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Search results for: phase transition
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A large family of filled skutterudites stabilized by electron count
PublicationThe Zintl concept is important in solid-state chemistry to explain how some compounds that combine electropositive and main group elements can be stable at formulas that at their simplest level do not make any sense. The electronegative elements in such compounds form a polyatomic electron-accepting molecule inside the solid, a ‘polyanion’, that fills its available energy states with electrons from the electropositive elements...
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Influence of a lipid bilayer on the conformational behavior of amphotericin B derivatives - A molecular dynamics study.
PublicationAmphotericin B (AmB) is an effective but very toxic antifungal antibiotic. In our laboratory a series of AmB derivatives of improved selectivity of action was synthesized and tested. To understand molecular basis of this improvement, comparative conformational studies of amphotericin B and its two more selectivederivatives were carried out in an aqueous solution and in a lipid membrane. These molecular simulation studies revealed...
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Support Product Development Framework by Means of Set of Experience Knowledge Structure (SOEKS) and Decisional DNA
PublicationIn this paper, we propose a framework to support product development activi-ties by utilizing Set of Experience Knowledge Structure (SOEKS) and Decisional DNA (DDNA). This idea will provide a new direction to researchers working on product development, especially designers and manufacturers. They will be working on the same platform and this will be reducing their communication gap. Once the final idea is perceived about product...
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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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Entrepreneurship Today: Selected Aspects
PublicationAt its very beginning, entrepreneurship was a purely economic notion. However, this growing interest in entrepreneurship-related problems prompted other sciences to participate in explaining the entrepreneurship phenomenon. Nowadays, entrepreneurship is analyzed through multiple theoretical lenses of economics, management, psychology, sociology – just to name a few. Therefore, it would be difficult to find a notion that could be...
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Bio-Based Polyurethane Composites and Hybrid Composites Containing a New Type of Bio-Polyol and Addition of Natural and Synthetic Fibers
PublicationThis article describes how new bio-based polyol during the liquefaction process can be obtained. Selected polyol was tested in the production of polyurethane resins. Moreover, this research describes the process of manufacturing polyurethane materials and the impact of two different types of fibers—synthetic and natural (glass and sisal fibers)—on the properties of composites. The best properties were achieved at a reaction temperature...
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Chitin nanowhiskers from shrimp shell waste as green filler in acrylonitrile-butadiene rubber: Processing and performance properties
PublicationIn this work, chitin nanowhiskers with high crystallinity index were obtained from shrimp shells waste using acid hydrolysis method and then comprehensively characterized. Subsequently, the impact of chitin nanowhisker content on processing and performance of acrylonitrile-butadiene rubber based nanocomposites was evaluated. The results showed that the addition of chitin nanowhiskers increased tensile strength and tear strength...
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Elastic polyurethane foams containing graphene nanoplatelets
PublicationElastic polyurethane foams were produced from two-component polyurethane systems (SPECFLEX NE 113 izocyjanian/NR 816 poliol system—SPC and Elastic MBMarket company system POLYOL ET MB 500/ISO ET MB 800—ET) by using a one-step method. The foams were a graphene nanoplatelets (GNP) in the amount ranging from 1 to 2 wt.%. The effect of the nanofiller on polyurethane matrix was determined by analyzing the chemical structure, static...
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Superconductivity in a new intermetallic structure type based on endohedral Ta@Ir7Ge4 clusters
PublicationWe report the observation of superconductivity at a temperature near 3.5 K for the previously unreported compound TaIr2Ge2. In addition to being a superconductor, this material displays a new crystal structure type that contains endohedral clusters, as determined by single-crystal x-ray diffraction structure refinement; the structure is more complex than those of the commonly observed tetragonal 122 intermetallic phases. Despite...
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Influence of water and mineral oil on the leaks in satellite motor commutation unit clearances
PublicationThe article describes the flow rates of mineral oil and water flowing, as working media, through the commutation unit of a hydraulic satellite motor. It is demonstrated that geometrical dimensions of commutation unit clearances change as a function of the machine shaft rotation angle. Methods for measuring the rate of this flow and the pressure in the working chamber are presented. The results of pressure measurements in the working...
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Analysis of compressive forces in CFGFT cylindrical pillars and their coatings using laboratory tests and metric spaces
PublicationThe article discusses compressive forces tests in composite-concrete pillars with the use of laboratory active experiment including the factors and properties of materials which have a significant impact on the test results and their repeatability. A polymer composite based on glass fiber reinforced resin with different fiber beam angles (20, 55 and 85) was used as a buffer/coat of the pole. Due to the problems with direct comparison...
