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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublikacjaThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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Continuum contact model for friction between graphene sheets that accounts for surface anisotropy and curvature
PublikacjaUnderstanding the interaction mechanics between graphene layers and co-axial carbon nanotubes (CNTs) is essential for modeling graphene and CNT-based nanoelectromechanical systems. This work proposes a new continuum contact model to study interlayer interactions between curved graphene sheets. The continuum model is calibrated and validated using molecular dynamics (MD) simulations. These are carried out employing the reactive...
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In-depth characterization of icosahedral ordering in liquid copper
PublikacjaThe presence of icosahedral ordering in liquid copper at temperatures close to the melting point is now well-established both experimentally and through computer simulation. However, a more elaborate analysis of local icosahedral and icosahedron-like structures, together with a system for classifying such structures based on some measure of "icosahedrity", has so far been conspicuously absent in the literature. Similarly, the dynamics...
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Thermal Instability of Choline Chloride-Based Deep Eutectic Solvents and Its Influence on Their Toxicity─Important Limitations of DESs as Sustainable Materials
PublikacjaDeep eutectic solvents (DESs) have become a hot topic in many branches of science due to their remarkable properties. They have been studied in a wide variety of applications. In particular, choline chloride (ChCl)-based DESs are one of the most commonly used representatives of these fluids. Nevertheless, in order to apply DESs in some fields, it is essential to guarantee their stability, reusability, and biocompatibility. In this...
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DC and AC Conductivity, Biosolubility and Thermal Properties of Mg-Doped Na2O–CaO–P2O5 Glasses
PublikacjaBioactive glasses have recently been extensively used to replace, regenerate, and repair hard tissues in the human body because of their ability to bond with living tissue. In this work, the effects of replacing Na2O with MgO on the electrical, biosolubility, and thermal properties of the target glass 10Na2O–60P2O5–30CaO (in mol%) were investigated. The electrical properties of the glasses were studied with the impedance spectroscopy...
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The Reactivity of Phosphanylphosphinidene Complexes of Transition Metals Toward Terminal Dihaloalkanes
PublikacjaThe reactivities of phosphanylphosphinidene complexes [(DippN)2W(Cl)(η2-P−PtBu2)]− (1), [(pTol3P)2Pt(η2- P=PtBu2)] (2), and [(dppe)Pt(η2-P=PtBu2)] (3) toward dihaloalkanes and methyl iodide were investigated. The reactions of the anionic tungsten complex (1) with stochiometric Br(CH2)nBr (n = 3, 4, 6) led to the formation of neutral complexes with a tBu2PP(CH2)3Br ligand or neutral dinuclear complexes with unusual tetradentate...
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Opracowanie dogodnej metody tworzenia wiązań S-C o hybrydyzacji atomu węgla sp oraz sp2
PublikacjaBadania przeprowadzone w Katedrze Chemii Organicznej Wydziału Chemicznego Politechniki Gdańskiej na przestrzeni ostatnich kilku lat, pokazały wszechstronność pochodnych kwasu neopentylidenofosforoditiowego. Dotychczasowe wyniki badań doprowadziły mnie do opracowania nowych strategii syntetycznych, umożliwiających otrzymywanie związków zawierających wiązanie C-S o hybrydyzacji atomu węgla sp oraz sp2. Analizując wyniki badań opracowałam...
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Interval incidence coloring of bipartite graphs
PublikacjaIn this paper we study the problem of interval incidence coloring of bipartite graphs. We show the upper bound for interval incidence coloring number (χii) for bipartite graphs χii≤2Δ, and we prove that χii=2Δ holds for regular bipartite graphs. We solve this problem for subcubic bipartite graphs, i.e. we fully characterize the subcubic graphs that admit 4, 5 or 6 coloring, and we construct a linear time exact algorithm for subcubic...
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DETERMINATION OF SP3 FRACTION IN ta-C COATING USING XPS AND RAMAN SPECTROSCOPY
PublikacjaThe paper presents results of studies on the structure of tetrahedral amorphous carbon films (ta-C) with a thickness in the range from 20 to 280 nm, deposited using pulsed vacuum arc technique with an electromagnetic Venetian blind plasma filter. The results of the phase structure analysis, obtained using visible Raman spectroscopy and UV Raman spectroscopy methods, showed a strong dependence of the results on the presence, on...
