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Search results for: CORE-EXCITED STATES
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Usefulness of Keystroke Dynamics Features in User Authentication and Emotion Recognition
PublicationThe study presented in the article focuses on keystroke dynamics analysis applied to recognize emotional states and to authenticate users. An overview of some studies and applications in these areas is presented. Then, an experiment is described, i.e. the way of collecting data, extracting features, training classifiers and finding out the most appropriate feature subsets. The results show that it is difficult to indicate a universal...
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Enhanced trap-assisted recombination in organic semiconductors
PublicationAn analytical model to describe the interaction of excitons and charge transfer states with deep traps is formulated for the case of molecular materials. Here, we have considered the influence of a trap-assisted recombination on this phenomenon. The final expression for the effective recombination rate has been derived from the Shockley–Read–Hall theory and kinetic equations which characterize different photophysical processes....
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Effect of electron count and chemical complexity in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor
PublicationHigh-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered body-centered cubic (BCC) Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor appears to display properties of both simple crystalline intermetallics and amorphous materials; e.g., it has a well-defined superconducting transition along with an exceptional robustness against disorder....
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The supramolecular organization of self-assembling chlorosomal bacteriochlorophyll c, d, or e mimics
PublicationBacteriochlorophylls (BChls) c, d, and e are the main light-harvesting pigments of green photosynthetic bacteria that self-assemble into nanostructures within the chlorosomes forming the most efficient antennas of photosynthetic organisms. All previous models of the chlorosomal antennae, which are quite controversially discussed because no single crystals could be grown so far from these organelles, involve a strong hydrogen-bonding...
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Torsional elasticity and energetics of F1-ATPase
PublicationFoF1-ATPase is a rotary motor protein synthesizing ATP from ADP driven by a cross-membrane proton gradient. The proton flow through the membrane-embedded Fo generates the rotary torque that drives the rotation of the asymmetric shaft of F1. Mechanical energy of the rotating shaft is used by the F1 catalytic subunit to synthesize ATP. It was suggested that elastic power transmission with transient storage of energy in some compliant...
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Quantum communication complexity advantage implies violation of a Bell inequality
PublicationWe obtain a general connection between a quantum advantage in communication complexity and non-locality. We show that given any protocol offering a (sufficiently large) quantum advantage in communication complexity, there exists a way of obtaining measurement statistics which violate some Bell inequality. Our main tool is port-based teleportation. If the gap between quantum and classical communication complexity can grow arbitrarily...
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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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Crystal structures of the DsbG disulfide isomerase reveal an unstable disulfide
PublicationDsb proteins control the formation and rearrangement of disulfide bonds during the folding of secreted and membrane proteins in bacteria. DsbG, a member of this family, has disulfide bond isomerase and chaperone activity. Here, we present two crystal structures of DsbG at 1.7- and 2.0-Angstrom resolution that are meant to represent the reduced and oxidized forms, respectively. The oxidized structure, however, reveals a mixture...
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Population dynamics of Baltic herring since the Viking Age revealed by ancient DNA and genomics
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Lessons from application of the UNRES force field to predictions of structures of CASP10 targets
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A method for optimizing potential-energy functions by a hierarchical design of the potential-energy landscape: Application to the UNRES force field
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Recent improvements in prediction of protein structure by global optimization of a potential energy function
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Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements
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Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: Assessment in two blind tests
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Conformation-family Monte Carlo: A new method for crystal structure prediction
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mRNA adenosine methylase (MTA) deposits m 6 A on pri-miRNAs to modulate miRNA biogenesis in Arabidopsis thaliana
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How acidic amino acid residues facilitate DNA target site selection
PublicationDespite the negative charge of the DNA backbone, acidic residues (Asp/Glu) commonly participate in the base readout, with a strong preference for cytosine. In fact, in the solved DNA/protein structures, cytosine is recognized almost exclusively by Asp/Glu through a direct hydrogen bond, while at the same time, adenine, regardless of its amino group, shows no propensity for Asp/Glu. Here, we analyzed the contribution of Asp/Glu...
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Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle
PublicationF1-ATPase is a motor protein that couples the rotation of its rotary γ subunit with ATP synthesis or hydrolysis. Single-molecule experiments indicate that nucleotide binding and release events occur almost simultaneously during the synthesis cycle, allowing the energy gain due to spontaneous binding of ADP to one catalytic β subunit to be directly harnessed for driving the release of ATP from another rather than being dissipated...