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Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds
PublicationPolycrystalline samples of four intermetallic compounds: MV2Al20 (M=Sc, Y, La, and Lu) were synthesized using an arc-melting technique. The crystal structures were analyzed by means of powder x-ray diffraction and Rietveld analysis, and the physical properties were studied by means of heat capacity, electrical resistivity, and magnetic susceptibility measurements down to 0.4 K. For ScV2Al20, LuV2Al20, and YV2Al20, superconductivity...
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The basics of design and experimental tests of the commutation unit of a hydraulic satellite motor
Publicationhe article presents an analytical method to design the commutation unit in a hydraulic satellite motor. It is shown that the size of the holes feeding the working chambers and their location on the plates closing those chambers depends on the geometrical dimensions of the working mechanism. The overlap in the commutation unit depends on the rotational speed range. It is demonstrated that the geometrical dimensions of the commutation...
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Dissociation and fragmentation of furan by electron impact
PublicationDissociation and fragmentation processes that produce electronically excited atomic and molecular fragments, following electron impact excitation, have been studied in furan. The optical excitation technique has been employed over the electron incident energy range 15-95 eV. Formation of excited hydrogen atoms H(n) in the n = 4-10 states has been detected by observation of the Balmer series. The diatomic CH fragments are formed...
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Large Hall and Nernst responses from thermally induced spin chirality in a spin-trimer ferromagnet
PublicationThe long-range order of noncoplanar magnetic textures with scalar spin chirality (SSC) can couple to conduction electrons to produce an additional (termed geometrical or topological) Hall effect. One such example is the Hall effect in the skyrmion lattice state with quantized SSC. An alternative route to attain a finite SSC is via the spin canting caused by thermal fluctuations in the vicinity of the ferromagnetic ordering transition....
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Convenient synthesis of 3-phosphono-β-lactams through the cyclization ofN-alkenyl-phosphonoacetamides
PublicationOxidative cyclization through the treatment by the transition metals is convenientsynthetic tool with a great number of applications. In the most cases the result is the formationof C-C bond between generated radical and unsaturated part of the same or another molecule.As it was presented by Trogolo it is also suitable way to obtain 4-membered heterocyclicβ-lactamic ring[1]. In this communicate we want to present new application...
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Study of ZrS3-based field-effect transistors toward the understanding of the mechanisms of light-enhanced gas sensing by transition metal trichalcogenides
PublicationExtending knowledge of the properties of low-dimensional van der Waals materials, including their reactivity to the ambiance, is important for developing innovative electronic and optoelectronic devices. Transition metal trichalcogenides with tunable optical band gaps and anisotropic conductivity are an emerging class among low- dimensional structures with the possibility of gate tunability and photoreactivity. These properties...
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Structural and luminescence properties of B2O3-Bi2O3-AlF3 glass doped with Eu3+, Tb3+ and Tm3+ ions
PublicationThe B2O3-Bi2O3-AlF3 glass system doped with Eu3+, Tb3+, Tm3+ and triply doped with Eu3+/Tm3+/Tb3+ ions in different molar ratios were successfully synthesized. Glass transition and crystallization temperatures were examined by Differential Scanning Calorimetry (DSC) measurements. X-ray Diffraction (XRD) confirmed the amorphous character of the samples. Fourier Transform Infrared Spectroscopy (FTIR) revealed that the glass matrix...
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Evaluation of structural and electrical properties of multicomponent spinel oxide thin films deposited via spray pyrolysis technique
PublicationThis work reports the preparation of (Mn,Co,Fe,Ni,Cr)3O4 high-entropy spinel oxide in the form of a ~ 500 nm thin film utilising a facile spray pyrolysis technique. The structural and electrical properties of the layers were characterised after exposure to temperatures in the range of 400–900 ◦C. The as-deposited layers were amorphous, and crystallised upon heat treatment at 500 ◦C. Microstructural analyses proved a homogeneous...
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Objectivity in the non-Markovian spin-boson model
PublicationObjectivity constitutes one of the main features of the macroscopic classical world. An important aspect of the quantum-to-classical transition issue is to explain how such a property arises from the microscopic quantum theory. Recently, within the framework of open quantum systems, there has been proposed such a mechanism in terms of the so-called spectrum broadcast structures. These are multipartite quantum states of the system...
