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Search results for: DIRAC ONE-ELECTRON ATOM
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Lanthanum investigations in ceramics annealed in a dry and wet atmosphere
Open Research DataCeramics based on Barium, Lanthanum, Gadolinium and Cobaltium were produced by standard solid state reaction from oxides and carbonate powders. After sintring, samples were annealed for 2 hours or 72 hours at 300 Celsius degree in a both: wet and dry atmosphere. Results of annealing on a chemical composition and valence state of lanthanum were observed...
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XPS analysis of TBBO glass
Open Research DataGlasses and glass-ceramics with nominal composition 73 TeO2– 4BaO– 3Bi2O3–18SrF2-2RE2O3 (where RE = Eu, Dy) have been synthesized by conventional melt-quenching technique and subsequent heat treatment at 370 °C for 24 h in air atmosphere. Various Eu3+ to Dy3+ molar ratio have been applied to investigate luminescence properties in both glass and glass-ceramic...
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Investigations of the valence state of Co in a MnCoO ceramics
Open Research DataMcCoO ceramics materials were produced by solid state reaction and sintred in a furnance in air atmosphere for 20h. Annealing temperature was 600 Celsius degree. For investigations a series of samples, with a various composition was chosen: MnCoO, Mn, Co2O and Mn2CoO. Chemical behaviour of the Cobaltium was measured by XPS method. The analyses were...
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Fully scalable one-pot method for the production of phosphonic graphene derivatives
PublicationGraphene oxide was functionalized with simultaneous reduction to produce phosphonated reduced graphene oxide in a novel, fully scalable, one-pot method. The phosphonic derivative of graphene was obtained through the reaction of graphene oxide with phosphorus trichloride in water. The newly synthesized reduced graphene oxide derivative was fully characterized by using spectroscopic methods along with thermal analysis. The morphology...
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Intercomparison of TEC obtained from the IRI model to the one derived from GPS measurements
PublicationIRI (International Reference Ionosphere) is a well-known standard of the ionosphere, but nowadays GPS permanent observations are also the base of the regional and global ionosphere models. In this paper, comparison of TEC (Total Electron Content) derived from the IRI model to the global TEC parameters derived from GPS measurements is presented. Global TEC maps show, that GPS derived ionosphere models, in opposition to the IRI,...
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High Temperature Corrosion Evaluation of Porous Hastelloy X Alloy in Air and Humidified Hydrogen Atmospheres
PublicationIn this work a commercially available porous Hastelloy X alloy is characterized in terms of high temperature corrosion resistance. The alloy was oxidized in the temperature range from 500C to 900C in air and humidified hydrogen for 100 hours. Corrosion rates and porosity changes were measured. Microstructural characterization was performed using X-ray diffractometry and scanning electron microscopy. Results show that porous alloys...
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Rubber devulcanization in the planetary extruder – processing properties and structure
PublicationThermo-mechanical devulcanization process of ground tire rubber (GTR) in aplanetary ex-truder was investigated. The rheological properties of reclaimed rubber (rGTR) were studied using aMooney viscometer and arubber processing analyzer (RPA). Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM) were used to determine reclaimed rubber structure. Increasing the scale of the devulcanization process...
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Analysis of pesticide residue in tomato samples using analytical protocol based on application of QuEChERS technique and GC-ECD system
PublicationQuEChERS sample preparation method was used for the determination of 10 pesticides and their metabolites in tomato samples, coupled to gas chromatography with electron capture detector (GCECD). The experimental parameters including oven temperature program, amount of the sample and purifying agent were optimized. The GC-ECD method was validated in terms of linearity, selectivity and recovery. The limits of detection (LODs) of the...
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High order of nongeminate recombination in organic bulk heterojunction solar cells
PublicationWe analyze high order of nongeminate recombination in organic donor–acceptor bulk heterojunction solar cells. The model of recombination where an exciton annihilates on an electron–hole Langevin bound pair near donor–acceptor interface has been applied in our studies. We obtained satisfactory agreement between experimental results and theoretical calculations for the concentration dependences of several parameters characterizing...
