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Search results for: XRD (X-ray diffraction)
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The XAS spectra of O-K edges, Fe-L edges in pristine, La-, and Nb-doped SFM in 3 states: as-prepared, reduced and reoxidized
Open Research DataThis dataset contains the normalized and exported to *.txt spectra for x-ray absorption spectroscopy. The samples analyzed were strontium ferrite molybdate based, doped with lanthanum and niobium. The powders were measured in as-prepared state (denoted in filename as AP), reduced (red) and reoxidized (reox). The filenames are written accordingly: Edge_(optional:...
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Modelling of acoustic backscattering by southern Baltic herring
PublicationAssessment of Baltic herring abundance can be carried out using acoustic techniques. Analysis of the relationship between the Baltic herring individual target strength, TS, and the total fish length, L, important for the acoustic assessment, showed the relationship to be dependent on the location of the study area. This finding motivated a detailed analysis of the relationship for the herring occurring in the southern Baltic...
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Radiosensitization of DNA in presence of Pt(II)-based compounds
PublicationX-ray irradiation of plasmid DNA in presence of platinum (II)-based compounds was carried out in order to assess the radiosensitization capabilities of these drugs. In present investigations pBR322 plasmid DNA was used to monitor the effectiveness of chosen compounds in inducing strand breaks. Samples were incubated in the presence of potential radiosensitisers: platinum (II) bromide and cis-diamminedibromoplatinum (II). The results...
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Structure and thermoelectric properties of Te/Ag/Ge/Sb (TAGS) materials obtained by reduction of melted oxide substrates
PublicationThe Ge0.77Ag0.1Sb0.13Te1alloy was fabricated by a novel two step route. For that purpose firstly the oxide reagents were melted at high temperature and quenched into pellets. After that pellets were milled to the powder and then reduced in hydrogen at various temperatures and for various periods of time. Energy dispersive X-ray analysis indicated the possibility of successful fabrication of stoichiometric thermoelectric materials...
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Bis(ammonium) Zoledronate Dihydrate
PublicationNeutralization of 2-(1-imidazole)-1-hydroxyl-1,1`-ethylidenediphosphonic acid (zoledronic acid) by an excess of ammonia yielded bis(ammonium) zoledronate dihydrate, {C5H8N2O7P2 2−, 2(H4N+), 2(H2O)}. The product is readily soluble in water and forms monocrystals for which the X-ray structural analysis was carried out. The zoledronic anion is of double negative charge due to deprotonation of three P–OH groups and protonation of the...
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Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
PublicationHydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution...
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Surprising Radiolytic Stability of 8‑Thiomethyladenine in an Aqueous Solution
Publication8-Thiomethyladenine (ASCH3), a potentially radiosensitizing modified nucleobase, has been synthesized in a reaction between 8-thioadenine and methyl iodide. Despite favorable dissociative electron attachment (DEA) characteristics, the radiolysis of an aqueous solution of ASCH3 with a dose of X-ray amounting to as much as 300 Gy leads to no effects. Nevertheless, crossed electron-molecule beam experiments in the gas phase on ASCH3...
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Lattice-commensurate skyrmion texture in a centrosymmetric breathing kagome magnet
PublicationSkyrmion lattices (SkL) in centrosymmetric materials typically have a magnetic period on the nanometer-scale, so that the coupling between magnetic superstructures and the underlying crystal lattice cannot be neglected. We reveal the commensurate locking of a SkL to the atomic lattice in Gd3Ru4Al12 via high-resolution resonant elastic x-ray scattering (REXS). Weak easy-plane magnetic anisotropy, demonstrated here by a combination...
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Advances in mass spectrometry for iron speciation in plants
PublicationIron is an important nutrient essential for plants and critical for human health. The state-of-the art of methods for iron speciation in cereal grains and plant fluids is critically reviewed. Particular attention is given to the latest developments in the coupling of HPLC with the parallel ICP MS and electrospray ionization (ESI) MS/MS detection, usually QTOF MS or Q-Orbitrap MS, for the identification and quantification of iron...
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Chromogenic amides of pyridine-2,6-dicarboxylic acid as anion receptors
PublicationThe synthesis of simple, chromogenic pyridine-2,6-dicarboxylic acid amides, derivates of isomeric nitroanilines and aminonitrophenols, and their ion binding properties are described. The ligands' response to ionic species was examined by naked eye and was studied with the use of UV-Vis spectroscopy in DMSO and its mixture with water. The effect of the localisation and the type of the substituents in aromatic rings were discussed....
