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Crystal structure and physical properties of a novel ternary compound La15MoxGe9
PublikacjaWe present the synthesis, structural characterization and physical properties measurements of a new compound, La15MoxGe9 in Mn5Si3-type derived structure with interstitial Mo. The sample was synthesized by arc-melting method. La15MoxGe9 crystallizes in non-centrosymmetric hexagonal structure P63mc (#186) with lattice parameters a = b = 15.495(5) Å and c = 6.917(2) Å. The refinement on single X-ray diffraction data show that interstitial...
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Use of Ginger Nanofibers for the Preparation of Cellulose Nanocomposites and Their Antimicrobial Activities
PublikacjaHere, we report, for the first time, the isolation of ginger nanofibers (GNF) from ginger rhizomes spent by acid hydrolysis and followed by high-pressure homogenization. Scanning electron microscopy was utilized to identify the surface morphology of the GNF and the widths ranged between 130 to 200 nm. Structural analysis of GNF was identified by Fourier transform infrared spectroscopy, Differential scanning calorimetry, and X-ray...
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Effect of MAO coatings on cavitation erosion and tribological properties of 5056 and 7075 aluminum alloys
PublikacjaTwo ceramic coatings have been applied on 5056 and 7075 aluminum alloy by microarc oxidation (MAO) technology. The mass losses, surface morphologies and the phase constituents of the MAO coatings before and after cavitation tests were examined by means of digital scales, scanning electron microscopy (SEM) and X-ray diffraction (XRD), respectively. In order to assess the impact of the mechanical properties of the surface layer on...
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Recent Developments in Data-Assisted Modeling of Flexible Proteins
PublikacjaMany proteins can fold into well-defined conformations. However, intrinsically-disordered proteins (IDPs) do not possess a defined structure. Moreover, folded multi-domain proteins often digress into alternative conformations. Collectively, the conformational dynamics enables these proteins to fulfill specific functions. Thus, most experimental observables are averaged over the conformations that constitute an ensemble. In this...
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A Comprehensive Experimental and Theoretical Study on the[{(η5-C5H5)2Zr[P(µ-PNEt2)2P(NEt2)2P]}2O Crystalline System
PublikacjaThe structure of tetraphosphetane zirconium complex C52H100N8OP10Zr21 was determined by single crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c, with a = 19.6452(14), b = 17.8701(12), c = 20.7963(14)Å, α = γ = 90°, β = 112.953(7)°, V = 6722.7(8)Å3, Z = 4. The electronic structure of the organometallic complex has been characterized within the framework of Quantum Chemical Topology....
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ortho-Fluorobenzanilides and ortho-fluorothiobenzanilides: Molecular conformations and crystal packing
PublikacjaSeries of 2-fluoro and 2,6-difluorobenzanilides and their thiobenzanilide analogs have been synthesized to investigate the influence of the fluorine atom on their crystal structures and self-assembly in the crystal lattice. The X-ray analysis of the single crystal revealed that the synthesized molecules adopt a geometry being deflected from planarity. The deflection was investigated by analysis of dihedral angles between mean planes...
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Use of radiography images and gray level co-occurrence matrix to investigate gravitational granular flow
PublikacjaThe paper presents analysis of granular gravitational flow based on radiography images processing. The investigations were conducted for silo model geometry with concentric/eccentric discharging modes. The continuous X-ray radiography scans of granular material distribution, acquired during flow, were obtained by means of an especially designed model silo with rectangular bin and different settings of hopper angles. Image processing...
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Corrosion Inhibition of Aluminium Alloy AA6063-T5 by Vanadates: Local Surface Chemical Events Elucidated by Confocal Raman Micro-Spectroscopy
PublikacjaChemical interactions between aqueous vanadium species and aluminium alloy AA6063-T5 were investigated in vanadate-containing NaCl solutions. Confocal Raman and X-ray photoelectron spectroscopy experiments were utilised to gain insight into the mechanism of corrosion inhibition by vanadates. A greenish-grey coloured surface layer, consisting of V+4 and V+5 polymerized species, was seen to form on the alloy surface, especially on...