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Impedance Studies of Phosphate-iron Glasses Containing Niobium and Titanium
PublicationThe ac and dc conductivity in phosphate-iron-niobate glasses with addition of titanium oxide was investigated as a function of temperature and frequency with the use of impedance spectroscopy. The topography and microstructure of glasses were investigated by the means of X-ray diffraction (XRD), scanning electron microscopy (SEM), and confocal microscopy methods. The obtained results show that all samples are amorphous but they...
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Synergic Effect of Naphthylated Carbon Nanotubes and Gold Nanoparticles on Catalytic Performance of Hybrid Films Containing Bilirubin Oxidase for the Dioxygen Reduction
PublicationTo improve the direct electron transfer from a multicopper oxidase MvBOd to the glassy carbon electrode surface the naphthylated multiwall carbon nanotubes (Napht-MWCNTs) are ombined with gold nanoparticles (AuNPs) to form a conductive network at the electrode and to increase its working surface. Such approach allowed to eliminate the necessity of employing mediators to reach elevated current values. The enzyme stability was improved...
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Superconductivity in the Endohedral Ga Cluster Compound PdGa5
PublicationSuperconductivity is observed below Tc = 1.6 K in an endohedral Ga cluster compound PdGa5 using magnetization and heat capacity measurements. Electronic structure calculations show that the density of states (DOS) at the Fermi level is dominated by Ga s and p states and that the overall shape of DOS is similar to what was found in other endohedral Ga cluster superconductors, such as MoxGa5x+1, ReGa5, and T2Ga9 (T = Rh and Ir)....
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Hyaluronan-Chondroitin Sulfate Anomalous Crosslinking Due to Temperature Changes
PublicationGlycosaminoglycans are a wide class of biopolymers showing great lubricating properties due to their structure and high affinity to water. Two of them, hyaluronic acid and chondroitin sulfate, play an important role in articular cartilage lubrication. In this work, we present results of the all-atom molecular dynamics simulations of both molecules placed in water-based solution. To mimic changes of the physiological conditions,...
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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublicationThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...
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Atmospheric degradation mechanism of anthracene initiated by OH•: A DFT prediction
PublicationDensity functional theory (DFT) calculations at the M06-2X/def2-TZVP level have been employed to investigate the atmospheric oxidation mechanism of anthracene (ANT) initiated by HO•. Direct hydrogen atom abstraction from the ANT using HO• takes place hardly at ambient conditions while the addition of HO• to the C1, C2, and C4 sites are thermodynamically and kinetically more advantageous. The addition reactions are controlled by...
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Structure and properties of the exopolysaccharides produced by Pseudomonas mutabilis T6 and P. mutabilis ATCC 31014
PublicationThis paper presents a study on the purification, primary structure, and rheological properties of exopolysaccharides isolated from cultures of Pseudomonas mutabilis T6 and P. mutabilis ATCC 31014. Both polymers are exopolysaccharides of D-mannose. The mannan isolated from P. mutabilis T6 contains on average about 5% of residual b-D-glucose, in contrast to the mannan from P. mutabilis ATCC 31014, which contained only trace amounts...
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Synthesis, Molecular Structure, Metabolic Stability and QSAR Studies of a Novel Series of Anticancer N-Acylbenzenesulfonamides
PublicationA series of novel N-acyl-4-chloro-5-methyl-2-(R1-methylthio)benzenesulfonamides 18–47 have been synthesized by the reaction of N-[4-chloro-5-methyl-2-(R1-methylthio) benzenesulfonyl]cyanamide potassium salts with appropriate carboxylic acids. Some of them showed anticancer activity toward the human cancer cell lines MCF-7, HCT-116 and HeLa, with the growth percentages (GPs) in the range from 7% to 46%. Quantitative structure-activity relationship...
