate the diffusion of alkali metal cations in anode and cathode materials depending on the concentration of ions in the host material. Here, we report different...
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Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
PublicationThe genome feature of SARS-CoV-2 leads the virus to mutate and creates new variants of concern. Tackling viral mutations is also an important challenge for the development of a new vaccine. Accordingly, in the present study, we undertook to identify B- and T-cell epitopes with immunogenic potential for eliciting responses to SARS-CoV-2, using computational approaches and its tailoring to coronavirus variants. A total of 47 novel...
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Ruthenium(II) and Iridium(III) Complexes as Tested Materials for New Anticancer Agents
PublicationThe oncological use of cisplatin is hindered by its severe side eects and a very important resistance problem. To overcome these problems, scientists have attempted to design new generation transition-metal anticancer complexes. In this study, we present new complexes, ruthenium(II) [(6-p-cymene)RuCl(py2CO)]PF6 (1), iridium(III) [(5-Cp)IrCl(py2CO)]PF6 (2), and NH4[IrCl4(py2CO)]H2O (3), based on di-2-pyridylketone (py2CO). The prepared...
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Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach
PublicationCrystal structures of (H2m4na)NO3 (1), (H2m4na)HSO4 (2), (H2m4na)2SiF6 (3) and (H2m4na)2SiF6*2H2O (4), where 2m4na = 2-methyl-4-nitroaniline, are presented. Two layers of interactions occur in the structures, N—H...O/F hydrogen bonds and interactions with the nitro group. Although diverse, hydrogen-bonding patterns are compared with each other by means of interrelations among elementary graph-set descriptors and descriptors of hydrogen-bonding...
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Prognozowanie na podstawie modeli multiplikatywnych - względne błędy prognoz
Publicationw artykule:1. sformułowano załozenia stochastyczne dla modelu multiplikatywnego wykorzystywanego dla celów prognostycznych,2. zdefiniowano względne i absolutne przedziały ufności prognoz dokonywanych na podstawie modeli multiplikatywnych,3. przedstawiono metodę estymacji względnego błędu predykcji dla predyktora modelu multiplikatywnego.
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2D inverse method of turbomachinery stage design
Publication1. How 2D model for turbomachinery stages has developed historically. 2. Recent understanding of physical background of 2D model. 3. Curvilinear system of non-orthogonal coordinates in the application to 2D model. 4. Set of basic equations. 5. Closing conditions for the inverse problem. 6. Examples of solutions a)
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The Influence of Selecting Regions from Endoscopic Video Frames on The Efficiency of Large Bowel Disease Recognition Algorithms
PublicationThe article presents our research in the field of the automatic diagnosis of large intestine diseases on endoscopic video. It focuses on the methods of selecting regions of interest from endoscopic video frames for further analysis by specialized disease recognition algorithms. Four methods of selecting regions of interest have been discussed: a. trivial, b. with the deletion of characteristic, endoscope specific additions to the...
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Application of acoustic emission metod for measurement of joint gap and cartilage surfaces
PublicationW artykule przedstawiono zastosowanie emisji akustycznej do lokalizacji wczesnych uszkodzeń stawu biodrowego lub kolanowego człowieka. Ponadto metoda ta służy do pomiaru wysokości szczeliny stawu oraz struktury geometrycznej powierzchni chrząstki stawowej. Jest to metoda nieinwazyjna. Pomiary metodą emisji akustycznej stosujemy na ogół w materiałach, w których energia sprężysta zmienia się nagle. Takie zmiany energii mogą być...
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Mind the Gender Wage Gap – the Impact of Trade and Competition on Sectoral Wage Difference
PublicationThis article examines differences between women’s and men’s wages in 18 selected OECD countries in the period 1970-2005. The study is based on 12 manufacturing sector- and skill-specific sets of panel data on the gender wage gap. We apply a system GMM estimator to the extended version of the conditional gender wage gap convergence equation, controlling for sector concentration and industry-specific measures of openness using a...
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Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] towards selected ketones
PublicationIn this work, we report a new type of reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] (1) towards ketones (BDI* = 2,6-diisopropylphenyl-β-methyldiketiminate ligand). In the reaction of 1 with acetone, cyclopentanone or cyclohexanone, a ketone moiety is inserted into Ti–Pphosphanyl or Ti–Pphosphido bonds to form complexes with a new C–P–P moiety, providing [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2-C(Me)2O}] (2a), [(BDI*)Ti(Cl){η2-OC(Me)2P(SiMe3)-PiPr2}]...
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Preparation and photocatalytic activity of B-doped titanium dioxide
PublicationOtrzymano TiO2 domieszkowany borem, aktywny w reakcjach fotodegradacji pod wpływem światła widzialnego (λ>400 nm). Fotokatalizatory otrzymano poprzez hydrolizę tytanianu(IV) izopropylu w obecności związków boru lub poprzez ucieranie ST-01 z prekursorami B i następnie kalcynację w temperaturze 450stC. Jako źródło boru zastosowano kwas borowy (0,5 i 10%wag.) lub trietylo ester kwasu borowego (0,5; 1; 5 i 10%wag.). Najwyższą aktywność...
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Properties of sensorless control systems based on multiscalar models of the induction motors
PublicationCelem artykułu jest opracowanie ogólnych postaci multiskalarnych modeli silnika indukcyjnego i zaprezentowanie właściwości bezczujnikowych układów regulacji opartych na takich modelach. Poprzednio prezentowane modele multiskalarne silnika indukcyjnego oparte na wykorzystaniu wektorów prądu stojana i strumienia wirnika zostły uogólnione jako model typu 1. Nowy model typu 2 zdefiniowany został dla wektora prądu stojana i innego wektora...