Search results for: POLYESTERS, SOLID STATE NMR, DFT CALCULATIONS
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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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Polytypism and superconductivity in the NbS2 system
PublicationWe report on the phase formation and the superconducting properties in the NbS2 system. Specifically, we have performed a series of standardized solid-state syntheses in this system, which allow us to establish a comprehensive synthesis map for the formation of the two polytypes 2H-NbS2 and 3R-NbS2, respectively. We show that the identification of two polytypes by means of X-ray diffraction is not always unambiguous. Our physical...
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Ionophores in polymeric membranes for selective ion recognition:impedance studies
PublicationW pracy badano dwa typy elektrod: membranowe elektrody jonoselektywne (ISE) oraz elektrody nowego typu all-solid-state (AAS). Elektrody AAS zawierają przewodzącą warstwę polimerową na węglu szklistym lub platynie, na który nałożona jest membrana zawierająca jonofor. Do badań użyto dwa jonofory: p-tert-butylokaliks[4]aren-korona-4 (L1) selektywnie kompleksująca jony Na+ oraz kaliks[4]aren-korona-6 (L2) selektywnie kompleksująca...
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INFLUENCE OF BISMUTH CONTENT ON COMPLEX IMMITTANCE CHARACTERISTICS OF PRESSURELESS SINTERED BiNbO4 CERAMICS
PublicationGoal of the present research was to study immittance properties of BiNbO4 ceramics fabricated by the solid state reaction route followed by pressureless sintering. Four sets of samples were examined, namely the one fabricated from the stoichiometric mixture of oxides, viz. Bi2O3 and Nb2O5 as well as the ones with an excess of 3%, 5% and 10% by mole of Bi2O3. The immittance properties were studied by impedance spectroscopy. Measurements...
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Potentiometric taste sensor application for liquid product taste estimation
PublicationThe principles of taste sense and kinds of tastes (sweet, salty, sour, bitter, umami and fat) have been described. Food quality estimation by taste sense: organoleptic testing and sensory analysis has been presented. The principle of operation of potentiometric sensor composed of several Ion Selective Electrodes or All Solid State Electrodes with polymeric membranes and macromolecular chemical compounds sensitive to substances...
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Supramolecular Synthesis Based on a Combination of Se···N Secondary Bonding Interactions with Hydrogen and Halogen Bonds
PublicationExamination of the solid state structures of 2,1,3-benzoselenadiazole complexes with hydrogen or halogen bond donors has demonstrated that the 2,1,3-benzoselenadiazole molecules preferably form centrosymmetric dimers with use of [Se–N]2 supramolecular synthon, whereas the two remaining nitrogen atoms not involved in the [Se–N]2 supramolecular interactions can act as acceptors of hydrogen or halogen bonds. Cocrystallization of selenadiazoles...
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Reduction of the strontium titanate doped by Ytrium ceramics observed by X-ray photoemission spectroscopy method
Open Research DataYtrium-doped strontium titanate (YSTF) ceramics materials were manufactured by three various methods: 1) standard solid-state reaction method from Y2O3 (Sigma Aldrich, 99,9%), TiO2 (Sigma Aldrich, 99%) and SrCO3 (Sigma Aldrich,98%), 2) Pechini method, 3) wet method.
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Linear impedance of 50(2Bi2O3-V2O5)-50SrB4O7 glass-ceramic heat-treated at 613 K measured with impedance spectroscopy method at high temperature region
Open Research DataThe linear electrcial properties of 50(2Bi2O3-V2O5)-50SrB4O7 glass-ceramic heat-treated at 613 K was measured by impedance spectroscopy method.
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Linear impedance of 50(2Bi2O3-V2O5)-50SrB4O7 glass heat treated at 693 K measured with impedance spectroscopy method at low temperature region
Open Research DataThe linear electrcial properties of 50(2Bi2O3-V2O5)-50SrB4O7 glass heat treated at 693 K was measured by impedance spectroscopy method.
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Linear impedance of 50(2Bi2O3-V2O5)-50SrB4O7 glass heat treated two times measured with impedance spectroscopy method at low temperatures
Open Research DataThe linear electrcial properties of 50(2Bi2O3-V2O5)-50SrB4O7 glass heat treated two times was measured by impedance spectroscopy method.
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Linear impedance of 50(2Bi2O3-V2O5)-50SrB4O7 glass heat treated at 693 K measured with impedance spectroscopy method at high temperature region
Open Research DataThe linear electrcial properties of 50(2Bi2O3-V2O5)-50SrB4O7 glass heat treated at 693 K was measured by impedance spectroscopy method.