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Cooperativity of Halogen- and Chalcogen-Bonding Interactions in the Self-Assembly of 4‑Iodoethynyl- and 4,7-Bis(iodoethynyl)benzo-2,1,3-chalcogenadiazoles: Crystal Structures, Hirshfeld Surface Analyses, and Crystal Lattice Energy Calculations
PublicationSeveral new 4-iodoethynyl- and 4,7-bis- (iodoethynyl)benzo-2,1,3-chalcogenadiazoles were prepared, and a comprehensive analysis of the most prominent secondary bonding interactions responsible for the crystal self-assembly was performed using X-ray diffraction. The presence of both the iodoethynyl and chalcogenadiazole moieties allows an evaluation of the preference of these molecules to aggregate through either chalcogen- or halogen-bonding...
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Fabrication, structural and electrical properties of Sr(V,Nb)O 3-δ perovskite materials
PublicationThe SrV1-xNbxO3-δ materials with different niobium content in perovskite B-sublattice were prepared by a solid-state reaction process. The microstructure and phase compositions of obtained samples were analyzed by the X-ray diffraction technique (XRD) and scanning electron microscopy (SEM). The electrical conductivity of samples was measured by a DC 4-wire method in range of 100–600 °C in different gas conditions. The oxidation...
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Polarisation effects in low-energy positron–molecule scattering
PublicationThe UK molecular R-matrix method has been adapted to treat positron collisions from polyatomic targets. A simple empirical enhancement factor which corrects for the underestimation of electron–positron polarisation and correlation effects in the calculations performed with the static-plus-polarization model at low scattering energies is presented. Application of this model to positron scattering from carbon dioxide at energies...
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Determination of Failure Causes of a Steam Turbine Casing
PublicationThe paper presents results of research and failure analysis undertaken to determine failure causes of a steam turbine casing. After 130,000 hours of service the crack in a outer shell of the turbine casing was found. The inner shell of the casing was made of cast steel grade G21CrMoV5-7, and the outer shell of grade G20CrMo4-5. Following research were performed in order to determine causes of the casing failure: chemical analysis;...
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Superconductivity in Ternary Mg4Pd7As6
PublicationThe synthesis and characterization of a new compound Mg4Pd7As6, which is found to be a superconductor with Tc = 5.45 K is reported. Powder X-ray diffraction confirms the U4Re7Si6 structure (space group Im-3m, no. 229) with the lattice parameter a = 8.2572(1) Å. Magnetization, specific heat, and electrical resistivity measurements indicate that it is a moderate-coupling ( = 0.72) type-II superconductor. The electronic and phonon...
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Electrochemical oxidation of sulphamerazine at boron-doped diamond electrodes: Influence of boron concentration
PublicationThe boron-doped diamond (BDD) electrodes with different boron concentrations have been tested as electrode material for sulphamerazine (SRM) oxidation in water solution. An investigation of the electrode morphology and molecular structure was carried out using high resolution scanning electron microscopy (SEM) and Raman spectroscopy. Electrochemical results showed clearly that the kinetics and efficiency of SRM oxidation were dependent...
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Theoretical study of highly-excited states of KRb molecule
PublicationSemi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a0. The diatomic molecule is treated as an effective two-electron system by using the large core pseudopotentials and core polarization potentials. All calculations are performed by using the nonrelativistic CASSCF/MRCI method with accurate basis...
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Superconductivity in the niobium-rich compound Nb5Se4
PublicationThe niobium rich selenide compound Nb5Se4 was synthesized at ambient pressure by high-temperature solid–state reaction in a sealed Ta tube. Resistivity and heat capacity measurements reveal that this compound is superconducting, with a Tc = 1.85K. The electronic contribution to the specific heat γ and the Debye temperature are found to be 18.1 mJmol−1K−2 and 298 K respectively. The calculated electron-phonon coupling constant λep...
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The decay of quantum correlations between quantum dot spin qubits and the characteristics of its magnetic-field dependence
PublicationWe address the question of the role of quantum correlations beyond entanglement in the context of quantum magnetometry. We study the evolution of the rescaled variant of the geometric quantum discord of two electron-spin qubits interacting with an environment of nuclear spins via the hyperfine interaction. We have found that quantum correlations display a strong magnetic-field sensitivity which can be utilized for decoherence-driven...