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Technical diagnostics and monitoring of traction current collectors
PublicationNew evaluation methods of the technical condition of rolling stock current collectors are proposed in this paper. The method of automatic measurement of the pantograph static force characteristic, realized when the vehicle runs through the test section of the track with especially prepared overhead line height distribution, has been practically implemented by the Polish Railways. The method of testing the slipper spring suspension...
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Spatial characterization of H 2: CH 4 dissociation level in microwave ECR plasma source by fibre-optic OES
PublicationSpatially resolved optical emission spectroscopy (SR-OES) was used to investigate microwave activated H2/Ar/CH4 plasma under conditions of the electron cyclotron resonance (ECR). The chemistry and composition of the gas phase were studied using self-designed fibre-optic system with echelle type spectrometer during CVD deposition of polycrystalline diamond. One-dimensional intensity profiles of the main species were collected along...
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Guided ultrasonic waves for detection of debonding in bars partially embedded in grout
PublicationThis paper deals with theoretical, numerical and experimental investigations of guided wave propagation in multilayered cylindrical bars with pre-existing debonding. The research focuses on a complex description of the nature of the wave phenomena occurring in a debonded specimen with a special emphasis on the influence of the location of damage on the wave conversion and diffraction. Experimental non-destructive and destructive...
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Microfluidic SIW-Based Tunable Self-Diplexing Antenna for Sub-6 GHz Band Applications
PublicationThis work introduces a novel frequency tunable self-diplexing antenna (SDA) design based on substrate integrated waveguide (SIW) technology. A modified A-shaped slot is employed on the cavity’s top plane, which is excited by two independent 50 Ω microstrip feed lines to operate at each resonant frequency. The frequency flexibility of the proposed antenna allows for fine-tuning at each resonance frequency. The frequency flexibility...
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Shielded HMSIW-Based Self-Triplexing Antenna With High Isolation for WiFi/WLAN/ISM Band
PublicationThis article presents a novel design of a miniaturized self-triplexing antenna (STA) based on the shielded half-mode substrate integrated waveguide (S-HMSIW) for WiFi/WLAN/ISM-band applications. The S-HMSIW is constructed by assembling one row of vias and an open slot at the open-ended side of the conventional HMSIW. This configuration increases the quality factor and minimizes unwanted radiation loss, which allows for achieving...
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Electron impact iozization of CCl4 and SF6 embedded in superfluid helium droplets
PublicationElectron impact ionization of helium nano-droplets containing several 104 He atoms and doped with CCl4 or SF6 molecules is studied with high-mass resolution. The mass spectra show significant clustering of CCl4 molecules, less so for SF6 under our experimental conditions. Positive ion efficiency curves as a function of electron energy indicate complete immersion of the molecules inside the helium droplets in both cases. For CCl4...
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Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2
PublicationThe single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb- (PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-ray diffraction shows that Rb3Yb(PO4)2 exhibits [Yb(PO4)]∞ layers, with the Yb in an ordered plane of equilateral triangles. One phosphate group oxygen that is not a near neighbor of the magnetic Yb displays positional disorder. The...
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Vibration-Based Investigation of a Historic Bell Tower to Understand the Occurrence of Damage
PublicationABSTRACT The paper presents a survey of the historic Arch-cathedral bell tower in Vilnius induced by the appearance of cracks in the structure after a new bell system installation. An attempt is undertaken to identify the reason for the crack occurrence and to check a possible crack influence on global structural behaviour. The research is based on dynamic measurements made in the tower during ambient vibrations and during vibrations...
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Revisiting Toroidal Dipolar Moment in Planar Metamaterial
PublicationThis article revisits the electric, magnetic, and toroidal dipolar moments in the metamaterial structure and presents the flatland design for generating a toroidal dipolar response for the electromagnetic plane wave at normal incidence. Based on the numerical analysis of the surface current, the electric field, the magnetic field, and the quantitative analysis of scattered power supported by the electromagnetic multipole theory,...
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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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About definition of modes and magnetosonic heating in a plasma’s flow: Especial cases of perpendicular and nearly perpendicular wave vector and magnetic field
PublicationDynamics of hydrodynamic perturbations in a plasma depend strongly on an angle between the wave vector and equilibrium straight magnetic field. The case of perpendicular propagation is especial. There are only two (fast) magnetosonic modes since two (slow) ones degenerate into the stationary one with zero speed of propagation. This demands individual definition of wave modes by the links of hydrodynamic relations. These links are...
