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Porównywanie topologii drzew i sieci filogenetycznych z wykorzystaniem metryki błędu
PublikacjaPodstawowymi modelami historii ewolucji organizmów są drzewa i sieci filogenetyczne. Ponieważ algorytmy konstrukcji filogenów zwracają różne wyniki dla tych samych danych wejściowych, powstaje problem oceny, który filogen najlepiej reprezentuje historię ewolucji dla zadanego zbioru gatunków. W pracy podano definicję metryki dla przestrzeni drzew o n liściach, zwanej metryką błędu. Dokonano przeglądu miar odległości na przestrzeni...
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Active and Dynamic Graphical Code for Object Identification in Healthcare
PublikacjaA new approach for item marking using two dimensional discrete graphics markers. Proposed solution allow o change the code rapidly, upon request and in the case of thermal markers make the code invisible for unauthorized observers. Connecting the proposed codes with wearable multmedial platform such as eGlasses can create new possibilities in human-environment interaction.
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Distributed infrastructure of self-organizing service servers
PublikacjaThis paper presents an idea of creating distributed system consisting of autonomous self-organizing service providers. It shows a real implemented system allowing for dynamic service search without interaction with client based on the inter-servers communication. Moreover presented system can be easily enriched with new elements without the need for restarting already existing servers.
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Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid
PublikacjaThe first example of CO2 diphosphination is described. Reactions of unsymmetrical diphosphanes with CE2 (E = O, S) catalyzed by BPh3 insert a CE2 molecule into the P-P bond with formation of the products of the general formula R2P-E-C(=E)-PR2. The obtained CO2 adducts arise from synergistic interaction of diphosphane and borane with CO2 molecule.
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Design of new cholinesterase inhibitors based on phosphorus analogs of tacrine as potential anti-Alzheimer’s disease agents
PublikacjaBased on the analysis of the determined free binding energy (using the AutoDock Vina 1.1.2 docking program), the most potent cholinesterase inhibitors were selected. Moreover, studies of 3D visualization of the results of molecular modeling led to the identification of potential sites for the interaction of new potential inhibitors with amino acid residues building active sites of investigated cholinesterases.
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2-Methylphenyl 2-methoxyacridine-9-carboxylate
PublikacjaThe title compound, C22H17NO3, crystallizes in the monoclinic space group P21/c with four molecules per unit cell. The molecules are arranged in centrosymmetric pairs, joined via the C and attached H atoms in the meta position relative to the methoxy group. These pairs are bonded in the crystalline phase as a result of non-specific dispersive interactions, and through a network of C—H⋯O interactions involving the non-bonded O...
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Visualizing spatially decomposed intermolecular correlations in the infrared spectra of aprotic liquids
PublikacjaInfrared (IR) spectroscopy is commonly used to study intermolecular interactions in the liquid phase, including solvation phenomena. On the other hand, ab initio molecular dynamics (AIMD) simulations offer the possibility to obtain IR spectra from first principles. Surpassing the experiment, AIMD simulations can deliver additional information on the spatial intermolecular correlations underlying the IR spectrum of the liquid. Although...
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Structural and dynamic insights on the EmrE protein with TPP+ and related substrates through molecular dynamics simulations
PublikacjaEmrE is a bacterial transporter protein that forms an anti-parallel homodimer with four transmembrane helices in each monomer. EmrE transports positively charged aromatic compounds, such as TPP+ and its derivatives. We performed molecular dynamics (MD) simulations of EmrE in complex with TPP+, MeTPP+, and MBTPP+ embedded in a membrane. The detailed molecular properties and interactions were analysed for all EmrE-ligand complexes....
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Text Mining Algorithms for Extracting Brand Knowledge; The fashion Industry Case
PublikacjaBrand knowledge is determined by customer knowledge. The opportunity to develop brands based on customer knowledge management has never been greater. Social media as a set of leading communication platforms enable peer to peer interplays between customers and brands. A large stream of such interactions is a great source of information which, when thoroughly analyzed, can become a source of innovation and lead to competitive advantage....