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Microstructure and Dielectric Properties of Barium-vanadate Glasses
PublicationThe ac and dc conductivity in barium-vanadate glasses was investigated as a function of temperature and frequency with the use of impedance spectroscopy. The topography and microstructure of glasses were investigated by the means of X-ray diffraction (XRD) and scanning electron microscopy (SEM) methods. The XRD results show that all samples are amorphous but microscopy investigation reveals that glasses with greater amount of V2O5...
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Deposition and growth of thin ceramic films
Publication: Thin ceramic films play an important role in modern technology. One of the more utilized methods of deposition of ceramic films is spin coating. In this paper we investigate optimal deposition parameters for LaNi0.6Fe0.4O3−δ thin layers spin coated from a polymeric precursor. The quality of the obtained layers is checked using scanning electron microscopy. Additionally, we investigate the growth of grains in ceramic films annealed at...
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Wideband Modeling of DC-DC Buck Converter with GaN Transistors
PublicationThe general wideband modeling method of the power converter is presented on the example of DC-DC buck converter with GaN High Electron Mobility Transistors (HEMT). The models of all basic and parasitic components are briefly described. The two methods of Printed Circuit Board (PCB) layout parameter extraction are presented. The results of simulation in Saber@Sketch simulation software and measurements are compared. Next, the model...
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Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes
PublicationWe present a series of amino- and aryl(diphosphino)boranes R2PB(R’’)PR’2, where R2P, R’2P = tBu2P, tBuPhP, Ph2P, Cy2P, and R’’ = iPr2N, Ph, which were obtained via the metathesis reaction of iPr2NBBr2 or PhBBr2 with selected lithium phosphides. The structures of isolated diphosphinoboranes were characterized in the solid state and in solution by means of X-ray diffraction and NMR spectroscopy, respectively. The utility of these...
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Photoactivity of decahedral TiO2 loaded with bimetallic nanoparticles: Degradation pathway of phenol-1- 13 C and hydroxyl radical formation
PublicationDecahedral TiO2decorated with bimetallic nanoparticles were synthesized via radiolysis and photode-position method. The effect of bimetallic surface composition (Ag Pt, Ag Au, Au Pd, Au Pt) as well asdeposition technique (simultaneous or sequential) on the photocatalytic activity in phenol degradationand efficiency of hydroxyl radicals generation under UV–vis light irradiation were investigated. Modifiedand pristine decahedral...
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Mechanisms of Damage to DNA Labeled with Electrophilic Nucleobases Induced by Ionizing or UV Radiation
PublicationHypoxia—a hallmark of solid tumors—makes hypoxic cells radioresistant. On the other hand, DNA, the main target of anticancer therapy, is not sensitive to the near UV photons and hydrated electrons, one of the major products of water radiolysis under hypoxic conditions. A possible way to overcome these obstacles to the efficient radio- and photodynamic therapy of cancer is to sensitize the cellular DNA to electrons and/or ultraviolet...
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Wire Arc Additive Manufactured Mild Steel and Austenitic Stainless Steel Components: Microstructure, Mechanical Properties and Residual Stresses
PublicationWire arc additive manufacturing (WAAM) is an additive manufacturing process based on the arc welding process in which wire is melted by an electric arc and deposited layer by layer. Due to the cost and rate benefits over powder-based additive manufacturing technologies and other alternative heat sources such as laser and electron beams, the process is currently receiving much attention in the industrial production sector. The gas...
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Successive cytotoxicity control by evolutionary surface decorated electronic push-pull green ZnCr-LDH nanostructures: Drug delivery enlargement for targeted breast cancer chemotherapy
PublicationThe reason for the increasing bioavailability and biocompatibility of the porous nanomaterials in the presence of different (bio)molecules is still unknown. The role of difference functional groups and their interactions with the potential bioavailability and biocompatibility is of great importance. To investigate the potential contribution of the electronic effects (especially on the surface of the porous nanomaterials) on their...