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Synthesis of Phosphonated Carbon Nanotubes: New Insight into Carbon Nanotubes Functionalization
PublicationCarbon nanotubes were successfully functionalized for the first time in a free radical phosphonylation reaction. Three synthetic protocols were proposed. Carbon nanotubes and diethylphosphite reacted in the presence of known radical initiator, such as azobisisobutyronitrile, single electron oxidant—Mn(OAc)3, or under UV radiation. The functionalized material was fully characterized by means of spectroscopic methods, together with...
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Effects of V2O5 Additive on Structure and Dielectric Properties of BiNbO4 Ceramics
PublicationGoal of the present research was to investigate the influence of V2O5 additive on the structure and dielectric properties of BiNbO4 ceramics. To fabricate BiNbO4 ceramics with V2O5 added the solid state reaction route and pressureless sintering was utilized. Thus obtained ceramics was characterized in terms of its microstructure (SEM), chemical composition (EDS), phase composition and crystalline structure (X-ray phase and structural...
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Reactivity of bulky aminophosphanes towards small molecules: Activation of dihydrogen and carbon dioxide by aminophosphane/borane frustrated Lewis pairs
PublicationA series of mono- and bisaminophosphanes with formulas R2NPR’R’’ and (R2N)2PR’ (R = iPr, Cy; R’ = Ph, Cy; R’’ = iPr) were characterized by X-ray analysis, NMR spectroscopy and computational methods. The common structural futures of these species are short and polarized PAN bonds, a pyramidal geometry at the P atom and an almost planar geometry at the N atoms. According to DFT calculations, these...
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Structural, electrical, and magnetic study of La-, Eu-, and Er- doped bismuth ferrite nanomaterials obtained by solution combustion synthesis
PublicationIn this work, the multiferroic bismuth ferrite materials Bi0.9RE0.1FeO3 doped by rare-earth (RE = La, Eu, and Er) elements were obtained by the solution combustion synthesis. Structure, electrical, and magnetic properties of prepared samples were investigated by X-ray photoelectron spectroscopy, Mössbauer spectroscopy, electrical hysteresis measurement, broadband dielectric spectroscopy, and SQUID magnetometry. All obtained nanomaterials...
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SEM image and EDS map of SrTi0.50Fe0.50O3-d porous electrode sintered at 800 °C
Open Research DataThis dataset contains image of the SrTi0.50Fe0.50O3-d porous electrode sintered at 800 °C with EDS map analysis results. This study were performed for better understanding the chemical composition of flat like structures that occurs in electrode. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope...
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Analysis of the chemical composition of MnO-B2O3 glass
Open Research DataStructural and thermal properties of xMnO−(100−x)B2O3 (where x = 40, 50 and 60 mol%) glass samples have been investigated with the employment of various techniques. Fourier transform infrared spectroscopy results revealed the influence of MnO on glass matrix. Decrease of B–O bond-related band intensities has been observed. MnO addition was found to...
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Elemental composition of deposited sediments - Warszawska/Havla tram-route junction (2024 May)
Open Research DataThis data set contains the elemental composition results of deposited sediments collected at the tram-route junction in Gdańsk. Samples collected after fifteen months of operation of tram line.
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Petrophysical analyses of rock construction materials from the Roman rural settlement in Podšilo bay on Rab island (NE Adriatic, Croatia)
PublicationThis article presents the results of petrophysical analyses of limestones and sandstones used for the construction of the wall structures of a Roman rural settlement located in Podšilo Bay on Rab Island (Croatia). An on-site analysis of the walls indicated the use of different lithotypes, which is an uncommon case in the area. So far, no petrophysical properties of the applied materials have been tested, and their provenance...
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublicationThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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Solid-State Modification of Poly(butylene terephthalate) with a Bio-Based Fatty Acid Dimer Diol Furnishing Copolyesters with Unique Morphologies
PublicationCopolyesters based on poly(butylene terephthalate) (PBT) and a bio-based fatty acid dimer diol (FADD) were prepared by solid-state modification (SSM). The chemical incorporation of the FADD into the backbone of the PBT was proven using various techniques. It was clear that the incorporation rate was diffusion-limited rather than reaction-limited. From quantitative 13C NMR a nonrandom chemical microstructure was obtained at all...
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Properties of Composite Oxide Layers on The Ti13Nb13Zr Alloy
PublicationThe development of composite oxide layers on the Ti13Nb13Zr alloy, their structure and properties have been demonstrated. Two subsequent methods were applied to prepare the composite layers. During the first stage gas oxidation produced a solid oxide layer, and subsequently oxide nanotubes were produced by using an electrochemical method. Scanning electron microscopy (SEM), chemical analysis, energy dispersive X-ray spectroscopy...
