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Wyniki wyszukiwania dla: BALTIC SEA STATES
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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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The supramolecular organization of self-assembling chlorosomal bacteriochlorophyll c, d, or e mimics
PublikacjaBacteriochlorophylls (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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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
PublikacjaDespite 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
PublikacjaF1-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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Crystal structures of the DsbG disulfide isomerase reveal an unstable disulfide
PublikacjaDsb 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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Large Hall and Nernst responses from thermally induced spin chirality in a spin-trimer ferromagnet
PublikacjaThe 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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Quantum communication complexity advantage implies violation of a Bell inequality
PublikacjaWe 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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Effect of electron count and chemical complexity in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor
PublikacjaHigh-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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Torsional elasticity and energetics of F1-ATPase
PublikacjaFoF1-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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Theory of valence-band and core-level photoemission from plutonium dioxide
PublikacjaThe correlated-band theory implemented as a combination of the local-density approximation with the dynamical mean-field theory is applied to PuO2. An insulating electronic structure, consistent with the experimental valence-band photoemission spectra, is obtained. The calculations yield a nonmagnetic ground state that is characterized by a noninteger filling of the plutonium 5f shell. The noninteger filling as well as the satellites...
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Absence of superconductivity in fluorine-doped neptunium pnictide NpFeAsO
PublikacjaX-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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Magnetizabilities of relativistic hydrogenlike atoms in some arbitrary discrete energy eigenstates
PublikacjaWe present the results of numerical calculations of magnetizability of the relativistic hydrogenlike atoms. Exploiting the analytical formula for $\chi$ we have found the values of the magnetizability for the ground state and for the first and the second set of excited states of the atom. The results for ions with the atomic number $0
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Emotion Recognition and Its Applications
PublikacjaThe 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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A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
PublikacjaElectron 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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Experimental Comparison of Straight Lines and Polynomial Interpolation Modeling Methods in Ship Evolutionary Trajectory Planning Problem
PublikacjaPaper presents the application of evolutionary algorithms and polynomial interpolation in ship evolutionary trajectory planning method and its comparison to classic approach, where trajectory is modeled by straight lines. Evolutionary algorithms are group of methods that allows\ to find a collision free trajectory in real time, while polynomial interpolation allows to model smooth trajectory, which keeps continuity of velocity...
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Emulator and simulator of Terma SCANTER and ARPA radar data server
PublikacjaThe software solutions presented in this paper generate real-time data compatible with ARPA radar standard as well as Terma SCANTER 2001 radar cooperating with Video Distribution and Tracking (VDT) server. Two different approaches to this problem are considered: emulation based on the data captured from real devices and simulation of objects on the sea. For both of them architecture, implementation details and functional test results...
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Comparison of Selection Schemes in Evolutionary Method of Path Planning
PublikacjaThis article compares an impact of using various selection schemes on the quality of the solution for the problem of planning the path for a moving object using the evolutionary method. In study case problem of avoiding collisions at sea is analyzed. The modelled environment includes static constraints (lands, canals, etc.) and dynamic objects (moving ships). Article analyses behaviour of selection schemes in two similar environments...
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Simulation studies into quayside transport and storage yard operations in container terminals
PublikacjaThe focus of the paper is on quayside transport and storage yard operations in the sea container terminals. Developed algorithms for solving the issues of load handling and storage space allocation have been applied in the frame of adopted simulation model. The criteria chosen for decision making involved the total makespan of vessel unloading and the utilisation levels of the transportation trucks. Recommendations for unloading...
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The spatial planning of industrial areas in an urbanized area for cargo, in the development of inland waterway transport
PublikacjaSpatial planning, taking into account the configuration of the surface, i.e. its shape (relief) and the presence and mutual location of objects and points of characteristic water ports, is a derivative of several natural, economic, market, technical, social and political factors. It depends on the destination port, the planned structure of trade in cargo, the forecasted traffic of ships, passageways, the technology of reloading...
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The Niching Mechanism in the Evolutionary Method of Path Planning
PublikacjaThis paper presents the concept of the niching mechanism in the evolutionary method of path planning. The problem is considered based on the example of a ship path planning. In this method the diversity of individuals is tested in respect to their physical distance, not the fitness function value. The researches show that such an approach increases effectiveness of solution space exploration, what results in a final solution with...
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Photosensitization of TiO2 and SnO2 by Artificial Self-Assembling Mimics of the Natural Chlorosomal Bacteriochlorophylls
PublikacjaOf 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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External Security Strategies of Belarus
PublikacjaUnder President Lukashenko, three Belarusian national security strategies have been announced: the first in 1995, the second in 2001 and the third in 2011. The first proposal, formulated after Lukashenko’s victory in the presidential elections in 1994, outlined Belarus as a neutral state, unbound to any military block in the absence of external enemies. The direction of the foreign policy pursued by the president of Belarus was...
