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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublicationAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Nanotubular Titanium Oxide Layers for Enhancement of Bone-Implant Bonding and Bioactivity
PublicationThe present paper describes the techniques to improve the bioactivity of titanium and enhance the bone-implant bonding ability by the electrochemical anodization to fabricate titania nanotube arrays (TiO2).
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Two tests for adhesive bonding long term characterization: principles and applications
PublicationThis article describes recent refinement of the traditional wedge test technique used to characterize durability of the adhesive joints. We propose two types of measuring protocols to monitor precisely and continuously the propagation of an "effective" crack during long term mode I fracture mechanic test. First method is directly derived from the traditional wedge test technique and consist in monitoring the surface strain of adherent...
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Structure of liquid gold from tight-binding driven molecular-dynamics
PublicationPraca przedstawia wyniki symulacji ciekłego złota w nadkomórce periodycznej przy użyciu stworzonego przez autorów programu komputerowego, za pomocą połączonych metod dynamiki molekularnej (MD) i ciasnego wiązania (TB). Omówiono strukturę tak symulowanej cieczy, porównując ją z dostępnymi danymi doświadczalnymi oraz wynikami innych symulacji, pod kątem radialnej i kątowej funkcji rozkładu i elektronowej gęstości stanów.A tight-binding...
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Comparative study of selected fluids for use in supercritical Organic Ranking Cycles
PublicationIn view of increasing interest in improving energy efficiency of energy conversion devices, there is an increasing requirement of combined production of heat and electricity as well as demand for increased implementation of renewable energy resources. The micro cogenerative units utilizing the Organic Rankine Cycle are focusing the attention of many research centres around the world. In the present paper calculations of ORC cycles...
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Investigation of Anti-Lock Braking System failures using wavelet analysis
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Induced circularly polarized luminescence for revealing DNA binding with fluorescent dyes
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Banking Sector’s Profitability and Its Transformation in the Selected Western Balkan Countries
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The Role of Crypto Trading in the Economy, Renewable Energy Consumption and Ecological Degradation
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Climate Challenges and Financial Institutions: An Overview of the Polish Banking Sector’s Practices
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Characterization of single-stranded DNA-binding proteins from the psychrophilic bacteria
PublicationSingle-stranded DNA-binding proteins (SSBs) are indispensable elements in the cells of all living organisms. SSB proteins interact with ssDNAinsequence in an independent manner, preventing them from forming secondary structures and from degradation by nucleases. In this way, SSB-binding proteins participate in all processes involving ssDNA, such as replication, repair and recombination.Although there are differences in amino acid...
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Interplay of hydrogen bonding and aryl-perfluoroaryl interactions in construction of supramolecular aggregates
PublicationThe stacking between aryl and perfluoroaryl units is an important class of the aromatic – aromatic interactions that has attracted rapidly growing interest in recent years. Continuing interest of our group in this subject it had been prepared three new complexes of pentafluorobenzoic acid with benzyl alcohol, 4-methylbenzyl alcohol and 4-tert-butylbenzyl alcohol and in the next step investigated their self-assembly modes by...
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Functionalized azobenzocrown ethers as sensor materials—The synthesis and ion binding properties
PublicationNew 13- and 16-membered azobenzocrown ethers with aromatic amino, amide, ether–ester or ether–amide residue in para position to an azo moiety were obtained. Acid–base properties and ion binding ability of the colored compounds were studied by spectroscopic methods: UV–vis, fluorimetry and 1H NMR spectroscopy. Selected azobenzocrowns were tested as ionophores in ion-selective membrane electrodes (ISEs) – classic and miniature all...
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Characterization of single-stranded DNA-binding proteins from the psychrophilic bacteria
PublicationSingle-stranded DNA-binding proteins (SSBs) are indispensable elements in the cells of all living organisms. SSB proteins interact with ssDNA insequence in an independent manner, preventing them from forming secondary structures and from degradation by nucleases. In this way, SSB-binding proteins participate in all processes involving ssDNA, such as replication, repair and recombination. Although there are differences in amino...
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Testing of low temperature behaviour of asphalt mixtures in bending creep test
PublicationThe paper presents a method of bending beam test and its importance for evaluation of asphalt mixtures behaviour at low temperatures. Two types of asphalt mixtures: asphalt concrete AC with normal paving grade bitumen and stone mastic asphalt SMA with SBS-modified bitumen were tested. Long-term oven ageing (LTOA) test was also used in the laboratory according to SHRP procedure. The Burgers model was applied and rheological parameters...
