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Molecular Dynamics to Predict Cryo-EM: Capturing Transitions and Short-Lived Conformational States of Biomolecules
PublicationSingle-particle cryogenic electron microscopy (cryo-EM) has revolutionized the field of the structural biology, providing an access to the atomic resolution structures of large biomolecular complexes in their near-native environment. Today’s cryo-EM maps can frequently reach the atomic-level resolution, while often containing a range of resolutions, with conformationally variable regions obtained at 6 Å or worse. Low resolution...
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Comparison of Renewable Energy Sources in ‘New’ EU Member States in the Context of National Energy Transformations
PublicationThe European Union strives to create sustainable, low-carbon economies; therefore, energy policies of all member states should move towards renewable energy sources (RES). That concerns also the so-called new EU member states. These countries, on the one hand, are characterized by significant historical similarities in terms of post-communist legacy and adopted development strategies linked with the EU membership, and on the other...
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Nitride LEDs and Lasers with Buried Tunnel Junctions
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Functionalized nanodiamonds as a perspective green carbo-catalyst for removal of emerging organic pollutants
PublicationRapid industrial and urban development jointly with rising global population strongly affect the large-scale issues with drinking, groundwater, and surface water pollution. Concerns are not limited to environmental issues but also human health impact becoming serious global aspect. Organic pollution becomes a primarily serious hazard, therefore, the novel sophisticated approaches to treat them are thoroughly investigated. Among...
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Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy
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Central and Eastern European states in global production linkages: country-level and sector-level analysis
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The von Neumann entanglement entropy for Wigner-crystal states in one dimensional N-particle systems
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Innovativeness and Competitiveness of the New European Union States in Variable Economic Situation between 2006 and 2013
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The nature of emitting states in electroluminescence of polymeric films do-ped with anthracene andanthracene-based supramolecules
PublicationZaobserwowano nową odmianę bi-molekularnych stanów wzbudzenia elektronowego w polimerowych jednowarstwowych diodach EL z molekułami antracenu wbudowanymi bezpośrednio w matrycę poliwęglanową, jak i pośrednio przez ich włączenie jako grup chromoforowych w dużych makromolekułach rotaxanowych. Stwierdzono, że obok typowej emisji ekscymerowej pojawia się długofalowe pasmo elektromerowe. Pasmo to związane jest z emisją kolumbowsko związanych...
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Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy
PublicationPhotofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region, producing excited atomic and molecular fragments, has been studied over the energy range 14-68 eV using photon-induced fluorescence spectroscopy. Excited hydrogen atoms H(n), n = 3-11, have been detected by observation of the Hα to Hı lines of the Balmer series. The diatomic CH(A2Δ), CH(B2Σ-) and C2(d3Πg) fragments, which are excited to low vibrational...
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Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules
PublicationFormation of the excited NH(A 3Π) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A 3Π) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom...
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Highly Occupied Surface States at Deuterium-Grown Boron-Doped Diamond Interfaces for Efficient Photoelectrochemistry
PublicationPolycrystalline boron-doped diamond is a promising material for high-power aqueous electrochemical applications in bioanalytics, catalysis, and energy storage. The chemical vapor deposition (CVD) process of diamond forma-tion and doping is totally diversified by using high kinetic energies of deu-terium substituting habitually applied hydrogen. The high concentration of deuterium in plasma induces atomic arrangements and steric...
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Variational principles for bound states of Schrödinger and Dirac equations allowing the use of discontinuous trial functions
PublicationWe present systematic constructions of variational principles for energies of bound states of the Schroedinger and Dirac equations. The principles allow the use of discontinuous trial functions. The method employed is based on a generalized Lagrange procedure. Relationships between our variational principles and those available in the literature are established.
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Charge density wave, enhanced mobility, and large nonsaturating magnetoresistance across the magnetic states of HoNiC2 and ErNiC2
PublicationWe report on magnetotransport and thermoelectric properties of two ternary carbides HoNiC2 and ErNiC2 hosting both charge density wave and long-range magnetic order. In the charge density wave state, both compounds show relatively large magnetoresistance MR ≈ 150% in HoNiC2 and ≈ 70%in ErNiC2 at a magnetic field of 9 T and temperature as low as 2 K. This positive field-linear magnetoresistance shows no signatures of saturation....