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Improving performance of large thrust bearings through modeling and experimentation
PublikacjaLarge thrust bearings are highly loaded machine elements and their failures cause serious losses. Start ups and stoppages of the bearing under load are specially critical regimes of operation. Load carrying capacity depends on the profile of the oil gap. In transient states this profile is also changing. In the design of large thrust bearings minimizing thermo-elastic deformations is an important goal, which can be accomplished...
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Geminate-pair dissociation yield in systems with exponential energetic disorder — A Monte Carlo study
PublikacjaGeminate electron–hole recombination in systems with exponential energetic disorder is studied by Monte Carlo method. The field and temperature dependencies of geminate-pair dissociation probability are calculated. It is established that the dissociation yield of carrier pairs depends mainly on the extent of carrier thermalization, which influences the Einstein relationship. The approximate limiting temperature is given by Te =...
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Facilitating free travel in the Schengen area—A position paper by the European Association for Biometrics
PublikacjaDue to migration, terror-threats and the viral pandemic, various EU member states have re-established internal border control or even closed their borders. European Association for Biometrics (EAB), a non-profit organisation, solicited the views of its members on ways which biometric technologies and services may be used to help with re-establishing open borders within the Schengen area while at the same time mitigating any adverse...
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Emotions in the software development process
PublikacjaThis paper presents the results of a survey on the experience of emotions in the work of software developers. Quantitative analysis revealed information about emotions affecting programmers, their frequency and impact on their performance. The concept of emotional risk to productivity was also presented. It allows to choose the emotional states, which should be avoided. Furthermore, all collected data were analyzed with information...
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Modelling of steady state and transient performance of the synchronous generator considering harmonic distortions caused by non-uniform saturation of the pole shoe
PublikacjaIn this paper a synchronous generator model is described. This model is developed on the assumption that in loaded and no load conditions the saturation effect affects the pole shoe in a different way. The developed model is based on the multiple saliency model and is formulated using winding function approach in machine variables. The influence of the non-uniform saturation of the pole shoe in load conditions on the performance...
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Hysteresis curves for some periodic and aperiodic perturbations in gases
PublikacjaEvolution of sound in a medium whose properties irreversibly vary in the course of wave propagation, is studied. For example, a gas that is a particular case of a Newtonian fluid is considered. Hysteresis curves, pictorial representations of irreversible attenuation of the sound energy, in the plane of thermodynamic states are plotted. The irreversible losses in internal energy are proportional to the total attenuation and depend...
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Systemy krążenia wód podziemnych w rejonie Zalewu Kamieńskiego, Pomorze Zachodnie
PublikacjaSystemy krążenia wód podziemnych w rejonie Zalewu Kamieńskiego zależą od budowy geologicznej, ukształtownia terenu a także ascenzji solanek i ingresji wód morskich.Do obliczenia czasu przepływu wody w rozpatrywanych warunkach w ośrodku o znanej porowatości aktywnej posłuzono sie programem TFS opracowanym przez K. Burzyńskiego.Model przepływu wód podziemnych opracowano dla przekroju hydrogeologicznego wzdłuż linii Miedzywodzie -...
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Multipartite secret key distillation and bound entanglement
PublikacjaRecently it has been shown that quantum cryptography beyond pure entanglement distillation is possible and a paradigm for the associated protocols has been established. Here we systematically generalize the whole paradigm to the multipartite scenario. We provide constructions of new classes of multipartite bound entangled states, i.e., those with underlying twisted Greenberger-Horne-Zeilinger (GHZ) structure and nonzero distillable...
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Correlated Particle Motion and THz Spectral Response of Supercritical Water
PublikacjaMolecular dynamics simulations of supercritical water reveal distinctly different distance-dependent modulations of dipolar response and correlations in particle motion compared to ambient conditions. The strongly perturbed H-bond network of water at supercritical conditions allows for considerable translationaland rotational freedom of individual molecules. These changes give rise to substantially different infrared spectra and...
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Quantum entanglement in time
PublikacjaIn this paper we present a concept of quantum entanglement in time in a context of entangled consistent histories. These considerations are supported by presentation of necessary tools closely related to those acting on a space of spatial multipartite quantum states. We show that in similarity to monogamy of quantum entanglement in space, quantum entanglement in time is also endowed with this property for a particular history....
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Design of optimal state feedback controller with observer for multidimensional electrical system
PublikacjaFrom the control point of view, two-input-two-output RC electrical system is a linear and multidimensional system. In this paper, integral control and closed-loop observer are verified whether they can be used and designed. To verify this, Kalman tests are made. These structures are presented and discussed. Integral Control is tested with some base disturbances impact and checked whether it can handle them. The estimated values...