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Preparation of Well-Compatibilized PP/PC Blends and Foams Thereof
PublicationThe performance of polypropylene-poly(ethylene brassylate) block and graft copolymers and a polypropylene-polycaprolactone graft copolymer as compatibilizers for polypropylene-rich polypropylene/bisphenol A polycarbonate (PP/PC, 80/20 wt/wt) blends was elucidated. The copolymers were synthesized either by metal-catalyzed ring-opening polymerization or transesterification of a presynthesized polyester, initiated by hydroxyl-functionalized...
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PREDICTION OF SHIP MOTIONS IN IRREGULAR WAVES BASED ON RESPONSE AMPLITUDE OPERATORS EVALUATED EXPERIMENTALLY IN NOISE WAVES
PublicationThe most common methods for predicting ship roll motions in a specified sea state are direct measurements of motions in a representative irregular wave realisation (time domain) or calculations of motions from response amplitude operators (RAOs) in the frequency domain. The result of the first method is valid only for the tested sea state, whilst the second method is more flexible but less accurate. RAO-based predictions are calculated...
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Redox State Sensitive Spectroscopy of the Model Compound [(H-dcbpy)(2)Ru-II(NCS)(2)](2-) (dcbpy=2,2 '-Bipyridine-4,4 '-dicarboxylato)
PublicationThe charge transfer reaction mechanism in a ruthenium polypyridine model complex with isothiocyanato ligands, i.e., [(H-dcbpy)(2)Ru(NCS)(2)](2-) 2Bu(4)N(+) (Ru2H) (dcbpy = 2,2'-bipyridine-4,4'-dicarboxylato), has been investigated by combining UV-vis absorption, resonance Raman spectroscopy, and electrochemical methods. Understanding the photophysics of light-harvesting complexes of this class is an indispensable prerequisite to...
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Photocatalytic degradation and pollutant-oriented structure-activity analysis of carbamazepine, ibuprofen and acetaminophen over faceted TiO2
PublicationPhotocatalytic degradation of carbamazepine, ibuprofen, acetaminophen and phenol was studied in the presence of anatase photocatalyst, exposing three different crystal facets in the majority of {0 0 1}, {1 0 0} or {1 0 1}. It was found that octahedral anatase particles exposing {1 0 1} facets allow to achieve the best degradation and mineralization of all persistent organic pollutants. This confirms that the previous findings,...
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Direct determination of paraquat herbicide by square-wave voltammetry by two-step transfer mechanism at heterogeneous boron-doped carbon nanowall electrodes
PublicationBoron-doped carbon nanowalls (B:CNW) versus boron-doped diamond (BDD) materials were investigated for the effective electrochemical detection of highly toxic herbicide paraquat (PQ). Depending on the surface morphology and functional groups of BDD and B:CNWs, the electrochemical absorption and detection of the target analyte PQ revealed different detection mechanisms. The surface absorption mechanism was mainly observed for BDD,...
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Optical and photocatalytic properties of rare earth metal-modified ZnO quantum dots
PublicationA series of novel ZnO quantum dots modified with rare earth metals was successfully prepared by a simple sol-gel approach. The effects of types (Eu, Er, Tb, Yb, Ho, La) and amounts (from 0.09 to 0.45 mmol) of lanthanides on the optical properties, structural characterization and photocatalytic activity of ZnO/RE QDs were systematically investigated. The X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transform...
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Taurine as a water structure breaker and protein stabilizer
PublicationThe enhancing effect on the water structure has been confirmed for most of the osmolytes exhibiting both stabilizing and destabilizing properties in regard to proteins. The presented work concerns osmolytes, which should be classified as “structure breaking” solutes: taurine and N,N,N-trimethyltaurine (TMT). Here, we combine FTIR spectroscopy, DSC calorimetry and DFT calculations to gain an insight into the interactions between...
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Engineering boron and nitrogen codoped carbon nanoarchitectures to tailor molecularly imprinted polymers for PFOS determination
PublicationPer- and polyfluoroalkyl substances (PFAS) have gained significant attention as emerging contaminants due to their persistence, abundance, and adverse health effects. Consequently, the urgent need for ubiquitous and effective sensors capable of detecting and quantifying PFAS in complex environmental samples has become a priority. In this study, we present the development of an ultrasensitive molecularly imprinted polymer (MIP)...