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Synthesis of bimetallic Co–Pt/cellulose nanocomposites for catalytic reduction of p-nitrophenol
PublicationIn this study, bimetallic nanoparticles (NPs) of Co–Pt anchored on cellulose nanofibers (CNFs) for catalytic applications were synthesized via a sonochemical approach. The electro-spinning technique was employed for the synthesis of CNFs from cellulose acetate. The thorough characterization of synthesised Co–Pt/CNF nanocomposites was performed with the help of scanning electron microscopy (SEM), Fourier transform infra-red (FT-IR)...
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Studies on Silver Ions Releasing Processes and Mechanical Properties of Surface-Modified Titanium Alloy Implants
PublicationDispersed silver nanoparticles (AgNPs) on the surface of titanium alloy (Ti6Al4V) and titanium alloy modified by titania nanotube layer (Ti6Al4V/TNT) substrates were produced by the chemical vapor deposition method (CVD) using a novel precursor of the formula [Ag5(O2CC2F5)5(H2O)3]. The structure and volatile properties of this compound were determined using single crystal X-ray diffractometry, variable temperature IR spectrophotometry...
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Electrochemically Obtained TiO2/CuxOy Nanotube Arrays Presenting a Photocatalytic Response in Processes of Pollutants Degradation and Bacteria Inactivation in Aqueous Phase
PublicationTiO2/CuxOy nanotube (NT) arrays were synthesized using the anodization method in the presence of ethylene glycol and different parameters applied. The presence, morphology, and chemical character of the obtained structures was characterized using a variety of methods—SEM (scanning electron microscopy), XPS (X-ray photoelectron spectroscopy), XRD (X-ray crystallography), PL (photoluminescence), and EDX (energy-dispersive X-ray spectroscopy)....
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The Effect of AgInS2, SnS, CuS2, Bi2S3 Quantum Dots on the Surface Properties and Photocatalytic Activity of QDs-Sensitized TiO2 Composite
PublicationThe eect of type (AgInS2, SnS, CuS2, Bi2S3) and amount (5, 10, 15 wt%) of quantum dots (QDs) on the surface properties and photocatalytic activity of QDs-sensitized TiO2 composite, was investigated. AgInS2, SnS, CuS2, Bi2S3 QDs were obtained by hot-injection, sonochemical, microwave, and hot-injection method, respectively. To characterize of as-prepared samples high-resolution transmission electron microscopy (HRTEM), scanning...
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Locust bean gum as green and water-soluble binder for LiFePO4 and Li4Ti5O12 electrodes
PublicationLocust Bean Gum (LBG, carob bean gum) was investigated as an environmentally friendly, natural, and water-soluble binder for cathode (LFP) and anode (LTO) in lithium-ion batteries (Li-ion). For the frst time, we show LBG as an electrode binder and compare to those of the most popular aqueous (CMC) and conventional (PVDF) binders. The electrodes were characterized using TGA/DSC, the galvanostatic charge–discharge cycle test, cyclic...
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Thermal dewetting as a method of surface modification of the gold thin films for surface plasmon resonance based sensor applications
PublicationHere, we report a quick and simple approach with low, optimized production costs to obtain surface plasmon resonance (SPR) based sensors fabricated through a time- and resource-effective method based on thermal dewetting of thin Au films. From the applicative point of view, the method of detection presented here should be easier to implement, since light transmission measurements seem to be much less challenging than light refractive...
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The luminescence study of Ga1.98–xAlxO3:0.02Cr3+ coumpounds.
Open Research DataA chemical and mechanical pressure-induced photoluminescence tuning method was developed through structural evolution and hydrostatic pressure involving phase transition. A series of Ga1.98−xAlxO3:0.02Cr3+ phosphors were synthesized by collaborators from National Taiwan University. Structural evolution reveals a crystal phase change with the incorporation...
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Borophene Chemical Vapar Depostion
Open Research DataThe presented dataset corresponds to a nickel boride-based bifunctional electrocatalyst for overall water splitting. Developing highly efficient and durable electrocatalysts is essential for advancing renewable energy solutions. In this study, a simple one-step chemical vapor deposition (CVD) method was employed to synthesize boron-containing derivatives...
