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Search results for: KRYSTALOGRAFIA X-RAY
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Cyclic behavior of FeCoCrNiMn high entropy alloy coatings produced through cold spray
PublicationeCoCrNiMn high entropy alloy powders were employed to produce coatings on carbon steel through high pressure cold spray (at 1100 °C and 7 MPa in temperature and pressure respectively). X-ray diffraction of the sprayed material revealed a dense coating with the retention of the original crystallographic structure. Once splatted, particles revealed high flattening ratio with consequent excellent adhesion of the coating to the substrate....
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Interplay between Aryl···Perfluoroaryl and Hydrogen Bonding Interactions in Cocrystals of Pentafluorophenol with Molecules of Trigonal Symmetry
PublicationCocrystals of seven star-shaped triaryl compounds with pentafluorophenol (pfp) were prepared and structurally characterized by the single-crystal X-ray diffraction method. Cocrystallization of pfp with planar (or almost planar) compounds gave six 3:1 molecular complexes with well-defined layered structures. The layers are composed of alternating pfp3 trimers, linked by hydrogen bonding, and triaryl molecules held together in planes...
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Thermal, electrical, and magnetic properties of Fe2O3–PbO–SiO2 glass prepared by traditional melt-quenching and twin roller fast-cooling methods
PublicationIn this study, Fe–Pb–Si oxide glasses containing between 12.5 and 17.5 mol% Fe2O3 were prepared using two different methods comprising traditional melt-quenching and twin roller fast-cooling techniques. The topography and structure of the materials obtained were characterized by X-ray powder diffraction and scanning electron microscopy. All of the materials were found to be amorphous. The topography of most of the glasses comprised...
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Discrete element method simulations of fracture in concrete under uniaxial compression based on its real internal structure
PublicationThe paper describes experimental and numerical results of concrete fracture under quasi-static uniaxial compression. Experimental uniaxial compression tests were performed on concrete cubic specimens. Fracture in concrete was detected at the aggregate level by means of three non-destructive methods: three-dimensional X-ray microcomputed tomography, two-dimensional scanning electron microscope and manual two-dimensional digital...
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Weakly convex and convex domination numbers of some products of graphs
PublicationIf $G=(V,E)$ is a simple connected graph and $a,b\in V$, then a shortest $(a-b)$ path is called a $(u-v)$-{\it geodesic}. A set $X\subseteq V$ is called {\it weakly convex} in $G$ if for every two vertices $a,b\in X$ exists $(a-b)$- geodesic whose all vertices belong to $X$. A set $X$ is {\it convex} in $G$ if for every $a,b\in X$ all vertices from every $(a-b)$-geodesic belong to $X$. The {\it weakly convex domination number}...
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Indole-Acrylonitrile Derivatives as Potential Antitumor and Antimicrobial Agents—Synthesis, In Vitro and In Silico Studies
PublicationA series of 2-(1H-indol-2-yl)-3-acrylonitrile derivatives, 2a–x, 3, 4a–b, 5a–d, 6a–b, and 7, were synthesized as potential antitumor and antimicrobial agents. The structures of the prepared compounds were evaluated based on elemental analysis, IR, 1H- and 13NMR, as well as MS spectra. X-ray crystal analysis of the representative 2-(1H-indol-2-yl)-3-acrylonitrile 2l showed that the acrylonitrile double bond was Z-configured. All...
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Mechanism of a Four-Phase Liquid Membrane Oscillator Containing Hexadecyltrimethylammonium Bromide
PublicationBadano zachowanie nitrometanowego oscylatora z membraną ciekłą zawierającego kationowy surfaktant. Początkowo układ składał się z trzech faz: wodnej donorowej zawierającej surfaktant i etanol, membrany ciekłej (kwas pikrynowy w nitrometanie) oraz fazy wodnej akceptorowej zawierającej sacharozę. Podczas procesu oscylacyjnego wytwarzała się nowa fazą X między membraną ciekłą, a fazą akceptorową. Stwierdzono oscylacje różnicy potencjału...
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Superconductivity and ferromagnetism in Pd doped Y9Co7
PublicationThe ferromagnetic superconductor Y9Co7 was chemically doped to yield the solid solution Y9Co7-xPdx for 0 < x < 0.4. The lattice parameter a does not depend on x, whereas c increases with increasing Pd content up to x ¼ 0.2, the palladium solubility limit. The transition from ferromagnetism (TC ¼ 4.25 K) to superconductivity (Tsc ¼ 2.4 K) was observed only for the parent Y9Co7 compound. For the lowest tested Pd doping level (x ¼...