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Wykorzystanie wiązań niekowalencyjnych do otrzymywania jedno- i dwuskładnikowych struktur supramolekularnych
PublicationPrzedstawiona rozprawa doktorska dotyczy badań nad wykorzystaniem oddziaływań międzycząsteczkowych do projektowania i syntezy uporządkowanych struktur krystalicznych, ze szczególnym uwzględnieniem wiązań halogenowych i chalkogenowych jako stosunkowo nowych i bardzo atrakcyjnych z punktu widzenia inżynierii kryształu. Praca podzielona jest na kilka części. Pierwsza z nich stanowi wstęp teoretyczny obejmujący opis, założenia oraz...
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Functionalization of Parylene During Its Chemical Vapor Deposition
PublicationTwo possible mechanisms for the reaction of four halogenated (metha)acrylate-based molecules with Parylene [poly (paraxylylene)] during its chemical vapor deposition were proposed. The chemical reactivity of acrylate double bond with the paraxylylene biradical was calculated for all four (metha)acrylate-based molecules. These calculations allowed the evaluation of the energetically favorable mechanism and indeed a direct correlation...
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The efficiency of turbomachinery in the zero-and three-dimensional approaches
PublicationEfficiency of turbomachinery is usually defined using an isentropic process. This approach provides a reliable reference point only when pressure and temperature measurements are available, e.g. at the casing inlet and outlet. In the case of a single stage internal efficiency determination the reference point is difficult. Computational fluid dynamics allows for an exact calculation of values of losses occurring in a turbine...
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Self-Association of Amphotericin B: Spontaneous Formation of Molecular Structures Responsible for the Toxic Side Effects of the Antibiotic
PublicationAmphotericin B (AmB) is a lifesaving antibiotic used to treat deep-seated mycotic infections. Both the pharmaceutical activity and highly toxic side effects of the drug rely on its interaction with biomembranes, which is governed by the molecular organization of AmB. In the present work we present detailed analysis of self-assembly of AmB molecules in different environments, interesting from the physiological standpoint, based...
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The luminescence study of Sr2TiO4:Sm3+ coumpounds.
Open Research DataA luminescent material based on the strontium orthotitanate (Sr2TiO4) matrix doped with 1% of a mole of samarium was obtained using the typical solid-state synthesis method under a neutral atmosphere of nitrogen. The sample was investigated using powder X-ray diffraction (XRD) and several luminescence techniques to study the phase composition, luminescence...
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Linear impedance as a function of A.C. voltage for 50(2Bi2O3-V2O5)-50SrB4O7 glass-ceramic heat-treated at 813 K measured with impedance spectroscopy method at high temperature region
Open Research DataThe linear electrcial properties as a function of A.C. voltage of 50(2Bi2O3-V2O5)-50SrB4O7 glass-ceramic heat treated at 813 K was measured by impedance spectroscopy method.
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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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Effects of laser pulse duration in two-photon vision threshold measurements
PublicationPulsed near-infrared (NIR) light sources can be successfully applied for both imaging and functional testing of the human eye, as published recently1. These two groups of applications have different requirements. For imaging applications, the most preferable is invisible scanning beam while efficiently visible stimulating beam is preferable for functional testing applications. The functional testing of human eye using NIR laser...
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High temperature proton conduction in LaSbO4
PublicationLanthanum orthoantimonate was synthesized using a solid‐state synthesis method. To enhance the possible protonic conductivity, samples with the addition of 1 mol% Ca in La‐site, were also prepared. The structure was studied by the means of X‐ray diffraction, which showed that both specimens were single phase. The materials crystallized in the space group P2 1 /n. Dilatometry revealed that material expands non‐linearly with the...
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Spectroscopic evaluation on pseudopolymorphs of sodium naproxen
PublicationThis paper demonstrates the assessment of vibrational spectroscopy methods such as middle infrared, near infrared and Raman spectroscopy (FTIR, FT-NIR, Raman) for the identification of pseudopolymorphic forms of a model active pharmaceutical ingredient (API) - sodium naproxen (NpxNa). NpxNa, in the form of three different pseudopolymorphs, was investigated by methods dedicated for solid state characterization: DSC (differential...
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Microwave-assisted synthesis of zinc derivatives of potato starch
PublicationZincatated potato starch was prepared in a solid-state, microwave-assisted reaction using generated in situ sodium tetrahydroxozincate [Na2Zn(OH)4]. For comparison, zincatation of starch was also carriedout on convectional heating. Depending on the irradiation conditions, the products of either mono- or crosslinking esterification were formed. Higher power applied at shorter exposition offered products ofmonoesterification, and...