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Impact damage in SiO2 nanoparticle enhanced epoxy – Carbon fibre composites
PublicationLow velocity impact behaviour of nano-SiO2 enhanced carbon fibre/epoxy composites for naval applications is reported. Epoxy resin matrix was enhanced by 1- 8 wt% SiO2 nanoparticles, based on industrial surface-modified nanosilica. Impact parameters: force, deformation, energy, damage size were recorded. The most pronounced effect was damage size decrease; e.g. ∼28% recorded by infrared thermography and X-ray computed radiography...
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The Effect of C45 Carbon Black-Phosphomolybdic Acid Nanocomposite on Hydrogenation and Corrosion Resistance of La2Ni9Co Hydrogen Storage Alloy
PublicationIn this paper, we analysed the influence of corrosion processes and the addition of a carbon black-heteropoly phosphomolybdic acid (C45-MPA) nanocomposite on the operating parameters of a hydride electrode obtained on the basis of the intermetallic compound La2Ni9Co. The electrochemical properties of negative electrodes for NiMH batteries were studied using galvanostatic charge/discharge curves, the potentiostatic method, and electrochemical...
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Laser induced formation of copper species over TiO2 nanotubes towards enhanced water splitting performance
PublicationWe proposed fast and scalable route where the ordered TiO2 nanotubes coated with thin copper layers were annealed by the laser beam of 355 nm wavelength at different fluencies in the range of 15–120 mJ/cm2. As a result, copper species are integrated with the titania substrate and the formed material exhibits unique optical absorption bands in the visible range. Moreover, X-ray photoelectron spectroscopy analysis reveals the formation...
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Numerical investigations of discrete crack propagation in Montevideo splitting test using cohesive elements and real concrete micro-structure
PublicationThe paper is aimed at accurately predicting the discrete fracture process in concrete specimens under complex stress states in two dimensional (2D) simulations. Plain concrete specimens subjected to Montevideo splitting test (MVD) were used for consideration due to non-negligible shear stresses impact in this type of test. In order to reflect the heterogeneous nature of the concrete, the meso-structure of the samples was included...
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Mechanical Behavior of Bi-Layer and Dispersion Coatings Composed of Several Nanostructures on Ti Substrate
PublicationThree coatings suitable for biomedical applications, including the dispersion coating composed of multi-wall carbon nanotubes (MWCNTs), MWCNTs/TiO2 bi-layer coating, and MWCNTs-Cu dispersion coating, were fabricated by electrophoretic deposition (EPD) on Ti Grade II substrate. Optical microscopy, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and nanoindentation were applied to study topography, chemical, and...
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MgPd2Sb : A Mg-based Heusler-type superconductor
PublicationWe report the synthesis and physical properties of a full Heusler compound, MgPd2Sb, which we found toshow superconductivity belowTc=2.2K. MgPd2Sb was obtained by a two-step solid-state reaction methodand its purity and cubic crystal structure [Fm-3m,a=6.4523(1) Å] were confirmed by powder x-ray diffrac-tion. Normal and superconducting states were studied by electrical resistivity, magnetic susceptibility, andheat...
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The XPS studies revealing the surface chemistry of Cu-Sn-TiO2 nanocomposite coatings
Open Research DataThe dataset contains the X-Ray Photoelectron Spectroscopy (XPS) data of nanocomposite Cu-Sn-TiO2 coatings electrodeposited from oxalic acid bath containing Cu and Sn salts as well as TiO2 nanoparticles under various treatments: mechanical stirring, ultrasonic or none. The details of the electrodeposition process are presented in the descriptor file...
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The XPS studies of the CB-PLA electrodes after different surface treatments (chemical, electrochemical, enzymatic)
Open Research DataThe dataset contains the Xray Photoelectron Spectroscopy results of the studies performed under different conditions of surface activation of the CB-PLA 3D printed electrodes. The activation was performed by hydrolysis in different solvents (DMF, 1M HCl, 1M NaOH), electrolysis in 1M NaOH, enzymatic treatment in polymerase or simultaneous electrolysis...
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Hydrazinolysis Products of Selected Sugar Lactones—Crystal Structure and Microbiological Activity
PublicationCommercially available lactones, as well as those synthesized by us, turned out to be good substrates for the synthesis of sugar hydrazides. The exception was L-ascorbic acid, whose hydrazinolysis led to the formation of a hydrazinium salt, not the hydrazide as expected. The structure of all compounds was confirmed by NMR and X-ray analyses. The lower durability of hydrazinium L-ascorbate was additionally confirmed by thermogravimetric...