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Weakly convex domination subdivision number of a graph
PublicationA set X is weakly convex in G if for any two vertices a; b \in X there exists an ab–geodesic such that all of its vertices belong to X. A set X \subset V is a weakly convex dominating set if X is weakly convex and dominating. The weakly convex domination number \gamma_wcon(G) of a graph G equals the minimum cardinality of a weakly convex dominating set in G. The weakly convex domination subdivision number sd_wcon (G) is the minimum...
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Cobalt(II) tri-tert-butoxysialanethiolates.Synthesis, properties, crystal and molecular structures of [Co{SSi(OtBu)3}2(L)] and[Co{SSi(OtBu)3}2(L)2] type complexes with monodentate nitrogen ligands.
PublicationThe title heteroleptic neutral cobalt(II) tri-tert-butoxysilanethiolate complexes with monodentate nitrogen bases (L) as additional ligands have been prepared by the reactions of [Co{μ-SSi(OtBu)3}{SSi(OtBu)3}(NH3)]2 (1) with respective bases. For pyridine both types have been prepared...
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Spectacular Oxygen Evolution Reaction Enhancement through Laser Processing of the Nickel‐Decorated Titania Nanotubes
PublicationThe selective, laser‐induced modification of the nickel‐decorated titania nanotubes provides remarkable enhancement toward oxygen evolution reaction. Particularly, the irradiation of the laterally spaced crystalline TiO2 nanotubes, results in the formation of the tight closure over irradiated end, preserving their hollow interior. The shape of the absorbance spectra is modulated along with applied energy, and the new absorption...
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Effect of Functionalization of Reduced Graphene Oxide Coatings with Nitrogen and Sulfur Groups on Their Anti-Corrosion Properties
PublicationElectrophoretic production of anticorrosion carbonaceous coatings on copper could be successfully performed by anodic oxidation of negatively charged graphene platelets suspended in an aqueous solution. The various platelets were synthesized by Hummer’s method followed by a hydrothermal reduction in the presence of NH4SCN which was expected to substitute some parts of graphene structure with nitrogen and sulfur groups. X-ray photoelectron...
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Properties of Nanohydroxyapatite Coatings Doped with Nanocopper, Obtained by Electrophoretic Deposition on Ti13Zr13Nb Alloy
PublicationNowadays, hydroxyapatite coatings are the most common surface modification of long-term implants. These coatings are characterized by high thickness and poor adhesion to the metallic substrate. The present research is aimed at characterizing the properties of nanohydroxyapatite (nanoHAp) with the addition of copper nanoparticle (nanoCu) coatings deposited on the Ti13Zr13Nb alloy by an electrophoresis process. The deposition of...
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Hydrogen Embrittlement and Oxide Layer E ect in the Cathodically Charged Zircaloy-2
PublicationThe present paper is aimed at determining the less investigated effects of hydrogen uptake on the microstructure and the mechanical behavior of the oxidized Zircaloy-2 alloy. The specimens were oxidized and charged with hydrogen. The different oxidation temperatures and cathodic current densities were applied. The scanning electron microscopy, X-ray electron diffraction spectroscopy, hydrogen absorption assessment, tensile, and...
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Correlation between partial inhibition of hydrogen evolution using thiourea and catalytic activity of AB5-type hydrogen storage alloy towards borohydride electrooxidation
PublicationDirect borohydride fuel cells (DBFCs) are devices which directly convert the chemical energy stored in the borohydride ion and oxidant into electrical energy as a result of redox reactions. Unfortunately, a significant amount of fuel is lost as a result of the undesirable hydrolysis reaction. The selection of an efficient borohydride hydrolysis inhibitor requires detailed knowledge regarding the interaction mechanism between the...
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Copper and copper-manganese 1D coordination polymers: Synthesis optimization, crystal structure and preliminary studies as catalysts for Baylis–Hillman reactions
PublicationThis work reports the influence of experimental parameters (pH and counter-ion) in the synthesis of the 1D coordination polymer [Cu(IDA)(H2O)2]n (IDA = iminodiacetate), named here Cu-IDA. Copper-manganese bimetallic coordination polymers were also obtained by isomorphic replacement into Cu-IDA structure, with different molar ratio of Cu2+ and Mn2+ ions, denoted here as Cu/Mn-IDA (0.9/0.1; 0.7/0.3 and 0.5/0.5). New coordination...