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In vitro antioxidative and binding properties of phenolics in traditional, citrus and exotic fruits
PublicationMany polyphenols bind proteins, therefore our research was focused on the potential of protein binding to polyphenols of investigated fruits and their health-related effects. The contents of polyphenols and related antioxidant activities of traditional, citrus and exotic fruits were compared. The presence of polyphenols (flavonoids and phenolic acids) in the investigated samples and their interaction with human serum albumin (HSA)...
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Methods of Artificial Intelligence for Prediction and Prevention Crisis Situations in Banking Systems
PublicationIn this paper, a support vector machine has been studied due to prediction of bank crisis. To prevent outcomes of crisis situations, artificial neural networks have been characterized as applied to stock market investments, as well as to test the credibility of the bank's customers. Finally, some numerical experiments have been presented.
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Multicriteria decision analysis in ranking of analytical procedures for aldrin determination in water
PublicationThe study presents the possibility of multi-criteria decision analysis (MCDA) application when choosing analytical procedures with low environmental impact. A type of MCDA, Preference Ranking Organization Method for Enrichment Evaluations (PROMETHEE), was chosen as versatile tool that meets all the analytical chemists – decision makers requirements. Twenty five analytical procedures for aldrin determination in water samples (as...
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Common functionally important motions of the nucleotide‐binding domain of H sp70
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Guided wave propagation for assessment of adhesive bonding between steel and concrete
PublicationAdhesive bonding is becoming more increasingly important in joining of structural elements. In civil engineering, there is a growing interest in connection by adhesive bonding in steel-concrete flexural members. This study concerns the guided wave propagation technique applied to condition assessment of an adhesive connection between a steel member and a concrete beam. Various states of degradation were considered by producing...
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TRANSFORMATION OF THE BANKING SECTOR AS AN ELEMENT OF ECONOMIC TRANSFORMATION IN SOUTH-EAST EUROPE
PublicationThe issue of stability in economy is essential, both in theoretical as well as in practical discussion. It is especially important in an environment of economic transformation. The aim of the article is to assess the economic stability during the transformation of the south-east region of Europe over a period of 19 years (1996 – 2014), and the mutual relation between the economic stability and the transformation process, including...
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Ranking decision variants by subjective paird comparisons in cases with incomplete data.
PublicationMetoda porównań parami wykorzystywana jest do szeregowania skończonej,zwykle niewielkiej liczby wariantów decyzyjnych. W metodzie tej ekspert lub grupa ekspertów proszona jest o wyrażenie swojej opinii dotyczącej każdej pary wariantów w postaci względnej preferenecji jednego wariantu nad drugim.Zdarza się jednak często, że ekspert nie jest w stanie ocenić pary lub par wiariantów i mamy wtedy do czynienia z sytuacją...
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Nanotubular Ti Oxide Layers for Enhancement of Bone-Implant Bonding and Bioactivity
PublicationAbstrakt artykułu pt. ''Nanotubular Ti Oxide Layers for Enhancement of Bone-Implant Bonding and Bioactivity''. The paper describes techniques to improve the bioactivity of titanium and ehnahnce the bone-implant bonding ability by the electrochemical anodization to fabricate titania nanotubular oxide layer.
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Using the Fingerprinting Method to Customize RTLS Based on the AoA Ranging Technique
PublicationReal-time Locating Systems (RTLSs) have the ability to precisely locate the position of things and people in real time. They are needed for security and emergency applications, but also for healthcare and home care appliances. The research aims for developing an analytical method to customize RTLSs, in order to improve localization performance in terms of precision. The proposed method is based on Angle of Arrival (AoA), a ranging...
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Effect of elliptical defect orientation on the durability of specimens subjected to cyclic bending
PublicationThis work presents the effect of elliptical defects orientation on the durability of specimens made of C45 steel. Three kinds of specimens with elliptical defects in the form of a one-sided notch oriented at different angles 45, 60, and 90 degrees were subjected to cyclic bending (R=-1). The stress state analysis was performed using local and non-local methods to determine an equivalent amplitude of stress, and then the results...