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Solid State Conductivity of Optimized Polypyrrole Coatings on Iron Obtained from Aqueous Sodium Salicylate Solution Determined by Impedance Spectroscopy
PublicationIn this work the optimization procedure for corrosion resistance, surface analysis and electrical properties of PPy-Fe electrodes have been examined. Polypyrrole (PPy) film was electrochemically synthesized in a one step process from an aqueous solution of sodium salicylate and pyrrole with certain concentrations, different parameters and type of polymerization...
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A Probe into the Corrosion Behavior of a WE43B Magnesium Alloy in a Simulated Body Fluid using Dynamic Electrochemical Impedance Spectroscopy
PublicationWE43B is one of the newest Mg alloys with practical application in biomedical implant technology. This work attempts to scrutinize the corrosion characteristics of WE43B alloy in a simulated body fluid (SBF) at a typical body temperature. The dynamic-electrochemical impedance spectroscopy with the capacity to track changes on surfaces in a dynamic corrosive system is used in combination with other classical techniques namely, linear...
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Ellipsometric investigation of nitrogen doped diamond thin films grown in microwave CH4/H2/N2 plasma enhanced chemical vapor deposition
PublicationThe influence of N2 concentration (1%–8%) in CH4/H2/N2 plasma on structure and optical properties of nitrogen doped diamond (NDD) films was investigated. Thickness, roughness, and optical properties of the NDD films in the VIS–NIR range were investigated on the silicon substrates using spectroscopic ellipsometry. The samples exhibited relatively high refractive index (2.6 6 0.25 at 550 nm) and extinction coefficient (0.05 6 0.02...
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Assessment of Corrosive Behaviour and Microstructure Characterization of Hybrid Friction Stir Welded Martensitic Stainless Steel
PublicationThis study examined the effect of induction heating on the microstructure and corrosion characteristics of hybrid friction stir welded AISI 410 stainless steel. Five joints have been produced with different friction stir welding parameters like welding speed, spindle speed, plunge depth, and induction power. Their microstructures were evaluated using a scanning electron microscope, and chemical composition was examined using...
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Sequence-dependent structural properties of B-DNA: what have we learned in 40 years?
PublicationThe structure of B-DNA, the physiological form of the DNA molecule, has been a central topic in biology, chemistry and physics. Far from uniform and rigid, the double helix was revealed as a flexible and structurally polymorphic molecule. Conformational changes that lead to local and global changes in the helix geometry are mediated by a complex choreography of base and backbone rearrangements affecting the ability of the B-DNA...
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Effect of double thermal and electrochemical oxidation on titanium alloys for medical applications
PublicationThe research focuses on the development and characterization of innovative thin hybrid oxide coatings obtained in subsequent processes of thermal (TO) and electrochemical (EO) oxidation. Four different surface modifications were investigated and the microstructure was determined, the mechanical, chemical and biological properties of the Ti-13Nb-13Zr alloy were assessed using scanning electron microscopy, X-ray dispersion analysis,...
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EXPERIMENTAL AND NUMERICAL INVESTIGATIONS OF CONCRETE BEHAVIOUR AT MESO-LEVEL DURING QUASI-STATIC SPLITTING TENSION
PublicationThe paper describes experimental and numerical results of quasi-static splitting tensile tests on concrete specimens at meso-scale level. The loading strip was made of plywood or steel. Fracture in concrete was detected at the aggregate level by means of three non-destructive methods: 3D x-ray micro-computed tomography, 2D scanning electron microscope and manual 2D digital microscope. The discrete element method was used to directly...
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Applicability of phenolic acids as effective enhancers of cocrystals solubility of methylxanthines
PublicationApplicability of phenolic acids as potential cocrystal formers for methylxanthine derivatives was analyzed both in terms of cocrystallization probabilities and solubility advantage. The cocrystal formation abilities were evaluated using mixing enthalpy estimated within the conductor like screening model for real solvents (COSMO-RS) framework. The solubility improvement of potential cocrystals was estimated by formulation of the...
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Bioactive and biodegradable cotton fabrics produced via synergic effect of plant extracts and essential oils in chitosan coating system
PublicationFunctional antibacterial textile materials are in great demand in the medical sector. In this paper, we propose a facile, eco-friendly approach to the design of antibacterial biodegradable cotton fabrics. Cotton fiber fabrics were enhanced with a chitosan coating loaded with plant extracts and essential oils. We employed Fourier-transform infrared (FTIR) and X-ray photoelectron spectroscopy (XPS), UV–Vis spectrophotometry, optical...