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Silica Gel Impregnated by Deep Eutectic Solvents for Adsorptive Removal of BTEX from Gas Streams
PublicationThe paper presents the preparation of new adsorbents based on silica gel (SiO2) impregnated with deep eutectic solvents (DESs) to increase benzene, toluene, ethylbenzene, and p-xylene (BTEX) adsorption efficiency from gas streams. The DESs were synthesized by means of choline chloride, tetrapropylammonium bromide, levulinic acid, lactic acid, and phenol. The physico-chemical properties of new sorbent materials, including surface...
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In Vitro Biological Characterization of Silver-Doped Anodic Oxide Coating on Titanium
PublicationDespite the high biocompatibility and clinical effectiveness of Ti-based implants, surface functionalization (with complex osteointegrative/antibacterial strategies) is still required. To enhance the dental implant surface and to provide additional osteoinductive and antibacterial properties, plasma electrolytic oxidation of a pure Ti was performed using a nitrilotriacetic acid (NTA)-based Ag nanoparticles (AgNP)-loaded calcium–phosphate...
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Mechanical Behavior of Bi-Layer and Dispersion Coatings Composed of Several Nanostructures on Ti13Nb13Zr Alloy
PublicationTitanium implants are commonly used because of several advantages, but their surface modification is necessary to enhance bioactivity. Recently, their surface coatings were developed to induce local antibacterial properties. The aim of this research was to investigate and compare me-chanical properties of three coatings: multi-wall carbon nanotubes (MWCNTs), bi-layer composed of an inner MWCNTs layer and an outer TiO2 layer, and...
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Effect of selective laser treatment on initiation of fatigue crack in the main part of an undercarriage drag strut
PublicationThis paper presents the results of material characterization and a fatigue test conducted for a laser-re-melted drag strut used in an aircraft landing gear. The drag strut was re-melted with a CO2 laser beam. Eight re-melted paths were made in the form of spiral lines along the axis of the drag strut. Next, the drag strut was subjected to variable loads on a testing machine simulating loads occurring when an aircraft lands. The...
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Cost-effective methods of fabricating thin rare-earth element layers on SOC interconnects based on low-chromium ferritic stainless steel and exposed to air, humidified air or humidified hydrogen atmospheres
PublicationMost oxidation studies involving interconnects are conducted in air under isothermal conditions, but during real-life solid oxide cell (SOC) operation, cells are also exposed a mixture of hydrogen and water vapor. For this study, an Fe–16Cr low-chromium ferritic stainless steel was coated with different reactive element oxides – Gd2O3, CeO2, Ce0.9Y0.1O2 – using an array of methods: dip coating, electrodeposition and spray pyrolysis....
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Investigation of the Few‐Layer Black Phosphorus Degradation by the Photonic Measurements
PublicationFew-layer black phosphorus (FLBP) is a 2D material that gains worldwide interest for its possible applications, mainly in electronics and optoelec-tronics. However, as FLBP is prone to a degradation process under envi-ronmental conditions, there is a need for a monitoring method allowing investigation of its surface quality. Among many techniques, optoelectronic ones have unique advantages of fast response, non-contact, and non-invasive...
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Application of twin-plane ECT sensor for identification of the internal imperfections inside concrete beams
PublicationThe main purpose of this paper is to investigate application of special construction of Electrical Capacitance Tomography (ECT) sensor to concrete beams internal homogeneity tests. Identification of internal imperfection inside the concrete beams is one of the main problems related to analysis of the construction structure bearing capacity. Therefore, this paper shows attempts to study the measurement prospects for this non-invasive,...
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Is the Solid Electrolyte Interphase an Extra-Charge Reservoir in Li-Ion Batteries?
PublicationAdvanced metal oxide electrodes in Li-ion batteries usually show reversible capacities exceeding the theoretically expected ones. Despite many studies and tentative interpretations, the origin of this extra-capacity is not assessed yet. Lithium storage can be increased through different chemical processes developing in the electrodes during charging cycles. The solid electrolyte interface (SEI), formed already during the first...