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Highly effective asphaltene-derived adsorbents for gas phase removal of volatile organic compounds
PublikacjaA novel nitrated asphaltene-derived adsorbent (Asf-Nitro) was prepared using facile isolation and modification procedures. The successful modification was confirmed by Fourier-transform infrared spectroscopy (FTIR). The nitrated adsorbent was evaluated in terms of dispersive and specific interactions, Lewis acid-base properties and adsorption isotherms by means of inverse gas chromatography (IGC). Nitration was found to be extremely...
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Mechanical behaviour of the implant used in human hernia repair under physiological loads
PublikacjaIn laparoscopic operations of abdominal hernias some recurrences still take place, even when applying a surgical mesh. This is usually caused by a failure of the connection between the tissue and the implant. The study deals with the influence of an implant’s orientation on forces in joints, which connect the mesh to human tissues. In the paper, the implant is modelled as a membrane structure within framework of the Finite Element...
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An new method of audio-visual correlation analysis
PublikacjaThis paper presents a new methodology of conducting the audio-visual correlation analysis employing the gaze tracking system. Interaction between two perceptual modalities, seeing and hearing, their interaction and mutual reinforcement in a complex relationship was a subject of many research studies. Earlier stage of the carried out experiments at the Multimedia Systems Department (MSD) showed that there exists a relationship between...
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In vitro antioxidative and binding properties of phenolics in traditional, citrus and exotic fruits
PublikacjaMany 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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Modal analysis of a steel grandstand
PublikacjaAmong the issues related to the idea of sustainable society is the safety of civil engineering structures devoted to satisfy different needs of people. One of the types of structures devoted to satisfy recreational needs are grandstands, which are used during sport events or music concerts. It is obligatory to consider interaction between structure and crowd load especially when the crowd movement involves rhythmic jumping, dancing,...
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FDTD Simulations on Disjoint Domains with the Use of Discrete Green's Function Diakoptics
PublikacjaA discrete Green's function (DGF) approach to couple disjoint domains in the finite-difference time-domain (FDTD) grid is developed. In this method, total-field/scattered-field (TFSF) FDTD domains are associated with simulated objects whereas the interaction between them is modeled with the use of the DGF propagator. Hence, source and scatterer are simulated in separate domains and updating of vacuum cells, being of little interest,...
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Stress Detection of Children with Autism using Physiological Signals in Kaspar Robot-Based Intervention Studies
PublikacjaThis study aims to develop a stress detection system using the blood volume pulse (BVP) signals of children with Autism Spectrum Disorder (ASD) during robot-based interven- tion. This study presents the heart rate variability (HRV) analysis method to detect the stress, where HRV features are extracted from raw BVP signals recorded from an E4 wristband during interaction studies with the social robot Kaspar. Low frequency power...
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Properties of Different Varieties of Durian
PublikacjaDurian (Durio zibethinus Murr.), like many other exotic, tropical, and conventional fruits, is important in the prevention of different diseases. In this study, the characterization of the main bioactive compounds of the most popular cultivars of durian and their properties are described. The changes in the quality indices of the antioxidant status were determined by CUPRAC, ABTS, FRAP, DPPH, and ORAC assays. The profiling of phytochemicals...
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Methods of solving the Atkins equation determine shear angle with taking into consideration a modern fracture mechanics
PublikacjaIn the paper are presented methods of solving nonlinear Atkins equation . The Atkins equation describe shear angle with taking into account properties of material cutting. To solve Atkins equation has been used iterative methods: Newton method and simplified method of simple iteration. Method of simple iteration is presented in the form of Java application.
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Application of bioassays in studies on the impact of pharmaceuticals on the environment
PublikacjaDrug interactions are often desirable particularly in medicine, when treatment of a patient requires using a mixture of drugs in specific doses to produce the adequate therapeutic effect. Unfortunately, interactions between drugs in the environment are not as desirable, despite the fact that drugs are present in the environment at low concentration levels [1]. Pharmaceuticals are present in the environment in a mixture of compounds,...