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Effect of Ion and Binding Site on the Conformation of Chosen Glycosaminoglycans at the Albumin Surface
PublicationAlbumin is one of the major components of synovial fluid. Due to its negative surface charge, it plays an essential role in many physiological processes, including the ability to form molecular complexes. In addition, glycosaminoglycans such as hyaluronic acid and chondroitin sulfate are crucial components of synovial fluid involved in the boundary lubrication regime. This study presents the influence of Na+, Mg2+ and Ca2+ ions...
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Determination of the Bending Properties of Wire Rope Used in Cable Barrier Systems
PublicationThis paper presents research on the bending properties of 3 × 7 19-mm wire rope commonly used in road cable barriers. A total of 19 experimental tests were conducted. In addition, two nonlinear 3D numerical models of the wire rope using beam and solid finite elements were developed. Based on these models, four numerical simulations were carried out. The numerical results were validated against the experimental ones and a very good...
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Bonding interactions in oxydiacetate and thiodiacetate cobalt(II) and nickel(II) complexes
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Multi-scale modelling of concrete beams subjected to three-point bending
PublicationW artykule przedstawiono wyniki numeryczne MES dwuskalowego modelowania belek betonowych z nacięciem na poziomie skali makro i mezo. Obliczenia wykonano przy wykorzystaniu modelu degradacji sztywności z nielokalnym osłabieniem. Beton został opisany na poziomie skali mezo jako stochastyczny materiał 3-składnikowy złożony z kruszywa, zaczynu cementowego oraz stref kontaktu. Natomiast na poziomie skali makro został opisany jako materiał...
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Exact resultant equilibrium conditions in the non-linear theory of branching and self-intersecting shells
PublicationWe formulate the exact, resultant equilibrium conditions for the non-linear theory of branching and self-intersecting shells. The conditions are derived by performing direct through-the-thickness integration in the global equilibrium conditions of continuum mechanics. At each regular internal and boundary point of the base surface our exact, local equilibrium equations and dynamic boundary conditions are equivalent, as expected,...
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Enhancing the Effectiveness of the Diamond Metal Bond Instrument when Grinding High-Strength Materials
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Numerical Simulations and Tracer Studies as a Tool to Support Water Circulation Modeling in Breeding Reservoirs
PublicationThe article presents a proposal of a method for computer-aided design and analysis of breeding reservoirs in zoos and aquariums. The method applied involves the use of computer simulations of water circulation in breeding pools. A mathematical model of a pool was developed, and a tracer study was carried out. A simplified model of two-dimensional flow in the form of a biharmonic equation for the stream function (converted into...
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Standing Acoustic Waves and Relative Nonlinear Phenomena in a Vibrationally Relaxing Gas-Filled Resonator
PublicationStanding acoustic waves in one-dimensional resonator filled with vibrationally relaxing gas, are studied. Two regimes of excitation of molecular vibrational degrees of freedom are considered, equilibrium and nonequilibrium. The acoustic energy enlarges with time in the non-equilibrium regime and decreases otherwise before formation of discontinuity. After that, it decreases due to nonlinear absorption and tends to zero in equilibrium...
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Investigations On Water Circulation in Animal Sea-Water Basins – On the Example of Seals′ Breeding Pools
PublicationThis paper presents general comments concerning investigations on water circulation in animal breeding pools containing sea water. As an example are given results of computer simulation of water circulation in seals’ breeding pools situated in Marine Station at Hel, belonging to Oceanographic Institute, Gdansk University. A mathematical model of three main pools was prepared with taking into account their inflow and outflow water...
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Family business as a breeding ground for nascent entrepreneurs. An insight into transition economy: the case of Poland
PublicationArtykuł przedstawia analizę zagadnienia zdolności firm rodzinnych do generowania postaw preprzedsiębiorczych na przykładzie Polski jako kraju o gospodarce transformującej się od centralnie sterowanej do rynkowej. Część empiryczna oparta jest wynikach pilotażowych badań przeprowadzonych na studentach pierwszego roku WZiE PG, które to wyniki posłużyły do stworzenia wstępnej wersji modelu opisującego determinanty procesu generowania...
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The geometry of free-standing titania nanotubes as a critical factor controlling their optical and photoelectrochemical performance
PublicationTitanium 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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Utility of an unitary-shredding method to evaluate the conditions and selection of constructional features during grinding
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Analyzing content of tasks in Business Process Management. Blending task execution and organization perspectives
PublicationAn efficient organization, management, and execution of tasks are central for the successful functioning of any organization. This topic was on the research agenda already in the early 1950s and keeps attracting the scientific community's attention today. Continuous advances and penetration of technologies in organizations are expected to increase task variety and complexity. This creates a constant demand for new methods to analyze,...