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Dielectric properties of modified graphene oxide filled polyurethane nanocomposites and its correlation with rheology
PublicationThis study aims at investigating the dynamic mechanical, dielectric and rheological properties of reinforced polyurethane (PU) nanocomposites containing hydrophilic graphene oxide (GO) and/or hydrophobic modified graphene oxide (mGO) sheets. The organic modification of GO was performed with 4,4′-methylenebis (phenyl isocyanate) (MDI) and the samples were prepared by solvent mixing. We found that addition of mGO provides a more...
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Reactivity of Phosphanylphosphinidene Complex of Tungsten(VI) toward Phosphines: A New Method of Synthesis of catena-Polyphosphorus Ligands
PublicationThe reactivity of an anionic phosphanylphosphinidene complex of tungsten(VI), [(2,6-i-Pr2C6H3N)2(Cl)- W(η2-t-Bu2P=P)]Li·3DME toward PMe3, halogenophosphines, and iodine was investigated. Reaction of the starting complex with Me3P led to formation of a new neutral phosphanylphosphinidene complex, [( 2,6-i-Pr2C6H3N)2(Me3P)W(η2-t-Bu2P=P)]. Reactions with halogenophosphines yielded new catena-phosphorus complexes. From reaction with...
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Deposition and characterization of organic polymer thin films using a dielectric barrier discharge with different C2Hm/N2 (m = 2, 4, 6) gas mixtures
PublicationOrganic polymer thin films have been deposited on Si(100) and aluminum coated glass substrates by a dielectric barrier discharge (DBD) operated at medium pressure using different C2Hm/N2 (m = 2, 4, 6) gas mixtures. The deposited films were characterized by various spectroscopic techniques. Fourier transform infrared reflection absorption spectroscopy (FT-IRRAS) revealed the chemical functional groups present in the films. The surface...
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Effect of nitrogen doping on TiOxNy thin film formation at reactive high-power pulsed magnetron sputtering
PublicationThe paper is focused on a study of formation of TiOxNy thin films prepared by pulsed magnetron sputtering of metallic Ti target. Oxygen and nitrogen were delivered into the discharge in the form of reactive gases O2 and N2. The films were deposited by high-power impulse magnetron sputtering working with discharge repetition frequency f = 250 Hz at low (p = 0.75 Pa) and high (p = 10 Pa) pressure. The substrates were on floating...
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Novel Functionalization of Boron-Doped Diamond by Microwave Pulsed-Plasma Polymerized Allylamine Film
PublicationWe report the novel modification of a hydrogen-terminated polycrystalline boron-doped electrode with a microwave pulsed-plasma polymerized allylamine. Boron-doped diamond (BDD) was coated with a very thin layer of adherent cross-linked, pinhole- and additive-free allylamine plasma polymer (PPAAm) resistant to hydrolysis and delamination and characterized by a high density of positively charged amino groups. The pulsed microwave...
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Electrochemical synthesis and characterization of nanocomposites based on poly(3,4-ethylenedioxythiophene) and functionalized carbon nanotubes
PublicationThis work is focused on new composite materials consisting of poly(3,4-ethylenedioxythiophene) (pEDOT) and functionalized multi-walled carbon nanotubes synthesized electrochemically. Three types of composites were synthesized: the first one containing carbon nanotubes with carboxyl groups (covalent functionalization), the second one containing oxidized carbon nanotubes ox-MWCNTs (with different oxygen-rich polar groups) (covalent...
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Study on surface termination of boron-doped diamond electrodes under anodic polarization in H2SO4 by means of dynamic impedance technique
PublicationAnodic oxidation is a popular way to modify termination bonds at boron doped diamond electrodes altering their electrochemical and physicochemical properties. Our studies, performed with dynamic electrochemical impedance spectroscopy technique, supported with X-ray photoelectron spectroscopy and ellipsometry analysis prove its utility in continuous on-line monitoring of impedance changes on the electrode surface under polarization...
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Functionalization of Parylene During Its Chemical Vapor Deposition
PublicationTwo possible mechanisms for the reaction of four halogenated (metha)acrylate-based molecules with Parylene [poly (paraxylylene)] during its chemical vapor deposition were proposed. The chemical reactivity of acrylate double bond with the paraxylylene biradical was calculated for all four (metha)acrylate-based molecules. These calculations allowed the evaluation of the energetically favorable mechanism and indeed a direct correlation...