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CeIr3: superconductivity in a phase based on tetragonally close packed clusters
PublikacjaWe present the crystallographic analysis, superconducting and spectroscopic characterization, and theoretical modeling of CeIr3. Lattice parameters a = 5.2945(1) Å and c = 26.219(1) Å are found for the R-3m symmetry crystal structure, which are close to the literature values. CeIr3 is a moderate type-II superconductor (κ GL = 17, λ e–p = 0.65) below 2.5 K. Ce ions exhibit a strongly intermediate valence character as evidenced by...
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A Simple Replica Method as the Way to Obtain a Morphologically and Mechanically Bone-like Iron-Based Biodegradable Material
PublikacjaPorous iron-based scaffolds were prepared by the simple replica method using polyurethane foam as a template and applying the sintering process in a tube furnace. Their surface morphology was characterized using scanning electron microscopy (SEM) and phase homogeneity was confirmed using X-ray diffraction (XRD). Corrosion behavior was determined using immersion and potentiodynamic polarization methods in phosphate buffered saline...
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Intermetallic disordered magnet Gd2Pt1.1Ge2.9 and its relation to other AlB2 -type compounds
PublikacjaThe intermetallic germanide Gd 2 Pt 1.1 Ge 2.9 was synthesized using an arc-melting method. The crystal structure was characterized using powder x-ray diffraction, revealing a disordered ternary AlB 2 -type structure (space group P 6 / m m m , No. 191) with lattice parameters a = 4.2092 ( 1 ) Å and c = 4.0546 ( 2 ) Å . Physical properties were investigated by magnetic susceptibility and heat capacity measurements, which...
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Fibrillar aggregates in powdered milk
PublikacjaThis research paper addresses the hypothesis that powdered milk may contain amyloid fibrils. Amyloids are fibrillar aggregates of proteins. Up to this time, research on the presence of amyloids in food products are scarce. To check the hypothesis we performed thioflavin T fluorescence assay, X-ray powder diffraction, atomic force microscopy and fluorescence microscopy imaging. Our preliminary results show that commercially available...
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Ti-Fe2O3/In2O3 as photoactive material: The role of the substrate in photoelectrochemical water oxidation
PublikacjaThe layers of Ti-Fe2O3/In2O3 were prepared on the different substrates using hydrothermal method: Ti/TiO2 nanotubes, Ti foil, FTO and FTO/TiO2. Materials were characterized using scanning electron microscopy, XRD, Raman, UV-Vis, and X-ray photoelectron spectroscopy and tested as photoanodes for water oxidation under illumination. The formation of heterojunction on the TiO2 nanotubes increases photocurrent of water oxidation at...
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Chromogenic azomacrocycles with imidazole residue: Structure vs. properties
PublikacjaNew diazo macrocycles linked by hydrocarbon chain bearing imidazole or 4-methylimidazole residue have been synthetized with satisfactory yield (24–55%). The structure of macrocycles was confirmed by X-ray analysis and spectroscopic methods (1H NMR, MS, FTIR). Metal cation complexation studies were carried out in acetonitrile and acetonitrile-water system. It was found that azomacrocyles form triple-decker complexes with lead(II)....
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Intermolecular Hydrogen Bonding Directed by Aryl–Perfluoroaryl π–π Stacking Interactions
PublikacjaThe crystal structures of five compounds capable of forming self-complementary hydrogen bonds but crystallizing as catemers or creating more complex crystal structures were compared with their complexes prepared by cocrystallization with perfluoroaryl compounds. The results of X-ray diffraction revealed that in all the cases the π–π stacking interactions caused reorganization of hydrogen bonds and induced creation of the expected...
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Hydration of Oxometallate Ions in Aqueous Solution
PublikacjaThe strength of hydrogen bonding to and structure of hydrated oxometallate ions in aqueous solution have been studied by double difference infrared (DDIR) spectroscopy and large-angle X-ray scattering (LAXS), respectively. Anions are hydrated by accepting hydrogen bonds from the hydrating water molecules. The oxygen atom of the permanganate and perrhenate ions form weaker and longer hydrogen bonds to water than the hydrogen bonds...