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TASTE QUALITIES ESTIMATION BY TASTE SENSE AND ELECTROCHEMICAL SENSORS
PublicationThe principles of taste sense and kinds of tastes (sweet, salty, sour, bitter, umami and fat) have been described. Food quality estimation by taste sense: organoleptic testing and sensory analysis has been presented. The principle of operation of potentiom etric sensor composed of several Ion Selective Electrodes or All Solid State Electrodes with polymeric membranes and macromolecular chemical compounds sensitive to substances...
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Influence of processing conditions on crystal structure of BiNbO 4 ceramics
PublicationBismuth niobate (BiNbO4) has attracted attention as a low-fired ceramics with promising microwave application potential. It belongs to the bismutocolumbite oxides with similarly to scheelite-like stibiotantalite structure (SbTaO4) A3+B5+O4. Aim of the present research was to fabricate BiNbO4 ceramics by solid state reaction route from the mixture of simple oxides viz. Bi2O3, and Nb2O5, and study its phase composition as well as...
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Electrocatalytic gas sensor with reference layer
PublicationIn recent years electrochemical gas sensors based on solid state electrolytes have been intensively developed. They are easy to obtain, use and relative durable. Nasicon is one of the most promising materials, which have been used in construction of gas sensors. Most of these devices work in potentiometric or amperometric mode. However, some works are dedicated to sensors working in electrocatalytic mode. Principle of operation...
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Proton Conducting Ceramic Powder Synthesis by a Low Temperature Method
PublicationMolten salt synthesis (MSS) is a simple method for the preparation of ceramic powders with specific morphology. The main role of the molten salts is to increase the reaction rate and lower the reaction temperature. It occurs because of much higher mobility of reactants in the liquid medium than in the solid state. In this work the molten salt synthesis was applied to produce ceramic powders of La0995Ca0005NbO4 and BaCe09−xZrxY01O3....
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Concentration and sources of polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) in surface soil near a municipal solid waste (MSW) landfill
PublicationDue to a continuous demand of land for infrastructural and residential development there is a public concern about the condition of surface soil near municipal solid waste landfills. A total of 12 surface (0–20 cm) soil samples from a territory near a landfill were collected and the concentration of 16 PAHs and 7 PCB congeners were investigated in these samples. Limits of detection were in the range of 0.038–1.2 μg/kg for PAHs...
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Comparison of heat transfer characteristics in surface cooling with boiling microjets of water, ethanol and HFE7100
PublicationThe basis of microjet technology is to produce jets which impinge the surface at the stagnation point with a very high kinetic energy. Main objective of this paper was to investigate the physical phenomena occurring on solid surfaces upon impingement of the single microjet in case of three fluids, namely water, ethanol and HFE7100. Intense heat transfer in the impact zone of microjet has been examined and described with precise...
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Efficiency of linear and non-linear classifiers for gas identification from electrocatalytic gas sensor
PublicationElectrocatalytic gas sensors belong to the family of electrochemical solid state sensors. Their responses are acquired in the form of I-V plots as a result of application of cyclic voltammetry technique. In order to obtain information about the type of measured gas the multivariate data analysis and pattern classification techniques can be employed. However, there is a lack of information in literature about application of such...
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Principles and Developments of Solid-Phase Microextraction
PublicationSample preparation has been commonly considered a critical step of the analytical process. In this sense, remarkable efforts have been made to develop efficient sample preparation techniques which could overcome the limitations of conventional approaches. Since its inception in the early 1990’s, solid-phase microextraction (SPME) has become a widespread miniaturized sample preparation technique for extraction and preconcentration...
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Acid–Base Equilibrium and Self-Association in Relation to High Antitumor Activity of Selected Unsymmetrical Bisacridines Established by Extensive Chemometric Analysis
PublicationUnsymmetrical bisacridines (UAs) represent a novel class of anticancer agents previously synthesized by our group. Our recent studies have demonstrated their high antitumor potential against multiple cancer cell lines and human tumor xenografts in nude mice. At the cellular level, these compounds affected 3D cancer spheroid growth and their cellular uptake was selectively modulated by quantum dots. UAs were shown to undergo metabolic...
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Anisotropy and compaction gradient assessment on rammed earth specimens through sonic tomography approach
PublicationRammed earth is a traditional construction technique that has recently gained attention because of its benefits from an ecological perspective. The conservation of the existing valuable cultural heritage sites and the quality control of new constructions built with this material require the development and application of practical inspection techniques. This paper explores the application of sonic tests and sonic tomography as...
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Quenching effects in organic electroluminescence
PublicationWe examine various electronic processes that underlie the quenching of the emission from highly efficient phosphorescent and electrophosphorescent organic solid-state molecular systems. As an example, we study the luminescent efficiencies from the phosphorescent iridium (III) complex, fac tris (2-phenylpyridine) iridium [(Ir (ppy)3] doped into a diamine derivative doped polycarbonate hole-transporting matrix and in the form...