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Experimental and Quantum Chemical Evaluation of 8-Hydroxyquinoline as a Corrosion Inhibitor for Copper in 0.1 M HCl
PublicationThe corrosion inhibition properties of 8-hydroxyquinoline (8-HQ) in 0.1 M HCl for copper have been investigated by using experimental (electrochemical impedance spectroscopy (EIS), dynamic electrochemical impedance spectroscopy (DEIS), and potentiodynamic polarization) and theoretical methods complemented by surface morphological examination with the aid of scanning electron microscopy (SEM) and electron dispersive X-ray spectroscopy...
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Analytical chemistry in technical approaches: immobilization of biosorbent waste containing heavy metals in cemented materials
PublicationAn ecologically safe and economically justified method of stabilization of the used biosorbents was developed. Sorbent contaminated with heavy metals has been successfully solidified/stabilized using a hydraulic binder. The test results indicated that up to 1% of the biosorbent residue used could be added without compromising the compressive strength of the mortar. The compressive strength of the modified mortars did not change...
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Fabrication and Study of BiNbO4 Ceramics
PublicationAim of the present research was to fabricate and study crystalline structure as well as dielectric properties of BiNbO4 ceramics. In the present study BiNbO4 ceramics was fabricated by solid state reaction from the mixture of simple oxides viz. Bi2O3, and Nb2O5. Stoichiometric mixture of the powders was thermally analyzed so parameters of the thermal treatment were determined. The EDS measurements proved conservation of the chemical...
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Effect of Hydroxypropylation and Beta-Amylase Treatment on Complexation of Debranched Starch With Naringenin
PublicationNaringenin exhibits many health benefits but it has limited water solubility and consequently low bioavailability. The objective of this study is to investigate the effect of hydroxypropylation and enzymatic treatments on starch complexation with naringenin. Potato starch and Hylon VII are hydroxypropylated to two substitution degrees and then debranched or debranched/β‐amylase treated prior to complexing with naringenin. Both...
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Spectacular Oxygen Evolution Reaction Enhancement Through Laser Processing of the Nickel-Decorated Titania Nanotubes
PublicationThe selective, laser-induced modification of the nickel-decorated titania nanotubes provides remarkable enhancement toward oxygen evolution reaction. Particularly, the irradiation of the laterally spaced crystalline TiO2 nanotubes, results in the formation of the tight closure over irradiated end, preserving their hollow interior. The shape of the absorbance spectra is modulated along with applied energy, and the new absorption...
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Non-destructive Testing of Wooden Elements
PublicationExamining the condition of wooden elements is crucial from the perspective of proper structure performance. If the deterioration in the internal wood condition, which displays no symptoms visible from the outside, is detected, the further spread of the deterioration can be prevented. Test results often point to the necessity of conducting repairs and, renovations, replacing the structure of wooden beams, or even substituting a...
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Properties of Old Concrete Built in the Former Leipziger Palace
PublicationThis research aims to determine the mechanical, chemical, and physical properties of old concrete used in the former Leipziger Palace in Wrocław, Poland. The cylindrical specimens were taken from the basement concrete walls using a concrete core borehole diamond drill machine. The determination of the durability and strength of old concrete was based on specified chosen properties of the old concrete obtained through the following...
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Design and Microwave-Assisted Synthesis of TiO2-Lanthanides Systems and Evaluation of Photocatalytic Activity under UV-LED Light Irradiation
PublicationThe TiO2-Eu and TiO2-La systems were successfully synthesized using the microwave method. Based on the results of X-ray diffraction analysis, it was found that regardless of the analyzed systems, two crystal structures were noted for the obtained samples: anatase and rutile. The analysis, such as XPS and EDS, proved that the doped lanthanum and europium nano-particles are present only on the TiO2 surface without disturbing the...
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Algorithms for testing security in graphs
PublicationIn this paper we propose new algorithmic methods giving with the high probability the correct answer to the decision problem of security in graphs. For a given graph G and a subset S of a vertex set of G we have to decide whether S is secure, i.e. every subset X of S fulfils the condition: |N[X] \cap S| >= |N[X] \ S|, where N[X] is a closed neighbourhood of X in graph G. We constructed a polynomial time property pseudotester based...