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Analiza elektronomikroskopowa próbek pyłów z Gdańska i Zabrza
PublicationCelem badań była analiza morfologiczna cząstek pyłów oraz analiza składu elementarnego próbek pyłów przy pomocy mikroanalizatora rentgenowskiego EDX (Energy Dispersive X-Ray Spectroscopy). Próbki pyłów do analizy pobierano na terenie Gdańska i Zabrza. Zidentyfikowane przy pomocy TEM i SEM cząstki występujące w pobranych próbkach podzielono na trzy grupy ze względu na ich kształt: cząstki zaokrąglone, cząstki o kształcie nieregularnym,...
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Unusual behaviour of (Np,Pu)B2C
PublicationTwo transuranium metal boron carbides, NpB2C and PuB2C have been synthesized by argon arc melting. The crystal structures of the {Np,Pu}B2C compounds were determined from single-crystal X-ray data to be isotypic with the ThB2C-type (space group R3m, a = 0.6532(2) nm; c = 1.0769(3) nm for NpB2C and a = 0.6509(2) nm; c = 1.0818(3) nm for PuB2C; Z = 9). Physical properties have been derived from polycrystalline bulk material in the...
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Problems of Measuring Gas Content in Oil in a Two-Phase Flow: A Review
PublicationIn view of the necessity of measuring the air content in oil in two-phase flows in the context of general industry, a review of the most popular methods of measuring the air content in oil was carried out. This review includes an assessment of their advantages and disadvantages and of whether they meet criteria such as the degree of filling, the size and number of bubbles, verification, the absence of additional pressure drops,...
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Experimental review of the performances of protective coatings for interconnects in solid oxide fuel cells
PublicationFerritic stainless steel interconnects are used in solid oxide fuel cells; however, coatings are required to improve their performance. Although several types of coatings have been proposed, they have been scarcely investigated under similar conditions. This study compares the characteristics of uncoated Crofer 22 APU and eight different coatings on Crofer 22 APU for up to 3000 h at 800 ◦C. The coatings were deposited at various...
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The Effect of Sodium Tetrafluoroborate on the Properties of Conversion Coatings Formed on the AZ91D Magnesium Alloy by Plasma Electrolytic Oxidation
PublicationMagnesium and its alloys are widely used in many areas because of their light weight, excellent dimensional stability, and high strength-to-weight ratio. However, the material exhibits poor wear and corrosion resistance, which limits its use. Plasma electrolytic oxidation (PEO) is an effective surface modification method for producing ceramic oxide layers on Mg and their alloys. The influence of the additions of sodium tetrafluoroborate...
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In-situ odd random phase electrochemical impedance spectroscopy study on the electropolymerization of pyrrole on iron in the presence of sodium salicylate – The influence of the monomer concentration
PublicationIn this work, the potentiostatic electropolymerization of polypyrrole (PPy) on iron in aqueous solution of sodium salicylate and pyrrole is studied in situ by odd random phase electrochemical impedance spectroscopy (ORP-EIS). The influence of the pyrrole concentration on the electrosynthesis process is investigated. The ORP-EIS technique ensures a reliable analysis of the PPy electrosynthesis on iron by means of an advanced data...
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Free-standing TiO2 nanotubes decorated with spherical nickel nanoparticles as a cost-efficient electrocatalyst for oxygen evolution reaction
PublicationHere, we report significant activity towards the oxygen evolution reaction (OER) of spherical nickel nanoparticles (NPs) electrodeposited onto free-standing TiO2 nanotubes (TNT) via cyclic voltammetry. It has been shown that simple manipulation of processing parameters, including scan rate and number of cycles, allows for formation of the NPs in various diameters and amounts. The polarization data with respect to transmission electron...
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Theoretical and Experimental Studies on the Visible Light Activity of TiO2 Modified with Halide-Based Ionic Liquids
PublicationFormation of a surface complex between organic molecules and TiO2 is one of the possible strategies for the development of visible light-induced TiO2 photoactivity. Herein, three ionic liquids (ILs) with the same cation and dierent anions (1-butylpirydynium chloride/bromide/iodide) have been applied for the surface modification of TiO2 and to understand the role of anions in visible light-induced activity of ILs-TiO2 systems. Photocatalytic...
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Photochemical Rearrangement of a 19-Membered Azoxybenzocrown: Products and their Properties
PublicationThe preparation and characterization of products of the chemical and photochemical rearrangements of a 19-membered o,o'-azoxybenzocrown were presented. In photochemical rearrangement, besides expected product i.e. 19-membered o-hydroxy-o,o'-azobenzocrown (19-o-OH), obtained under defined conditions with 75% yield, also other macrocyclic products were isolated and identified, namely: 19-membered p-hydroxy-o,o'-azobenzocrown (19-p-OH),...
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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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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...