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Novel tetrahedral cobalt(II) silanethiolates: structures and magnetism
PublikacjaThree heteroleptic complexes of Co(II) tri-tert-butoxysilanethiolates have been synthesized with piperidine [Co{SSi(OtBu)3}2(ppd)2] 1, piperazine [Co{SSi(OtBu)3}2(NH3)]2(μ-ppz)·2CH3CN 2, and N-ethylimidazole [Co{SSi(OtBu)3}2(etim)2] 3. The complexes have been characterized by a single-crystal X-ray, revealing their tetrahedral geometry on Co(II) coordinated by two nitrogen and two sulfur atoms. Complexes 1 and 3 are mononuclear,...
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The structure of lead-silicate glasses containing nanocrystallites of iron oxides
Dane BadawczeThe structure of iron-doped glasses and glass-ceramics were studied. Samples has the composition of (50 − 0.5x)SiO2–(50 − 0.5x)PbO–xFe2O3, where x = 2, 5, 10, 15, 20 and 25 (in mol%). All samples were prepared by the conventional melt quenching technique; the melting was conducted in air at 1623 K in alumina crucibles. The melts were poured on a brass...
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XRD patterns of V2O5 thin films deposited on quartz glass
Dane BadawczeThe DataSet contains the XRD patterns of V2O5 thin films deposited on a quartz glass substrate. The as-prepared thin films were annealing under an oxidizing atmosphere in the temperature range 200-600C. The results show that the structure of the films dependent on the annealing temperature.
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Structural phase transitions in multicomponent La0.2Nd0.2Sm0.2Gd0.2RE50.2NbO4 (RE5 = Ho, Y, Tb, Eu, Pr) oxides
PublikacjaIn this work, the influence of compositional complexity on the structural and thermal properties of multicomponent rare-earth ortho-niobates from the La0.2Nd0.2Sm0.2Gd0.2RE50.2NbO4 (RE5 = Ho, Y, Tb, Eu, Pr) series have been investigated. Based on X-ray powder diffraction studies using synchrotron radiation, it was found that all tested materials were pure single-phase compositions and showed stability in the monoclinic I2/c crystal...
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TiO2 /SrTiO3 and SrTiO3 microspheres decorated with Rh, Ru or Pt nanoparticles: Highly UV–vis responsible photoactivity and mechanism
PublikacjaA series of TiO2/SrTiO3 and SrTiO3 microspheres decorated by Rh, Ru or Pt NPs were prepared by facile hydrothermal method. The as-prepared samples were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) with energy-dispersive Xray (EDX) spectroscopy, scanning electron microscopy (SEM), photoluminescence spectrometry (PL), Fourier transform infrared (FT-IR) and...
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Influence of synthesis conditions on glass formation, structure and thermal properties in the Na 2 O-CaO-P 2 O 5 system doped with Si 3 N 4 and Mg
PublikacjaOxynitride phosphate glasses and glass-ceramics were prepared using new synthesis routes for phosphate glasses. Materials were melted from pre-prepared glass samples in the system Na-Ca-P-O with addition of Mg and/or Si3N4 powders under different preparation conditions. The melting process was conducted at 1000–1500 °C either under air or nitrogen atmosphere to obtain materials with different nitrogen content. Their topography...
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A new simple approach to prepare rare-earth metals-modified TiO2 nanotube arrays photoactive under visible light: Surface properties and mechanism investigation
PublikacjaApplication of Ti90RE10 alloys (RE = Ho, Er, Nd, Y, Ce, Tm) as a working electrode, instead of Ti pure foil in anodic oxidation in a fluoride-based electrolyte, resulted in formation of well-ordered nanotubes made of TiO2 and RE2O3 mixture, which could be efficiently used for pollutant removal from water and air phase upon UV and visible irradiation and easily separable from the reaction mixture to recycle. The as-prepared NTs...
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Study of Integer Spin S = 1 in the Polar Magnet β-Ni(IO3)2
PublikacjaPolar magnetic materials exhibiting appreciable asymmetric exchange interactions can potentially host new topological states of matter such as vortex-like spin textures; however, realizations have been mostly limited to half-integer spins due to rare numbers of integer spin systems with broken spatial inversion lattice symmetries. Here, we studied the structure and magnetic properties of the S = 1 integer spin polar magnet β-Ni(IO3)2...