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Transition dipole moments of the lithium dimer
PublikacjaIn addition to knowledge of interatomic adiabatic potential energy curves of diatomic systems, it is essential to know electronic transition dipole moments. They are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping. Here, we present electronic transition dipole moments calculated for 74 allowed transitions between 26 states of Li2 [P. Jasik, J.E. Sienkiewicz, Chem. Phys. 323 (2006)...
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Monitoring the gas turbine start-up phase on the platform using a hierarchical model based on Multi-Layer Perceptron networks
PublikacjaVery often, the operation of diagnostic systems is related to the evaluation of process functionality, where the diagnostics is carried out using reference models prepared on the basis of the process description in the nominal state. The main goal of the work is to develop a hierarchical gas turbine reference model for the estimation of start-up parameters based on multi-layer perceptron neural networks. A functional decomposition...
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Modeling the impact of surface currents in a harbor using graph theory
PublikacjaEnsuring security in a harbor requires research into its infrastructure using spatial environmental data. This paper presents a methodology that defines the design of a graph for modeling the interactions between surface currents and moving objects. Combining this graph with port charts that integrate electronic navigation charts with coastal orthophotographs allows us to perform a multidimensional analysis. In addition, the complete...
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A heterogenous wireless system for maritime communication - the netBaltic system architecture
PublikacjaIn the article, the concept of a heterogeneous wireless maritime mesh network offering transmission for e.g., e-navigation services is presented. The constrains of existing and competitive solutions are discussed showing the need for a new system. The authors present detailed information about a netBaltic node's architecture and networking mechanisms offering different transmission capabilities and proposed for use on different...
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FEM Calculations in Analysis of Steel Subsea Water Injection Flowlines Designing Process
PublikacjaPaper describes the result of theoretical research aimed at assessing the loads and operating conditions of a Coiled Tubing pipeline injecting water, suspended to the mining platform of Lotos Petrobaltic. For this purpose, appropriate calculation models have been developed using the Finite Element Method (FEM), taking into account the nature of the analyzed object and its loads. The analyzes were carried out for two pipes (previously...
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Detection of Lexical Stress Errors in Non-Native (L2) English with Data Augmentation and Attention
PublikacjaThis paper describes two novel complementary techniques that improve the detection of lexical stress errors in non-native (L2) English speech: attention-based feature extraction and data augmentation based on Neural Text-To-Speech (TTS). In a classical approach, audio features are usually extracted from fixed regions of speech such as the syllable nucleus. We propose an attention-based deep learning model that automatically de...
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Is Germany a Hub of ‘Factory Europe’ for CEE Countries?
PublikacjaThe goal of the paper is to decompose gross exports and imports to/from Germany for seven selected economies in Central and Eastern Europe (CEE): the Czech Republic, Estonia, Hungary, Lithuania, Latvia, Poland and Slovakia for 2000 and 2014, in order to identify the role of Germany in absorbing, reflecting and redirecting CEE trade. The authors use a gross trade decomposition proposed by Bonin and Mancini (2017), which is the extended...
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Vibrational Quenching of Optically Pumped Carbon Dimer Anions
PublikacjaCareful control of quantum states is a gateway to research in many areas of science such as quantum information, quantum-controlled chemistry, and astrophysical processes. Precise optical control of molecular ions remains a challenge due to the scarcity of suitable level schemes, and direct laser cooling has not yet been achieved for either positive or negative molecular ions. Using a cryogenic wire trap, we show how the internal...
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Dia- and paramagnetic contributions to magnetizabilities of relativistic hydrogenlike atoms in some low-lying discrete energy eigenstates
PublikacjaIn this paper we present tabulated data for relative diamagnetic and paramagentic contributions to the magnetizability ($\chi$) of the relativistic hydrogenlike atoms with a pointlike, motionless and spinless nucleus of charge $Ze$. Utilizing general analytical formulas for the diamagnetic ($\chi_{d}$) and paramagnetic ($\chi_{p}$) components of $\chi$, recently derived by us [P. Stefa{\'n}ska, 2020] with the aid of the Gordon...
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Interactions of protons with furan molecules studied by collision-induced emission spectroscopy at the incident energy range of 50–1000 eV
PublikacjaInvestigations of the ion-molecule reactions provide insight into many fields ranging from the stellar wind interaction with interstellar media, up to medicine and industrial applications. Besides the applications, the understanding of these processes is itself a problem of fundamental importance. Thus, interactions of protons with the gas-phase furan molecules have been investigated for the first time in the energy range of 50–1000...
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Fatigue strength determination of ship structural joints. Part I - Analytical methods for determining fatigue strength of ship tructures
PublikacjaSpectacular accidents at sea which have happened for a few last years show that hull structures of contemporary sea-going ships are not perfect and must be systematically improved. Fatigue strength is one of the groups of strength problems which affect design of contemporary ship's structures and greatly contribute in their improvement process. In this paper several approaches to estimation of fatigue life of hull structural...