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ZINTEGROWANE ZARZĄDZANIE STREFĄ PRZYBRZEŻNĄ ORAZ URBANISTYKA – PROJEKT NOWYCH SPECJALNOŚCI NA KIERUNKU GOSPODARKA PRZESTRZENNA NA POLITECHNICE GDAŃSKIEJ
PublicationNa studiach II stopnia na kierunku gospodarka przestrzenna na Wydziale Architektury Politechniki Gdańskiej w 2017 r. otwierane są dwie specjalności: urbanistyka i zintegrowane zarządzanie strefą przybrzeżną. Trzon programu studiów dla obu specjalności jest wspólny i oparty na dotychczasowych standardach kształcenia na tym kierunku. Specjalność zintegrowane zarządzanie strefą przybrzeżną jest odpowiedzią na konieczność wprowadzenia...
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Crystal and electronic structures of Ni(II) silanethiolates containing flexible diamine ligands
PublicationFive nickel(II) complexes containing aliphatic diamines and tri-tert-butoxysilanethiolate ligand have been synthesized for the purpose of studying their structural, spectral (IR, UV–Vis, HF EPR) and thermal properties. Complexes (1)–(5) have been prepared in high yield by reactions of [Ni{SSi(OtBu)3}2(NH3)(H2O)] with 1.3-propanediamine (L1), 1,6-hexanediamine (L2), or 1,7-heptanediamine (L3). The X-ray structures were determined...
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NEW EXPERIENCES IN DIKE CONSTRUCTION WITH SOIL-ASH COMPOSITESAND FINE-GRAINED DREDGED MATERIALS
PublicationThe supporting structure inside a coastal dike is often made of dredged non-uniform sand with good compaction proper-ties. Due to the shortage of natural construction material for both coastal and river dikes and the surplus of different processed mate-rials, new experiments were made with sand-ash mixtures and fine-grained dredged materials to replace both dike core and dikecover materials resulting in economical, environmentally...
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Magnetic field mapping along a NV-rich nanodiamond-doped fiber
PublicationIntegration of NV−-rich diamond with optical fibers enables guiding quantum information on the spin state of the NV− color center. Diamond-functionalized optical fiber sensors have been demonstrated with impressive sub-nanotesla magnetic field sensitivities over localized magnetic field sources, but their potential for distributed sensing remains unexplored. The volumetric incorporation of diamonds into the optical fiber core allows...
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Generation of large finite-element matrices on multiple graphics processors
PublicationThis paper presents techniques for generating very large finite-element matrices on a multicore workstation equipped with several graphics processing units (GPUs). To overcome the low memory size limitation of the GPUs, and at the same time to accelerate the generation process, we propose to generate the large sparse linear systems arising in finite-element analysis in an iterative manner on several GPUs and to use the graphics...
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Open-Source Coprocessor for Integer Multiple Precision Arithmetic
PublicationThis paper presents an open-source digital circuit of the coprocessor for an integer multiple-precision arithmetic (MPA). The purpose of this coprocessor is to support a central processing unit (CPU) by offloading computations requiring integer precision higher than 32/64 bits. The coprocessor is developed using the very high speed integrated circuit hardware description language (VHDL) as an intellectual property (IP) core. Therefore,...
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Migration of container terminals as their natural process of evolution: Case study of Gdańsk and Gdynia ports
PublicationThe paper proposes a theoretical model of container terminals and container port development, based on the life cycle theory, threshold theory and catastrophe theory, and in references to Kuznets' swings (interpreted as waves of infrastructural investments), and Kondratiev long economic waves. The aim of this model is to explain the development process of a container terminal and a port within one technological generation, as...
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Determinants of the incidence of non-academic staff in European and US HEIs
PublicationIn this article, we contribute to the scant literature covering quantitative studies on the determinants of the non-academic staff incidence in higher education institutions by analysing how the proportion of non-academic staff is related to key features such as size, prestige, year of foundation and financial structure of universities. We apply nonlinear regression analysis to compare HEIs across Europe and the USA, taking into...