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Elimination of dominated partial schedules in scheduling deteriorating jobs
Publikacjaw artykule rozważany jest problem szeregowania zadań uwarunkowanych czasowo, w notacji trójpolowej opisywany przez 1 | pi = a + bisi | ?ci. wprowadzona jest koncepcja zdominowanych częściowych harmonogramów oraz przedstawiony jest niewielomianowy algorytm dla problemu, który bazuje na eliminacji zdominowanych częściowych harmonogramów. przedstawione są wyniki eksperymentów obliczeniowych, porównujących zaprezentowany algorytm oraz...
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Simple and low-cost wireless voting system
PublikacjaThis paper presents the concept of a simple and low-cost wireless voting system working in the 868 MHz frequency band. The described system is dedicated to general shareholders assemblies but it can be easily adapted for other applications. The main advantage is its simplicity and mobility as it consists solely of three components - voting modules, a base station and a PC application from which the whole system is mamaged. This...
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IN VIVO DEGRADATION OF BIOMATERIALS
PublikacjaThe material designed to be introduced into the human tissue should be biocompatible and biofunctional. Unless it is so, the body may respond to the implant in different ways. An inflammation reaction may appear such as: parting of items of the implant surface resulting from fraction or pressure. The condition of the surface has an important influence on the usefulness of the implant. The required values depend on the implant function...
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Analysis and Comparison of Safety of Children and Adult Passenger in Car Based on Crash Tests Results
PublikacjaMost important features of the child seat were presented. There was made analysis of selected dynamic loads acting on mannequins heads during a collision. Comparison of loads acting on the kid in a child seat and the other passengers in a car is presented. In analysis of the results particular attention has been paid on the children's secure in a car. The phenomena of collision child's occipital bone with seat backrest was described....
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Structure of EstA esterase from psychrotrophic Pseudoalteromonas sp. 643A covalently inhibited by monoethylphosphonate.
PublikacjaThe crystal structure of the esterase EstA from the cold-adapted bacteriumPseudoalteromonas sp. 643A was determined in a covalently inhibited form at aresolution of 1.35 A˚. The enzyme has a typical SGNH hydrolase structureconsisting of a single domain containing a five-stranded beta-sheet, with threehelices at the convex side and two helices at the concave side of the sheet, and isornamented with a couple of very short helices...
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Simple and low-cost wireless voting system
PublikacjaThis paper presents the concept of a simple and low-cost wireless voting system working on the 868 MHz frequency band. Described system is dedicated to general shareholders assemblies but it can be easily adapted for other applications. The main advantage is its simplicity and mobility as it consists solely of three components - voting modules, base station and a PC application from which the whole system is managed. This architecture...
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On the Usefulness of the Generalised Additive Model for Mean Path Loss Estimation in Body Area Networks
PublikacjaIn this article, the usefulness of the Generalised Additive Model for mean path loss estimation in Body Area Networks is investigated. The research concerns a narrow-band indoor off-body network operating at 2.45 GHz, being based on measurements performed with four different users. The mean path loss is modelled as a sum of four components that depend on path length, antenna orientation angle, absolute difference between transmitting...
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Uniform sampling in constrained domains for low-cost surrogate modeling of antenna input characteristics
PublikacjaIn this letter, a design of experiments technique that permits uniform sampling in constrained domains is proposed. The discussed method is applied to generate training data for construction of fast replacement models (surrogates) of antenna input characteristics. The modeling process is design-oriented with the surrogate domain spanned by a set of reference designs optimized with respect to the performance figures and/or operating...
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STUDY OF CuO AND V2O5 EFFECT ON IR SPECTRA OF POLYCRYSTALLINE BISMUTH NIOBATE
PublikacjaBismuth niobate (BiNbO4) ceramics were fabricated by mixed oxide method and sintered by presureless sintering method. BiNbO4 ceramics doped with V2O5 additive in amount 0.125 wt%, 0.250 wt% and 1 wt% of was sintered at T = 910°C whereas BiNbO4 ceramics doped with 2 wt% of CuO additive was sintered at T = 890°C and T = 910°C. It was found that V2O5 additive improved morphology of the ceramic samples. However, the chemical composition...
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Characterization of a single-stranded DNA-binding-like Protein from Nanoarchaeum equitans - a nucleic acid binding protein with broad substrate specificity
PublikacjaBackground SSB (single-stranded DNA-binding) proteins play an essential role in all living cells and viruses, as they are involved in processes connected with ssDNA metabolism. There has recently been an increasing interest in SSBs, since they can be applied in molecular biology techniques and analytical methods. Nanoarchaeum equitans, the only known representative of Archaea phylum Nanoarchaeota, is a hyperthermophilic, nanosized,...