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The effect of nitrogen on the structure and thermal properties of beryllium-containing Na-(Li)-Si-O-N glasses
PublicationTwo oxynitride glass series with the composition of 35Na2O-5BeO-(60-x)SiO2-xSi3N4 and 9Li2O- 27Na2O-5BeO-(59-x)SiO2-xSi3N4, were prepared. The glasses' topography and structure were studied by Scanning Electron Microscopy and Raman spectroscopy. The composition was analyzed by Inductively Coupled Plasma Optical Emission Spectrometer, SEM-EDS and nitrogen and oxygen elemental analyzer. Na-(Li)-Be-silicate glasses were found to contain...
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Electric and magnetic properties of Lanthanum Barium Cobaltite
PublicationThe cubic Ba0.5La0.5CoO3‐δ was synthesized using solid state reaction. The structural properties were determined by the simultaneous refinement of Synchrotron Powder X‐ray Diffraction and Neutron Powder Diffraction data. Iodometric titration was used to examine the oxygen stoichiometry and average cobalt oxidation state. Low‐temperature magnetic studies show soft ferromagnetic character of fully oxidized material, with θP = 198(3)...
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Synthesis, thermal, structural and electrical properties of vanadium-doped lithium-manganese-borate glass and nanocomposites
PublicationA glassy sample with a nominal formula LiMn1−3x/2VxBO3 (where x = 0.05) was synthesised using the melt-quenching method. Material was characterised by differential thermal analysis (DTA), X-ray diffactometry (XRD) at room temperature and as a function of temperature (HT-XRD), X-ray photoelectron spectroscopy (XPS), impedance spectroscopy (IS) and scanning electron microscopy (SEM). Dependences of glass transition and crystallisation...
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Formation of Protein Networks between Mucins: Molecular Dynamics Study Based on the Interaction Energy of the System
PublicationMolecular dynamics simulations have been performed for a model aqueous solution of mucin. As mucin is a central part of lubricin, a key component of synovial fluid, we investigate its ability to form cross-linked networks. Such network formation could be of major importance for the viscoelastic properties of the soft-matter system and crucial for understanding the lubrication mechanism in articular cartilage. Thus,the inter- and...
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The influence of Be addition on the structure and thermal properties of alkali-silicate glasses
PublicationBe-Na-(Li)-Si oxide glasses containing up to 15 mol% of BeO were prepared. Their structure was characterized by X-ray powder diffraction and Raman as well as infrared spectroscopic techniques, while their chemical compositions were examined by Inductively Coupled Plasma Optical Emission Spectrometry. All materials were found to be amorphous and contain Al contaminations from minor dissolution of the alumina crucibles. The results...
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Performance properties of rigid polyurethane-polyisocyanurate/brewers’ spent grain foamed composites as function of isocyanate index
PublicationIn the presented work, rigid polyurethane-polyisocyanurate (PUR-PIR) foams filled with brewers’ spent grain (BSG) were prepared. The influence of the isocyanate index (II) on its performance was investigated. Foams obtained with higher isocyanate index required a higher amount of hydrofluorocarbon physical blowing agent to provide the same apparent density of material. An increase of isocyanate index resulted in a slight decrease...
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Growth, Crystal Structure and Magnetic Characterization of Zn-Stabilized CePtIn4
PublicationThe growth and characterization of CePtIn4, stabilized by 10% Zn substitution for In, is reported. The new material is orthorhombic, space group Cmcm (No. 63), with lattice parameters a = 4.51751(4) Å, b = 16.7570(2) Å, and c = 7.36682(8) Å, and the refined crystal composition has 10% of Zn substituted for In, i.e., the crystals are CePt(In0.9Zn0.1)4. Crystals were grown using a self-flux method: only growths containing Zn yielded...
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Proton-Electron Hole Interactions in Sr(Ti,Fe)O3−δ Mixed-Conducting Perovskites
PublicationOxides in which total electrical conductivity is determined by the partial conductivities of three types of charge carriers i.e. holes/ electrons, oxygen ions, and protons are key components of well-functioning proton ceramic fuel cells. Apart from electrochemical properties also easily modified microstructure is an important feature of the electrodes. In the paper, a group of SrTi1−xFexO3−δ (STF, x = 0.2–0.8) perovskites prepared...
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Characterization of Highly Filled Glass Fiber/Carbon Fiber Polyurethane Composites with the Addition of Bio-Polyol Obtained through Biomass Liquefaction
PublicationThis work aims to investigate the process of obtaining highly filled glass and carbon fiber composites. Composites were manufactured using previously obtained cellulose derived polyol, polymeric methylene diphenyl diisocyanate (pMDI). As a catalyst, dibutyltin dilaurate 95% and Dabco® 33-LV were used. It was found that the addition of carbon and glass fibers into the polymer matrix causes an increase in the mechanical properties...