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Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study
PublicationWe report the first series of homoleptic phosphido iron complexes synthesized by treating either the β-diketiminato complex [(Dippnacnac)FeCl2Li(dme)2] (Dippnacnac = HC[(CMe)N(C6H3-2,6-iPr2)]2) or [FeBr2(thf )2] with an excess of phosphides R2PLi (R = tBu, tBuPh, Cy, iPr). Reaction outcomes depend strongly on the bulkiness of the phosphido ligands. The use of tBu2PLi precursor led to an anionic diiron complex 1 encompassing a planar...
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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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Substrate characterization in a electrochemically derived Manganium-Cobaltium thin films
Open Research DataManganium-Cobaltium thin films were electrochemically deposited on a Ni foams subsrates in a one-step process at −1.1 V vs. Ag/AgCl in an aqueous solution of differently concentrated Mn(NO3)2·4H2O and Co(NO3)2·6H2O with the deposition time limited by charges of 60, 120, and 200 mC at 25 °C. The concentration ratios of Mn(NO3)2·4H2O to Co(NO3)2·6H2O...
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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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Sol-gel derived lithium titanate powders measured by XPS method
Open Research DataFor sol-gel synthesis lithium acetate dehydrate from Alfa Aesar GmbH &Co and titanium (IV) butoxide 97% from Aldrich were used as reagents. Copper (II) nitrate from Alfa Aesar was used as a source of Cu dopant. It was added in the proper weight to get an x index equal 0, 0.1 and 0.2. In the first step lithium acetate and copper nitrate were dissolved...
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Number of registered BEV and PHEV vehicles in 2011-2016 (in thousands)
Open Research DataThere are three main types of vehicles that are generally regarded as an electric car. These include:
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A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
PublicationElectron and positron scattering processes in the gas-phase are analysed for uracil and pyrimidine molecules using a multichannel quantum approach at energies close to threshold. The special effects on the scattering dynamics induced by the large dipole moments in both molecules on the spatial features of the continuum leptonic wavefunctions are here linked to the possible bound states of the Rydberg-like molecular anions or ‘positroned’...
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Emotion Recognition and Its Applications
PublicationThe paper proposes a set of research scenarios to be applied in four domains: software engineering, website customization, education and gaming. The goal of applying the scenarios is to assess the possibility of using emotion recognition methods in these areas. It also points out the problems of defining sets of emotions to be recognized in different applications, representing the defined emotional states, gathering the data and...
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Absence of superconductivity in fluorine-doped neptunium pnictide NpFeAsO
PublicationX-ray diffraction, specific heat, magnetic susceptibility and inelastic x-ray scattering measurements on the transurarium oxypnictides NpFeAsO and NpFeAsO0.85F0.15 are presented. No superconductivity down to 2 K was observed upon fluorine doping, contrary to the structurally analogous rare-earth pnictides. No modification of the phonon density of states was observed upon doping with fluorine. We discuss our results in light of...
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Forecast of basic fuel prices in imports to Poland (constant prices in USD in 2007)
Open Research DataThis dataset presents price growth forecasts for conventional energy sources. It should be noted that the Ministry of Economy forecasts a more than two-fold increase in oil prices (although these forecasts may be greatly underestimated) over 23 years, an almost two-fold increase in natural gas prices and a 40% increase in coal prices.
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Why does the Agile leader mindset matter the most?
Open Research DataThe literature widely states that agility is not as much an issue of the technological-methodological management approach as it is an issue of an employee’s mindset. Given that leaders play a pivotal role in any organization, this study underscores the crucial role of the agile mindset of leaders. It aims to uncover how agile mindset leaders influence...
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Photosensitization of TiO2 and SnO2 by Artificial Self-Assembling Mimics of the Natural Chlorosomal Bacteriochlorophylls
PublicationOf all known photosynthetic organisms, the green sulfur bacteria are able to survive under the lowest illumination conditions due to highly efficient photon management and exciton transport enabled by their special organelles, the chlorosomes, which consist mainly of self-assembled bacteriochlorophyll c, d, or e molecules. A challenging task is to mimic the principle of self-assembling chromophores in artificial light-harvesting...
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Synthesis and Characterization of Monometallic (Ag, Cu) and Bimetallic Ag-Cu Particles for Antibacterial and Antifungal Applications
PublicationIn this paper, the experimental studies are concerned with the effect of the synthesis parameters on the formation of monometallic Ag and Cu nanoparticles (NPs). We consider the synthesis strategies verification for the bimetallic core-shell and alloy particles preparation. It was successfully obtained by chemical reduction method. The obtained colloidal solution is characterized by the transmission electron microscopy (TEM) with...