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How to meet when you forget: log-space rendezvous in arbitrary graphs
PublikacjaTwo identical (anonymous) mobile agents start from arbitrary nodes in an a priori unknown graph and move synchronously from node to node with the goal of meeting. This rendezvous problem has been thoroughly studied, both for anonymous and for labeled agents, along with another basic task, that of exploring graphs by mobile agents. The rendezvous problem is known to be not easier than graph exploration. A well-known recent result...
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Tribo-Environment Dependent Chemical Modification of Sliding Interfaces in Ultrananocrystalline Diamond Nanowall Film: A Correlation with Friction and Wear
PublikacjaTribological properties of ultrananocrystalline diamond nanowall (UNCD NW) films were investigated quantitatively in three different and controlled tribo-environmental conditions, proposing the passivation and graphitization mechanisms. However, these mechanisms are rather complicated and possibly can be understood in well-controlled tribological conditions. It was shown that the friction and wear of these films were high in highPage 1...
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The geometry of free-standing titania nanotubes as a critical factor controlling their optical and photoelectrochemical performance
PublikacjaTitanium dioxide nanotubes are regarded as one of the most important functional materials and due to their unique electronic properties, chemical stability and photocorrosion resistance, they find applications in, for example, highly efficient photocatalysis or perovskite solar cells. Nevertheless, modification of TiO2 nanotubes is required to overcome their main drawback, i.e. large energy bandgap (>3.2 eV) limiting their ability...
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Automated Reduced Model Order Selection
PublikacjaThis letter proposes to automate generation of reduced-order models used for accelerated -parameter computation by applying a posteriori model error estimators. So far,a posteriori error estimators were used in Reduced Basis Method (RBM) and Proper Orthogonal Decomposition (POD) to select frequency points at which basis vectors are generated. This letter shows how a posteriori error estimators can be applied to automatically select...
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Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate
PublikacjaThe high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5−10.7 eV (275.5−116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections...
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Luminescent properties of Ln3+ doped tellurite glasses containing AlF3
PublikacjaThe low-phonon energy tellurite glasses TeO2-BaO-Bi2O3 and TeO2-BaO-Bi2O3-AlF3 triply doped with Eu3+, Tb3+, Tm3+ ions in two different molar ratios were synthesized using melt-quenching technique. Their structure and luminescence properties were widely investigated by X-ray Diffraction (XRD), Differential Scanning Calorimetry (DSC), Fourier Transform Infrared Spectroscopy (FTIR) and Photoluminescence Spectroscopy (PL). The luminescence...
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The analytical design method of railway route’s main directions intersection area
PublikacjaThe paper presents a design method related to railway track sections situated in a bend. In the method advantage is taken of an analytical form of description by using appropriate mathematical formulae. This may becomeparticularly usefulwhen the investigations are based on the data obtained from mobile satellite measurements. In the paper attention is concentrated on an universal approach creating an opportunity to diversify the...
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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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Web-based GIS as a tool for supporting marine research
PublikacjaZbieranie danych morskich podczas badań hydroakustycznych jest złożonym zadaniem, na które składają się nie tylko pomiary, ale także analiza, weryfikacja i interpretacja informacji uzyskanych przez różne czujniki. Automatyczna integracja, wizualizacja i przetwarzanie zgromadzonych danych pozwala na bardziej precyzyjne rozpoznanie badanych zjawisk. W pracy przedstawiono dedykowany sieciowy system syntezy i rozpowszechniania danych...
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On the necessity of experimental verification of numerical results in biomedical applications
PublikacjaPorous structures made of metal or biopolymers with a structure similar in shape and mechanical properties to human bone can be easily produced by stereolitography techniques, e.g. selective laser melting (SLM). Numerical techniques, like finite element method (FEM) have great potential in testing new, even the most sophisticated designs, according to their mechanical properties, i.e. strength or stiffness. However, due to different...
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Throughput-Coverage Characteristics for Soft and Partial Frequency Reuse in the LTE Downlink
PublikacjaThe paper presents results of simulation and evaluation of throughput-coverage characteristics for the OFDMA-based LTE network with Soft Frequency Reuse or Partial Frequency Reuse. Firstly, simulation results of throughput characteristics for a single user connection are presented, which allow the evaluation of the stability and availability of bit rate achieved in different areas of a cell. Secondly, the capacity characteristics...