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The interaction of the pulsed laser irradiation with titania nanotubes - Theoretical studies on the thermal effect
PublicationThis paper reports temperature dispersion simulations of titania nanotubes irradiated by the 355 nm, pulsed, nanosecond laser. The modelling with the use of Finite Elements Method concerns titania nanotubes of the length and the wall thickness in the range of 0.5–2 μm and 5–20 nm, respectively. The uniqueness of the morphology was preserved by ensuring the wall thickness variation along the height of the tube, which was determined...
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Dissociative Electron Attachment to 5-Iodo-4-thio-2′-deoxyuridine: A Potential Radiosensitizer of Hypoxic Cells
PublicationIn the search for effective radiosensitizers for tumor cells, halogenated uracils have attracted more attention due to their large cross section for dissociation upon the attachment of low-energy electrons. In this study, we investigated dissociative electron attachment (DEA) to 5-iodo-4-thio-2'-deoxyuridine, a potential radiosensitizer using a crossed electron-molecule beam experiment coupled with quadrupole mass spectrometry....
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The valance state of vanadium-key factor in the flexibility of potassium vanadates structure as cathode materials in Li-ion batteries
PublicationPotassium hexavanadate (K2V6O16·nH2O) nanobelts have been synthesized by the LPE-IonEx method, which is dedicated to synthesis of transition metal oxide bronzes with controlled morphology and structure. The electrochemical performance of K2V6O16·nH2O as a cathode material for lithium-ion batteries has been evaluated. The KVO nanobelts demonstrated a high discharge capacity of 260 mAh g−1, and long-term cyclic stability up to 100...
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Poverty and social exclusion in the transition Baltic States during the implementation of the European Union Lisbon Strategy - comparative analysis
PublicationThe problem of poverty and social exclusion in the Baltic States generates serious social, economic and political consequences. The scope of the analysis includes primarily the scale and structure of poverty and social exclusion in the Baltic Region in the years 2004-2010 in the context of the Lisbon Strategy of the European Union. The results show that during the transition and implementation of the Lisbon Strategy, the problem...
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Luminescence recognition material as an INHIBIT logic gate in presence of Pb2+ and Cu2+ ions in aqueous solutions
PublicationA recognition material consisting of silica xerogel with amino-modified surface selectively recognizes Pb2+ and Cu2+ (but only in presence of Pb2+ ions) in aqueous solutions of other metal ions. The analytical action of the material is based on a significant change in luminescence emission spectra of the material after chemisorption of Pb2+ ions. In the presence of Pb2+ in octahedral coordination environment, a new broad and strong...
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Centrally Pivoted Tilting Pad Thrust Bearing with Carbon-Based Coated Collar—Experimental Results of Low- and Medium-Speed Operation
PublicationExperimental results of the research on a tilting pad thrust bearing with symmetrical pad support in the conditions of high loads and low speeds are presented in the paper. As described in the literature review, experimental results of tilting pad bearings at low speed/high load regime and transient conditions are rare. Unusual material selection - steel pad against a DLC-type coating on the collar was utilized. Such material combination...
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Experience-Based Decisional DNA (DDNA) to Support Product Development
PublicationKnowledge and experience are important requirements for product development. The aim of this paper is to propose a systematic approach for industrial product development. This approach uses smart knowledge management system comprising of Set of Experience Knowledge Structure and Decisional DNA (DDNA) along with Virtual Engineering Tools (Virtual engineering object, Virtual engineering process, and Virtual engineering factory)....
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Dietary antioxidants as a source of hydrogen peroxide
PublicationStudies of 54 antioxidants revealed that 27 of them, mainly polyphenols, generated hydrogen peroxide (H2O2) when added to Dulbecco’s modified Eagle’s medium (DMEM), other media used for culture of mammalian and yeast cells and phosphate-buffered saline. The most active antioxidants were: propyl gallate (PG), (−)-epigallocatechin gallate (EGCG) and quercetin (Q). Chelex treatment and iron chelators decreased H2O2 generation suggesting...
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Potential energy curves, transition and permanent dipole moments of KRb
PublicationWe present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...
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Investigation of the structural and thermal properties of aluminum-rich Ca–Al–Si–O–N glasses
PublicationIn this paper, we investigate the structure and thermal properties of aluminum-rich transparent Ca–Al–Si–O–N glasses. The obtained glasses were prepared by a traditional melt-quenching technique at 1650 °C using AlN as the nitrogen source. The obtained glasses have a nAl/nSi>1 and contain up to 17 eq.% of N. The structure of the glasses was characterized by X-ray diffraction, X-ray photoelectron spectroscopy, infrared, and Raman...