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A la recherche d’une coherence perdue – Possible Arguments for the Non-application of EU Law in Member States
PublicationThe European Union (EU) is an international organization which has a broad scope of competences that have been transferred to it by its Member States in the founding Treaties. The object of the article is to identify arguments raised, or that potentially might be raised, by national Constitutional Courts (and in the future possibly by other actors as well) to exclude in certain instances the application of EU law or EU jurisprudence...
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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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Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy
PublicationWe present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)3]2+ ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization...
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Clustering Bathymetric Data for Electronic Navigational Charts
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Selection of SOM parameters for the needs of clusterization of data obtained by interferometric methods
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Self-organizing Artificial Neural Networks into Hydrographic Big Data Reduction Process
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Hierarchical Hydrographic Data Fusion for Precise Port Electronic Navigational Chart Production
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Sensor data fusion techniques for environment modelling
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Comparison of Selected Reduction Methods of Bathymetric Data Obtained by Multibeam Echosounder
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Fragmentation of Hydrographic Big Data Into Subsets During Reduction Process
PublicationThe article presented problems of fragmentation of hydrographic big data into smaller subsets during reduction process. Data reduction is a processing of reduce the value of the data set, in order to make them easier and more effective for the goals of the analysis. The main aim of authors is to create new reduction method. The article presented the first stage of this method – fragmentation of bathymetric data into subsets. It...
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General concept of reduction process for big data obtained by interferometric methods
PublicationInterferometric sonar systems apply the phase content of the sonar signal to measure the angle of a wave front returned from the seafloor or from a target. It collect a big data – datasets that are so large or complex that traditional data processing application software is inadequate to deal with them. The recording a large number of data is associated with the difficulty of their efficient use. So data have to be reduced. The main...
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Quantum key distribution based on private states: Unconditional security over untrusted channels with zero quantum capacity
PublicationIn this paper, we prove unconditional security for a quantum key distribution (QKD) protocol based on distilling pbits (twisted ebits) from an arbitrary untrusted state that is claimed to contain distillable key. Our main result is that we can verify security using only public communication-via parameter estimation of the given untrusted state. The technique applies even to bound-entangled states, thus extending QKD to the regime...
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Impurity trapped exciton states related to rare earth ions in crystals under high hydrostatic pressure
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
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Facile and cost-effective technique to control europium oxidation states in glassy fluorophosphate matrices with tunable photoluminescence
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Electron Binding Capabilities of Some Silylenes Having Small Singlet−Triplet Splittings or Triplet Ground States
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Alternative approach to the solution of the momentum-space Schrödinger equation for bound states of the N-dimensional Coulomb problem
PublicationW pracy rozważono zagadnienie Schrödingera-Coulomba w R^N, N>=2, w reprezentacji pędowej. Radialne równanie całkowe występujące w stowarzyszonym zagadnieniu sturmowskim rozwiązano, stosując podane przez Ossiciniego symetryczne rozwinięcie typu Poissona funkcji Legendre'a drugiego rodzaju w szereg iloczynów wielomianów Gegenbauera. Następnie wykorzystano relację pomiędzy rozwiązaniami zagadnienia sturmowskiego oraz zagadnienia własnego...
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Can unequal distributions of wealth influence vote choice? A comparative study of Germany, Sweden and the United States.
PublicationIt is widely accepted that income influences voting behavior. Does wealth? Is the effect similar across countries? Studies of wealth and voting behavior have not existed until recently, in part because of the absence of data on wealth holdings. The findings in this chapter indicate that wealth is related to voting behavior in some countries but not in others. The chapter models the effects of wealth on one form of voting behavior,...
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
PublicationWe present a comprehensive experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectrum of dichloromethane, CH 2 Cl 2 , with absolute cross sections determined for the full 5.8–10.8 eV energy-range. The calculations on the vertical excitation energies and oscillator strengths were performed using the equation-of-motion coupled cluster method, restricted to the single and double excitations level (EOM-CCSD), and...
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Quenching of bright and dark excitons via deep states in the presence of SRH recombination in 2D monolayer materials
PublicationTwo-dimensional (2D) monolayer materials are interesting systems due to an existence of optically non-active dark excitonic states. In this work, we formulate a theoretical model of an excitonic Auger process which can occur together with the trap-assisted recombination in such 2D structures. The interactions of intravalley excitons (bright and spin-dark ones) and intervalley excitons (momentum-dark ones) with deep states located...