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Dynamic analysis of temporary steel grandstand equipped with different types of bracing system
PublicationIn the paper, behaviour of a temporary steel grandstand equipped with two different types of bracing system has been analysed through the numerical study. A typical solution concerning application of a diagonal tubular members has been compared with elements proposed by authors and called polymer dampers. A polymer element consists of two L-shape steel members bonded with polymer mass. The aim of the paper is to verify the effectiveness...
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Analysis of temporary steel grandstand with different bracing systems exposed to crowd load
PublicationGrandstands are structures which are regularly subjected to dynamic loads generated by crowd motions. It is a dangerous situation when spectators induce rhythmic jumping, dancing, stamping, etc. If the synchronized movement of spectators excites a natural frequency of the structure, resonant response might occur. To avoid such situations, temporary steel grandstands are commonly strengthened using additional elements that create...
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Crystal structure, chemical bonding, and physical properties of layered AIrSn2 (A = Sr and Ba)
PublicationWe report the experimental and theoretical investigation of structure, chemical bonding interactions, and physical properties of new ternary stannides AIrSn2 (A = Sr and Ba). AIrSn2 (A = Sr and Ba) crystallizes in the orthorhombic Re3B-type structure with the space group Cmcm (No. 64). According to single-crystal X-ray diffraction results, the structure of AIrSn2 (A = Sr and Ba) can be considered as a Zintl-type compound with heterogeneous...
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Banking stability during the economic transformation process in selected countries of the Western Balkans
PublicationEconomic transformation is still an ongoing process in many European countries. Despite common economic roots, the current economic situations are developing differently in different countries. This article will consider the process of economic transformation in terms of the banking sector. It aims to assess the level of banking stability throughout the transformation process in the Western Balkan region, and to assess the determinates...
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Subjective tests for gathering knowledge for applying color grading to video clips automatically
PublicationThe analysis of film music concerning caused emotions may allow for a more accurate adaptation of the color of the film in the context of color grading. Therefore, this paper aims to gather knowledge on the correlation between the applied color palette to a video clip, music associated with a particular shot, and emotions evoked. For that purpose, subjective tests are prepared in which several video clips are presented with or...
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Optimization of the efficiency of braking energy recovery in rail transport by changing arrival time
PublicationThe article refers to the previous work of the authors, in which the model of traffic organization of cooperating trains including the optimization of the use of energy returned to the catenary was presented. In the presented article, the model was modified by changing the main control variable, which affects the efficient use of energy. Departure time was changed for the arrival time of the train to the stop or station. The optimization...
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Generalized Pareto ranking bisection for computationally feasible multi-objective antenna optimization
PublicationMulti-objective optimization (MO) allows for obtaining comprehensive information about possible design trade-offs of a given antenna structure. Yet, executing MO using the most popular class of techniques, population-based metaheuristics, may be computationally prohibitive when full-wave EM analysis is utilized for antenna evaluation. In this work, a low-cost and fully deterministic MO methodology is introduced. The proposed generalized...
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Efficient three-dimensional fluorescence measurements for characterization of binding properties in some plants
PublicationThe main aim of this research was to characterize some plants and to determine their similarities and differences, using spectroscopic methods. The interactions of soluble polyphenols of different plants with human serum albumin (HSA) were investigated by 3D-fluorescence. The obtained fluorescence results allow to classify the investigated plants according to their binding properties. The HSA-binding capacities of these plants...
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Utilization of the zero unitarization method for the building of a ranking for diagnostic marine engine parameters
PublicationChanging some of the parameters of the engine structure affects the emission of harmful components in the exhaust gases This primarily concerns damage in the cargo exchange system as well as in the fuel system and engine boost system. Changes in emissions of harmful compounds are often ambiguous, depending largely on the parameters that shape the combustion process. An additional problem is that often simple but undesired interactions...
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Imidazo-thiazine, -diazinone and -diazepinone derivatives. Synthesis, structure and benzodiazepine receptor binding
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A tight-binding model of a carbon nanotube interacting with TiO2 rutile (110) surface
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Analysis of Business Customers’ Energy Consumption Data Registered by Trading Companies in Poland
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