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Coatings in arthroplasty [online]
PublikacjaThe modern coatings used in arthroplasty for long term implants are reviewed. The phosphate coatingsare the most popular technique to improve the bone-implant interfacial strength and promote theosseointegration. The plasma spraying, electrophoretic precipitation, powder metallurgy, ion beamsputtering, high velocity oxy-fuel (HVOF) combustion spraying, sol-gel technique, biomimeticdeposition are mostly used to obtain the phosphate,...
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A simple test for quantum channel capacity
PublikacjaBased on state and channel isomorphism we point out that semidefiniteprogramming can be used as a quick test for nonzero one-way quantum channelcapacity. This can be achieved by searching for symmetric extensions of statesisomorphic to a given quantum channel. With this method we provide examplesof quantum channels that can lead to high entanglement transmission but stillhave zero one-way capacity, in particular, regions of symmetric...
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Automatic sound source localization in disturbing conditions using acoustic vector sensors
PublikacjaA concept, practical realization and applications of a passive acoustic radar to automatic localization and tracking of sound sources in disturbing conditions were presented in the paper. The device consists of the new kind of multichannel miniature sound intensity sensors and a group of digital signal processing algorithms. The sensitivity of the realized acoustic radar was examined in free sound field. Several kinds of sound...
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Experimental study on static and dynamic properties of polymer mass
PublikacjaA new method of repairing damaged structures by filling the cracks with a specially prepared polymer mass has been recently proposed. This new and innovative technique, known as the Flexible Joint Method (FJM), is mainly dedicated to masonries and historical objects, where minimum intervention is permitted. The flexible joint bonds the disrupted elements and ensures further safe exploitation of a damaged structure. The aim of the...
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Statistically efficient smoothing algorithm for time-varying frequency estimation
PublikacjaThe problem of extraction/elimination of a nonstationary sinusoidal signal from noisy measurements is considered. This problem is usually solved using adaptive notch filtering (ANF) algorithms. It is shown that the accuracy of frequency estimates can be significantly increased if the results obtained from ANF are backward-time filtered by an appropriately designed lowpass filter. The resulting adaptive notch smoothing (ANS) algorithm...
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Employing a biofeedback method based on hemispheric synchronization in effective learning
PublikacjaIn this paper an approach to build a brain computer-based hemispheric synchronization system is presented. The concept utilizes the wireless EEG signal registration and acquisition as well as advanced pre-processing methods. The influence of various filtration techniques of EOG artifacts on brain state recognition is examined. The emphasis is put on brain state recognition using band pass filtration for separation of individual...
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Experimental examination of an elastomeric polymer
PublikacjaA new method of repairing damaged structures by filling the cracks with a specially prepared elastomeric polymer mass has been recently proposed. This new and innovative technique, known as the Flexible Joint Method (FJM), is mainly dedicated to masonries and historical objects, where minimum intervention is permitted. The flexible joint bonds the disrupted elements and ensures further safe exploitation of a damaged structure....
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Genome-wide DNA methylation profiling of the regenerative MRL/MpJ mouse and two normal strains
PublikacjaAims We aimed to identify the pivotal differences in the DNA methylation profiles between the regeneration capable MRL/MpJ mouse and reference mouse strains. Materials and Methods Global DNA methylation profiling was performed in ear pinnae, bone marrow, spleen, liver, heart from uninjured adult females of the MRL/MpJ and C57BL/6J and BALB/c. Results and conclusion A number of differentially methylated regions distinguishing between...
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Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations
PublikacjaThe high-resolution vacuum ultraviolet photoabsorption spectrum of isobutyl acetate, C6H12O2, is presented here and was measured over the energy range 4.3–10.8 eV (290–115 nm). Valence and Rydberg transitions with their associated vibronic series have been observed in the photoabsorption spectrum and are assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. The measured...
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Influence of configurations of the beds on contaminations removal in hybrid constructed wetlands.
PublikacjaThree hybrid constructed wetlands in configuration HF-VF-HF in Poland and one with another configuration VF-HF-Pond in Gremany were analysed. These hybrid constructed wetlands provide the second stage biological treatment. They are located in Pommerania region, in Sarbsk, Wiklino and Wieszyno, and their capacities are 29.7, 18.6 and 24.5 m3/day, respectively. The analysed system in Germany in Waizenfeld (Gemeinde Pommelsbrunn,...