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Density functional LCAO calculations of vibrational modes and phonon density of states in the strained single-layer phosphorene
PublicationThe paper presents an investigation of phosphorene under axial strain on the phonon density of states and vibrational modes. The studies were performed by means of density functional theory (DFT) within the linear combination of atomic orbitals (LCAO). The strained models were constructed using optimised supercell techniques. The vibrational mode spectra were estimated for strains applied for both the zigzag and armchair directions...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublicationWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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EEG data recorded in three mental states
Open Research DataElectroencephalographic (EEG) signals were acquired from 17 (14 males, 3 females) participants aged between 20 and 30 years.
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Central and Eastern European States from an International Perspective: Economic Potential and Paths of Participation in Global Value Chains
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Dipole-bound anions supported by charge-transfer interaction: valence- and dipole-bound anionic states of H3N→BF3
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Structural Change in New Member States (1995–2005): Shift–Share Analysis of Productivity Growth and its Determinants
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MODELLING OF TOXIC COMPOUNDS EMISSION IN MARINE DIESEL ENGINE DURING TRANSIENT STATES AT VARIABLE PRESSURE OF FUEL INJECTION
PublicationTransient states are an important part of the spectrum of engine loads, especially the traction engines. In the case of marine diesel engines, transient states are of particular importance in reducing the analysis of motion units for special areas and maneuvering in port, the participation of transient states in the load spectrum significantly increases, also, the emission of toxic compounds from this period increases proportionally....
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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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Structural change in New Member States (1995-2005): shift-share analysis of productivity growth and its determinants
PublicationThe chapter focuses on the latest developments in ten New MemberStates (presented vis-à-vis EU-15countries), seen from the perspective of structural change and quality upgrading of their economic structures. In particular, recently released disaggregated labor statistics are used,allowing to analyse the process of labor reallocation and productivitychanges associated with inter-and intra-industrystructural change. Since the mid-1990s...
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Optimising approach to designing kernel PCA model for diagnosis purposes with and without a priori known data reflecting faulty states
PublicationFault detection plays an important role in advanced control of complex dynamic systems since precise information about system condition enables efficient control. Data driven methods of fault detection give the chance to monitor the plant state purely based on gathered measurements. However, they especially nonlinear, still suffer from a lack of efficient and effective learning methods. In this paper we propose the two stages learning...
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Logistics of Transnational Corporations as the Basis of Cooperation Between Ukraine and EU (for Poland Example)
PublicationThe article describes the scientific and theoretical basis for the organization of logistics management of modern international corporations, owning by assets in mining and metallurgical business in Ukraine and Poland; it had been analyzed the influence of transfer pricing mechanism as one of the main factors affecting on the efficiency of the organization of supply chain of resources (Ukrainian semi-finished goods) to ensure uninterrupted...
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Radar sensors planning for the purpose of extension of River Information Services in Poland
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Verification of multiple model neural tracking filter with ship's radar
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Hydrodron — New Step for Professional Hydrography for Restricted Waters
PublicationHydrographic surveys in restricted areas are becoming increasingly important, but often impossible to carry out with conventional hydrographic vessels. Presumably in this case an employment of unmanned vehicles is the only reasonable solution. As restricted water areas include, among others: harbours, roadsteads, rivers or lakes. The HydroDron platform, due to its mobility, can operate in the above-mentioned areas. It is adapted...
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Sensors and System for Vehicle Navigation
PublicationIn recent years, vehicle navigation, in particular autonomous navigation, has been at the center of several major developments, both in civilian and defense applications. New technologies, such as multisensory data fusion, big data processing, or deep learning, are changing the quality of areas of applications, improving the sensors and systems used. Recently, the influence of artificial intelligence on sensor data processing and...
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Wireless Local Area Network Technologies as Communication Solutions for Unmanned Surface Vehicles
PublicationAs the number of research activities and practical deployments of unmanned vehicles has shown a rapid growth, topics related to their communication with operator and external infrastructure became of high importance. As a result a trend of employing IP communication for this purpose is emerging and can be expected to bring significant advantages. However, its employment can be expected to be most effective using broadband communication...