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Fault diagnosis of analog piecewise linear circuits based on homotopy
PublicationArtykuł opisuje weryfikację metodą diagnostyki analogowych układów odcinkowo-liniowych opartą na podejściu homotopijnym. Homotopia przekształca jedną funkcję f(x) w inną funkcję g(x) poprzez zmianę parametru homotopii tî[0,1]. Ścieżka homotopijna pokazuje drogę od punktu x0 z dziedziny funkcji f(x) do odpowiadającego mu punktu x* funkcji g(x). Idea metody zakłada wykorzystanie funkcji f(x) do opisu diagnozowanego układu w stanie...
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Heteroclinic solutions of Allen-Cahn type equations with a general elliptic operator
PublicationWe consider a generalization of the Allen-Cahn type equation in divergence form $-\rm{div}(\nabla G(\nabla u(x,y)))+F_u(x,y,u(x,y))=0$. This is more general than the usual Laplace operator. We prove the existence and regularity of heteroclinic solutions under standard ellipticity and $m$-growth conditions.
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Highly crystalline colloidal nickel oxide hole transport layer for low-temperature processable perovskite solar cell
PublicationHighly crystalline NiOX usually requires high annealing temperature (>300 °C) which is incompatible with flexible substrate and might consume high amount of energy. Herein, we demonstrate a facile emulsion process to synthesize highly crystalline, low temperature deposition (<150 °C) and solution processable NiOx nanoparticles (NPs) as a hole transport layer for the perovskite solar cells (PVSCs)....
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Regularity of weak solutions for aclass of elliptic PDEs in Orlicz-Sobolev spaces
PublicationWe consider the elliptic partial differential equation in the divergence form $$-\div(\nabla G(\nabla u(x))) t + F_u (x, u(x)) = 0,$$ where $G$ is a convex, anisotropic function satisfying certain growth and ellipticity conditions We prove that weak solutions in $W^{1,G}$ are in fact of class $W^{2,2}_{loc}\cap W^{1,\infty}_{loc}$.
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Higher-Order Spectra in Nanoparticle Gas Sensors.
PublicationPrzedstawiono wyniki badań rezystancji fluktuacji w rezystancyjnych sensorach gazu wykonanych z nanocząstek Pdx(WO3)1-x dla x=0.01 oraz x=0.12. Rozkład prawdopodobieństwa obserwowanych fluktuacji wskazywał na występowanie składowej o rozkładzie różnym od rozkładu normalnego. Do jego scharakteryzowania wykorzystano spektra wyższych rzędów oraz ich przekroje.
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Classification of submandibular salivary stones based on ultrastructural studies
PublicationIntroduction: Sialolithiasis remains a clinical problem with unclear etiopathogenesis, lack of prevention methods, and only surgical treatment. Materials and methods: An ultrastructure examination of submandibular sialoliths obtained from patients with chronic sialolithiasis was conducted using a scanning electron microscope and X‐ray photoelectron spectroscopy. Results: Based on the results, we divided sialoliths into three types:...
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Electrochemical, theoretical and surface physicochemical studies of the alkaline copper corrosion inhibition by newly synthesized molecular complexes of benzenediamine and tetraamine with π acceptor
PublicationTwo charge transfer complexes, namely [(BDAH)+(PA−)] CT1 [(BTAH)2+(PA−)2] and CT2 (BDAH = 1,2-benzenediamine, BTAH = 1,2,4,5-benzenetetramine, and PA− = 2,4,6-trinitrophenolate), were synthesized and fully characterized using various spectroscopic techniques. CT1 and CT2 were tested as inhibitors to effectively control the uniform and anodic corrosion processes of copper in an alkaline electrolyte (1.0 M KOH) using various electrochemical...
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Enzymatic and Chemical Cross-Linking of Bacterial Cellulose/Fish Collagen Composites—A Comparative Study
PublicationThis article compares the properties of bacterial cellulose/fish collagen composites (BC/Col) after enzymatic and chemical cross-linking. In our methodology, two transglutaminases are used for enzymatic cross-linking—one recommended for the meat and the other proposed for the fish industry—and pre-oxidated BC (oxBC) is used for chemical cross-linking. The structure of the obtained composites is characterized by scanning electron...
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Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization
PublicationRuthenium(II) complexes are lately of great scientific interest due to their chemotherapeutic potential asanticancer and antimicrobial agents. Here we present the synthesis of new pyrazole carbothioamidederivatives and their four arene–ruthenium complexes. The title compounds were characterized with theapplication of IR, NMR, mass spectrometry, elemental analysis and X-ray diffraction. Additionally, for newcomplexes DFT calculations...