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A constitutive law for concrete with smooth transition from continuous into discontinuous cracks’ description
PublicationPaper presents a constitutive model for concrete that combines a continuous and discontinuous crack’s description to simulate the concrete under tensile dominated loads. In a continuum regime, two different constitutive laws were used. First, a plasticity model with the Rankine failure criterion and an associated flow rule was used. Second, a constitutive law based on isotropic damage mechanics was formulated. Both model alternatives...
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Analysis of Validation and Simplification of Timber-Frame Structure Design Stage with PU-Foam Insulation
PublicationThe transition from experimental studies to the realm of numerical simulations is often necessary for further studies, but very difficult at the same time. This is especially the case for extended seismic analysis and earthquake-resistant design. This paper describes an approach to moving from the experimental testing of an elementary part of a wood-frame building structure to a numerical model, with the use of a commercial engineering...
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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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Mapping the Structural and Dynamic Determinants of pH-Sensitive Heparin Binding to Granulocyte Macrophage Colony Stimulating Factor
PublicationGranulocyte macrophage colony stimulating factor (GMCSF) is an immunomodulatory cytokine that is harnessed as a therapeutic. GMCSF is known to interact with other clinically important molecules, such as heparin, suggesting that endogenous and administered GMCSF has the potential to modulate orthogonal treatment outcomes. Thus, molecular level characterization of GMCSF and its interactions with biologically active compounds is critical...
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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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Structure analysis and thermal degradation characteristics of bio-based poly(propylene succinate)s obtained by using different catalyst amounts
PublicationLinear bio-based polyester polyols were prepared with the use of succinic acid and 1.3-propanediol (both with natural origin). As a catalyst was used tetraisopropyl orthotitanate (TPT). In order to determine the effect of various catalyst content on the thermal degradation characteristics, three different TPT amounts, as a 1.3-propanediol equivalent, were used, namely 0.1 mass% (PPS-0.1), 0.2 mass% (PPS-0.2) and 0.25 mass% (PPS-0.25)....
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Cast polyurethanes obtained from reactive recovered polyol intermediates via crude glycerine decomposition process
PublicationIn this work, the possibility of applying intermediates from polyurethane waste recycling in polyurethane synthesis was presented. Polyurethanes were synthesised in a two-step method using a mixture of petrochemical polyol and glycerolysate, used as a reactive component, 4,4-diphenylmethane diisocyanate (MDI) and 1,4-buthanediol (BD). Glycerolysates were produced during decomposition of polyurethane elastomer by crude glycerine...
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Styrene-Butadiene Rubber/Modified Ground Tire Rubber Blends Co-Vulcanization: Effect of Accelerator Type
PublicationGround tire rubber was thermo-mechanically modified with using a co-rotating twin screw extruder. Modification of GTR was conducted in autothermal conditions. Styrene-butadiene rubber and modified ground tire rubber blends were prepared via two-roll milling. Obtained compounds were cured with conventional system (sulfur/vulcanization accelerator ratio was 2:1). During this research three commonly vulcanization accelerators (MBT,...
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THE ASSESSMENT OF THE SITUATION IN BANKING SECTORS IN SELECTED EUROPEAN COUNTRIES
PublicationThe economic significance of the banking sector is well recognized in the theory and practice. In the literature there are discussed various topics concerning banking: banking sectors stability and its determinants, as well as influence of the banking sector on other sectors of the economy. Moreover the situation in the banking sector has been studied from different perspectives: its stability, profitability, efficiency, competition,...
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Novel chalcone-derived pyrazoles as potential therapeutic agents for the treatment of non-small cell lung cancer
PublicationLung cancer is considered to account for approximately one-fifth of all malignant tumor-related deaths worldwide and is therefore one of the most lethal malignancies. Pyrazole scaffold possesses a wide range of biological and pharmacological activities, which play important roles in medicinal chemistry. The present study reports the synthesis and in vitro biological characterization of nine pyrazoles derived from chalcones as potential...
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Tunable emission and energy transfer of B2O3–Bi2O3–AlF3 glass system doped with Eu3+/Dy3+
PublicationThe structure and luminescent properties of the B2O3–Bi2O–AlF3 glass system doped with Eu3+/Dy3+ ions in different molar ratios were studied. A series of glasses were synthesized by the conventional melt quenching technique. Glass transition and crystallization temperatures were examined by Differential Thermal Analysis (DTA) measurements. The amorphous character of the prepared samples was confirmed by the X-ray diffraction (XRD)...