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PREPARATION AND CHARACTERIZATION OF CoFe2O4/TiO2-PANI HYBRID NANOCOMPOSITE WITH MAGNETIC AND PHOYOCATALYTIC ACTIVITY
PublikacjaHybrid nanocomposites consisting of inorganic component and organic conducting polymer are promising materials, which can be applied in heterogeneous photocatalysis. Titanium(IV) oxide is widely used photocatalysts due to its non-toxicity, low cost and chemical stability. The main disadvantage of TiO2 is low photocatalytic activity under visible light. Conducting polymers, also known as conjugated polymers are polymer materials...
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Vehicular Communication Environments
PublikacjaCommunication to and between road vehicles (cars, truck, buses, trains, etc.) are of growing interest. This is partly due to the attractive services that cooperative intelligent transport systems (C-ITSs) provides, mainly in the areas of traffic safety and traffic efficiency. An enabler for C-ITS is wireless vehicle-to-vehicle (V2V) and vehicle-to-infrastructure (V2I) communication, collectively referred to as vehicle-to-X (V2X)...
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Electrocatalytic water splitting by bifunctional Zircon-doped borophene
Dane BadawczeThe data in the folder represent modified boron for use in electrochemical water splitting half reactions. The oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) play a vital role in renewable energy applications such as water splitting. Borophene, a two-dimensional (2D) boron-based material, has garnered significant attention due...
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The topography of Bi2VO5.5 ceramic measured with SEM and confocal microscope
Dane BadawczeThe topography of Bi2VO5.5 ceramics was measured by SEM and confocal microscope.
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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
Dane BadawczeThis 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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XPS data of MXene catalyst
Dane BadawczeData contain results from XPS measurement of the Ti3C2Tx MXenes produced via acidic etching aluminum from MAX Phase (Ti3C2-Al-Ti3C2-Al-Ti3C2) using 48% HF etching agent (MXene HF). The X-ray spectroscopy (XPS) measurements were conducted using Mg Ka (hn = 1253.6 eV) radiation in a Prevac (Poland) system equipped with a Scienta SES 2002 (Sweden) electron...
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Radioactivity of drilling cuttings from shale resources of the Lower Paleozoic Baltic Basin, Poland
PublikacjaFractionated drilling wastes originating from shale gas exploration in the Baltic Basin in Pomerania were subjected to the measurements of mean activity concentrations of naturally occurring radioactive materials (NORMs).To better understand rock structure and texture, the X-ray diffraction analysis (XRD) and scanning electron microscopy(SEM) observation were used. To compare activity concentration of radionuclides in bulk wastes...
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Modelling of acoustic backscattering by southern Baltic herring
PublikacjaAssessment 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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Surprising Radiolytic Stability of 8‑Thiomethyladenine in an Aqueous Solution
Publikacja8-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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Chromogenic amides of pyridine-2,6-dicarboxylic acid as anion receptors
PublikacjaThe 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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Effects of V2O5 Additive on Structure and Dielectric Properties of BiNbO4 Ceramics
PublikacjaGoal 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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Advances in mass spectrometry for iron speciation in plants
PublikacjaIron 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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Copper-based 2D-coordination polymer as catalyst for allylation of aldehydes
PublikacjaA copper-tartrate, [Cu2(Tart)2(H2O)2]·4H2O, was synthesized at room temperature in aqueous media using copper chloride and D-tartaric acid. The compound crystallizes in the monoclinic system P21 space group and was characterized by infrared spectroscopy, thermogravimetry, X-ray powder diffraction and the results are in good agreement with the single crystal...
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Reduced Graphene Oxide Joins Graphene Oxide To Teach Undergraduate Students Core Chemistry and Nanotechnology Concepts
PublikacjaNovel carbon nanomaterials such as reduced graphene oxide (rGO) and graphene oxide (GO) can be easily incorporated into the undergraduate curriculum to discuss basic chemistry and nanotechnology concepts. This paper describes a laboratory experiment designed to study the differences between GO and rGO regarding their physico-chemical properties (e.g. color, hydrophobicity, type of functional groups, electrical conductivity etc.)....
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La 15 Nb x Ge 9 : a superstructure of the Mn 5 Si 3 structure type with interstitial Nb atoms
PublikacjaThe crystal structure and elementary properties of La15NbxGe9 are reported. Single-crystal X-ray diffraction,from a crystallite with only 0.12 Nb/formula unit, reveals that this compound, although transition metal deficient, crystallizes in a hexagonal “15-1-9”-like structure type, space group P63mc (no. 186) with lattice parameters a = b = 15.5017(2) Å, c = 6.9173(2) Å. The physical properties were examined by specific heat and resistivity...