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Isolation Number versus Domination Number of Trees
PublikacjaIf G=(VG,EG) is a graph of order n, we call S⊆VG an isolating set if the graph induced by VG−NG[S] contains no edges. The minimum cardinality of an isolating set of G is called the isolation number of G, and it is denoted by ι(G). It is known that ι(G)≤n3 and the bound is sharp. A subset S⊆VG is called dominating in G if NG[S]=VG. The minimum cardinality of a dominating set of G is the domination number, and it is denoted by γ(G)....
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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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Bacteriophages as Factories for Eu2O3 Nanoparticle Synthesis
PublikacjaThe use of phage display to identify peptides with an ability to bind and synthesize Eu2O3 nanoparticles is demonstrated in this report. This is the first report of modified phages specifically binding a lanthanide. The peptides exposed on virions revealed very strong binding to Eu2O3 nanoparticles and the ability to catalyze Eu2O3 nanoparticles’ formation from Eu(OH)3 and Eu(NO3)3 solutions. The luminescence emission spectrum...
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AMCA to TAMRA long range resonance energy transfer on a flexible peptide
PublikacjaFörster resonance energy transfer between 7-amino-4-methyl-3-coumarinylacetic acid, (AMCA, donor) and 5- carboxytetramethylrhodamine, (TAMRA, acceptor) bound to Lys(AMCA)-Gly-Pro-Arg-Ser-Leu-Ser-Gly-Lys (TAMRA)-NH2 peptide is demonstrated by various spectroscopic techniques in glycerol at room temperature. In particular, nonexponential character of fluorescence intensity decay evidences the distance distribution between the donor...
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Stripe order and magnetic anisotropy in the S=1 antiferromagnet BaMoP2O8
PublikacjaMagnetic behavior of yavapaiite-type BaMoP2O8 with the spatially anisotropic triangular arrangement of the S=1Mo4+ ions is explored using thermodynamic measurements, neutron diffraction, and density-functional band-structure calculations. A broad maximum in the magnetic susceptibility around 46 K is followed by the stripe antiferromagnetic order with the propagation vector k=(12,12,12) formed below TN≃21 K. This stripe phase is...
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Three-objective antenna optimization by means of kriging surrogates and domain segmentation
PublikacjaIn this paper, an optimization framework for multi-objective design of antenna structures is discussed which exploits data-driven surrogates, a multi-objective evolutionary algorithm, response correction techniques for design refinement, as well as generalized domain segmentation. The last mechanism is introduced to constrain the design space region subjected to sampling, which permits reduction of the number of training data samples...
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Soft – Partial Frequency Reuse Method for LTE-A
PublikacjaIn the paper a novel SPFR frequency reuse method is proposed which can be used for improvement of physical resources utilization efficiency in LTE-A. The proposed method combines both SFR and PFR giving the possibility of more flexible use of frequency band in different regions of a cell. First, a short study on the problem of frequency reuse in cells is discussed including bibliography overview....
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Relativistic two-dimensional hydrogen-like atom in a weak magnetic field
PublikacjaA two-dimensional (2D) hydrogen-like atom with a relativistic Dirac electron, placed in a weak, static, uniform magnetic field perpendicular to the atomic plane, is considered. Closed forms of the first- and second-order Zeeman corrections to energy levels are calculated analytically, within the framework of the Rayleigh–Schrödinger perturbation theory, for an arbitrary electronic bound state. The second-order calculations are...
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2-Coloring number revisited
Publikacja2-Coloring number is a parameter, which is often used in the literature to bound the game chromatic number and other related parameters. However, this parameter has not been precisely studied before. In this paper we aim to fill this gap. In particular we show that the approximation of the game chromatic number by the 2-coloring number can be very poor for many graphs. Additionally we prove that the 2-coloring number may grow...
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Antimony substituted lanthanum orthoniobate proton conductor – structure and electronic properties.
PublikacjaX‐ray and neutron diffraction have been utilized to analyze the crystalline and electronic structure of lanthanum orthoniobate substituted by antimony. Using X‐ray absorption spectroscopy and photoelectron spectroscopy, changes in the electronic structure of the material upon substitution have been analyzed. The structural transition temperature between fergusonite and scheelite phases for 30 mol% antimony substitution was found...