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Images revealing the effect of local femtosecond laser ablation of conductive poly(lactic acid) 3D printed electrodes
Open Research DataThe dataset reveals the images of the femtosecond laser (FSL) ablation at the surface of commercially available carbon black-filled poly(lactic acid) 3D printed electrode. The process is used for the increase of the charge transfer of this electrode in electrochemical studies.
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The luminescence study of Ga2–x(Al0.68In0.32)xO3:Cr3+ coumpounds.
Open Research DataNear-infrared (NIR) phosphor-converted light-emitting diodes (pc-LEDs) are a highly efficient perspective NIR light source, with application hindered by a narrow emission band. In this work, we broaden the emission of a new series of NIR phosphors by controlling crystal structure disorder through cation cosubstitution. By substituting Ga3+ with (Al0.68In0.32)3+,...
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Research 1: Heterojunction of (P, S) co-doped g-C3N4 and 2D TiO2 for improved carbamazepine and acetaminophen photocatalytic degradation
Open Research DataThe first research article consisted on the synthesis of phosphorus and sulfur co-doped graphitic carbon nitride incorporated in 2D TiO2 structure for solar-driven degradation of emerging pollutants from the group of pharmaceuticals not susceptible to biodegradation. The hybrid photocatalysts with different loadings of (P, S)-doped g-C3N4 were characterized...
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XPS study of the YST ceramics
Open Research DataYttrium-doped strontium titanate was prepared via conventional solid-state reaction method from Y2O3 (Sigma Aldrich, 99,9%), TiO2 (Sigma Aldrich, 99%) and SrCO3 (Sigma Aldrich,98%). For comparision, two other techniques were used for synthesis: Pechini and wet methods. Both kind of samples were measured, after and before reduction process (in a hydrogen)....
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Chemical analysis of the Au-Ag nanoaloys
Open Research DataThe nanostructures of AuAg nanoalloys were prepared by sequential sputtering of gold and silver thin films. Single layer thickness was usually 2.8 nm were deosted by magnetron sputtering method in a Ar plasma. As deposited layers were annealed in Ar atmosphere at 550 degress for 15 minutes. For XPS measurements five samples were selected: pure gold...
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Why do G-quadruplexes dimerize through the 5’-ends? Driving forces for G4 DNA dimerization examined in atomic detail
PublicationG-quadruplexes (G4) are secondary structures formed by guanine-rich nucleic acid sequences and shown to exist in living cells where they participate in regulation of gene expression and chromosome maintenance. G-quadruplexes with solvent-exposed guanine tetrads show the tendency to associate together through cofacial stacking, which may be important for packaging of G4-forming sequences and allows for the design of higher-order...
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Molecular geometry and optical activity of N-nitroso-2,2,6,6-tetramethylpiperidines generated by spontaneous crystallization and inclusion complexation with optically active diols
PublicationTrzy N-nitrozo-2,2,6,6-tetrametylopiperydyny, których chiralność wynika z utrudnionej rotacji wokół wiązania N-N posiadającego częściowy charakter wiązania podwójnego poddano badaniom stereochemicznym i spektroskopowym. Badane związki tworzą kompleksy inkluzyjne z optycznie czynnymi gospodarzami - Taddolami, w których N-nitrozo-2,2,6,6-tetrametylopiperydyny przyjmują chiralną konformację co dowodzą ich widma CD wykonane w ciele...
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Dia- and paramagnetic contributions to magnetizabilities of relativistic hydrogenlike atoms in some low-lying discrete energy eigenstates
PublicationIn this paper we present tabulated data for relative diamagnetic and paramagentic contributions to the magnetizability ($\chi$) of the relativistic hydrogenlike atoms with a pointlike, motionless and spinless nucleus of charge $Ze$. Utilizing general analytical formulas for the diamagnetic ($\chi_{d}$) and paramagnetic ($\chi_{p}$) components of $\chi$, recently derived by us [P. Stefa{\'n}ska, 2020] with the aid of the Gordon...