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Synthesis, structural and spectroscopic properties of asymmetric schiff bases derived from 2,3-diaminopyridine
PublikacjaTwo Schiff base derivatives, 4-(2-amino-3-pyridyliminomethyl)phenol (I) and 3-(2-amino-3- pyridyliminomethyl)nitrobenzene (II ), were synthesised and characterised by spectroscopy. The structure of I was determined by single crystal X-ray diffraction studies. The asymmetric Schiff base derived from 2,3-diaminopyridine selectively recognise transition and heavy metal cations, and some anion. Ligands I and II form stable complexes...
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Bis(ammonium) Zoledronate Dihydrate
PublikacjaNeutralization 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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Structure and thermoelectric properties of Te/Ag/Ge/Sb (TAGS) materials obtained by reduction of melted oxide substrates
PublikacjaThe 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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Effect of plasma sprayed and laser re-melted Al2O3 coatings on hardness and wear properties of stainless steel
PublikacjaCommercially available austenic stainless steel substrate was coated with commercially available, raw Al2O3 powder applied by means of plasma spraying method and then re-melted with CO2 laser beam of various parameters. Tribological and mechanical properties of the 120 J/mm and 160 J/mm laser re-melted coatings were compared with the tribological and mechanical properties of the “as-sprayed” coating. The influence of the laser...
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Comparison of the coordination geometries of Zn(II) and Cd(II) ions in complexes with water, methanol and bulky aryloxysilanethiolate ligands
PublikacjaZinc and cadmium complexes containing silanethiolate anions and methanol or water were synthesized and characterized by X-ray diffraction, FT-IR and NMR spectroscopy, and DFT calculations. Contrary to zinc, the cadmium ion utilizes very weak donors to complete its coordination sphere; it forms contacts to phenyl rings of the silanethiolate ligand. Two zinc analogs of the general formula [Zn{SSi(OAr)3}2(L)2] where L = CH3OH (2)...
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Radiosensitization of DNA in presence of Pt(II)-based compounds
PublikacjaX-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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Thickness and structure change of titanium (IV) oxide thin films synthesized by the sol–gel spin coating method
PublikacjaTitanium dioxide is a well-known material in nanotechnology, while it provides new opportunities due to its interesting properties, for example, as a semiconductor with a quite significant forbidden band gap energy of 3.2 eV. In this study, thin films of titanium dioxide (TiO2) were synthesized in amorphous and crystallographic systems using the sol–gel process. Atomic Force Microscopy (AFM), Raman spectroscopy and X-ray diffraction...
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Crystal structure and electronic structure of CePt2In7
PublikacjaWe report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt–In stacking along the c-direction in this layered material than was previously reported. In addition, all of the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of...
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Morphology and local chain structure of polyamide 6 modified in the solid state with a semi-aromatic nylon salt
PublikacjaStructural and conformational differences between the polyamide 6 (PA6) homopolymer and two copolymers of PA6 modified in the solid state with 20 and 30 wt% of the semi-aromatic nylon salt of 1,5-diamino-2-methylpentane (Dytek A) and isophthalic acid (IPA) in the feed were investigated. Room temperature wide-angle X-ray diffraction (WAXD) analysis together with 13C{1H} cross-polarization/magic-angle spinning solid-state (CP/MAS)...
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Reactivity of bulky aminophosphanes towards small molecules: Activation of dihydrogen and carbon dioxide by aminophosphane/borane frustrated Lewis pairs
PublikacjaA 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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The effect of morphology and crystalline structure of Mo/MoO3 layers on photocatalytic degradation of water organic pollutants
PublikacjaMolybdenum oxide layers were formed by anodization of the Mo metallic foil in a water/ethylene glycol-based electrolyte containing fluoride ions. The as-prepared, amorphous samples were annealed in air at different temperatures in a range from 100 �C to 700 �C. The crystal phase and morphology of anodized and annealed MoO3 layers were investigated using X-ray diffraction, Raman spectroscopy, and scanning electron microscopy. The...