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Determinants of Directionality and Efficiency of the ATP Synthase Fo Motor at Atomic Resolution
PublicationFo subcomplex of ATP synthase is a membrane-embedded rotary motor that converts proton motive force into mechanical energy. Despite a rapid increase in the number of high-resolution structures, the mechanism of tight coupling between proton transport and motion of the rotary c-ring remains elusive. Here, using extensive all-atom free energy simulations, we show how the motor’s directionality naturally arises from the interplay...
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Examination of advanced isotropic constitutive laws under complex stress states in plain and reinforced concrete specimens
PublicationThe performance of advanced isotropic constitutive laws under complex stress states in plain and reinforced concrete specimens is investigated. Three different formulations are chosen: original Mazars model, Mazars mi model and model proposed by Pereira and coworkers. The degradation of the material in all formulations is described via a single variable, but a strain/stress state is taken into account via quite sophisticated relationships....
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Experimental tests of lintel hybrid beams
PublicationThe results of experimental tests of lintel hybrid beams made of air concrete and prestressed concrete were presented in paper. Blocks of air concrete was a protective element for the construction one. The length of hybrid beams was 3.0 m, while total height 27 cm. It was assumed that hybrid beams will work in the simply-supported scheme (with a 10 cm support) loaded uniformly over the entire length. The object of the tests were...
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The role of Herzberg-Teller effects on the resonance Raman spectrum of trans-porphycene investigated by time dependent density functional theory.
PublicationThe S1 excited state properties as well as the associated absorption and resonance Raman (RR) spectra of trans-porphycene are investigated by means of time dependent density functional theory calculations. The relative magnitude of the Franck-Condon (FC) contribution and of the Herzberg-Teller (HT) effects is evaluated for both the absorption and RR intensities. The accuracy of the calculated spectra is assessed by employing different...
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OPERATING CONDITIONS OF SLIDE BEARINGS OF MILLS USED IN KGHM POLSKA MIEDŹ S.A.
PublicationThe paper contains the results from a tec hnical analysis of the conditions of the operation of hydrodynamic bearings supporting the drums of ore processing mills at KGHM Polska Mied ź S.A. A theoretical analysis was performed on the grounds of onsite examination and measurem ents of principal dimensions of the bearings of interest. The computer simulation covered the characteristics of the oil film in the bearings...
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Magnetic-dipole-to-electric-quadrupole cross-susceptibilities for relativistic hydrogenlike atoms in some low-lying discrete energy eigenstates
PublicationIn this paper we present tabulated data for magnetic-dipole-to-electric-quadrupole cross-susceptibilities (χ_{M1→E2}) for Dirac one-electron atoms with a pointlike, spinless and motionless nucleus of charge Ze. Numerical values of this susceptibility for the hydrogen atom (Z = 1) and for hydrogenic ions with 2 \leqslant Z \leqslant 137 are computed from the general analytical formula, recently derived by us (Stefanska, 2016), valid...
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Corrosion Properties of Dissimilar AA6082/AA6060 Friction Stir Welded Butt Joints in Different NaCl Concentrations
PublicationA solid-state friction stir welding method which is increasingly used in the marine and shipbuilding industry, has been developed to produce welds with high mechanical properties. In seawater, the oxide layer of aluminium is attacked by Cl− ions resulting in its disruption and formation of pitting corrosion. It is particularly important to determine the electrochemical properties of the produced welds and to evaluate the efect...
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Interplay between Aryl···Perfluoroaryl and Hydrogen Bonding Interactions in Cocrystals of Pentafluorophenol with Molecules of Trigonal Symmetry
PublicationCocrystals of seven star-shaped triaryl compounds with pentafluorophenol (pfp) were prepared and structurally characterized by the single-crystal X-ray diffraction method. Cocrystallization of pfp with planar (or almost planar) compounds gave six 3:1 molecular complexes with well-defined layered structures. The layers are composed of alternating pfp3 trimers, linked by hydrogen bonding, and triaryl molecules held together in planes...
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Toward a unified model of mobile Business Intelligence (m-BI) acceptance and use
PublicationFactors affecting mobile business intelligence (m-BI) acceptance and use have become an increasingly important topic in practice due to the growing complexity of organizations, and their underlying information systems (IS). Since, one can notice considerable interest in m-BI, however, to the best of our knowledge few studies (if any) aim to synthesize the existing body of knowledge with regards to the factors affecting m-BI acceptance...