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Pharmacomicrobiomics of cell-cycle specific anti-cancer drugs – is it a new perspective for personalized treatment of cancer patients?
PublikacjaIntestinal bacteria are equipped with an enzyme apparatus that is involved in the active biotrans-formation of xenobiotics, including drugs. Pharmacomicrobiomics, a new area of pharmacology, analyses interactions between bacteria and xenobiotics. However, there is another side to the coin. Pharmacotherapeutic agents can significantly modify the microbiota, which consequently affects their efficacy. In this review, we comprehensively...
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EU-Turkey Customs Union and Bilateral Foreign Direct Investment Flows
PublikacjaMain aim of this text is presentation of the effects of customs union between the European Union and turkey on bilateral FDI flows in light of the theory of linkages between economic integration and FDI flows. First section of the text is a survey of main theoretical links between economic integration and FDI flows. Second section focuses on the history and scope of the customs union. Third and fourth sections are empirical and...
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Why the Solvation Water around Proteins Is More Dense than Bulk Water
PublikacjaThe main aim of this work is to propose a rational explanation of the commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that the geometry of the water–water hydrogen bond network within solvation layer differs from the one in bulk water, and it is the result of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the...
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Why the solvation water around proteins is more dense than bulk water
PublikacjaThe main aim of this work is to propose a rational explanation of commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that geometry of the water-water hydrogen bond network within solvation layer differs from the one in bulk water and it is the effect of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the structure...
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Cooperative control in production and logistics
PublikacjaClassical applications of control engineering and information and communication technology (ICT) in production and logistics are often done in a rigid, centralized and hierarchical way. These inflexible approaches are typically not able to cope with the complexities of the manufacturing environment, such as the instabilities, uncertainties and abrupt changes caused by internal and external disturbances, or a large number and variety...
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Hydrochars as a bio-based adsorbent for heavy metals removal: A review of production processes, adsorption mechanisms, kinetic models, regeneration and reusability of hydrochar
PublikacjaThe spread of heavy metals throughout the ecosystem has extremely endangered human health, animals, plants, and natural resources. Hydrochar has emerged as a promising adsorbent for removing heavy metals from water and wastewater. Hydrochar, obtained from hydrothermal carbonization of biomass, owns unique physical and chemical properties that are highly potent in capturing heavy metals via surface complexation, electrostatic interactions,...
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Physicochemical and Mechanical Performance of Freestanding Boron-Doped Diamond Nanosheets Coated with C:H:N:O Plasma Polymer
PublikacjaThe physicochemical and mechanical properties of thin and freestanding heavy boron-doped diamond (BDD) nanosheets coated with a thin C:H:N:O plasma polymer were studied. First, diamond nanosheets were grown and doped with boron on a Ta substrate using the microwave plasma-enhanced chemical vapor deposition technique (MPECVD). Next, the BDD/Ta samples were covered with nylon 6.6 to improve their stability in harsh environments and...
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Reactions of methyl radicals with silica supported silver nanoparticles in aqueous solutions
PublikacjaSilica supported silver nanoparticles (Ag°–SiO2 –NCs, NCs=nanocomposites) suspended in aqueous solutions are efficient catalysts for the dimerization of methyl radicals to produce ethane, while bare silica is quite inert towards the interaction with methyl radicals. In the presence of small amounts of ethanol adsorbed on the SiO2 surface, the reaction path with methyl radicals is changed and methane is formed as the major product.
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Control of mass concentration of reagents by sound in a gas with nonequilibrium chemical reactions
PublikacjaThe weakly nonlinear dynamics of a chemically reacting gas is studied. Nonlinear interaction of acoustic and nonacoustic types of motion are considered. We decompose the base equations using the relationships of the gas-dynamic perturbations specific for every type of motion. The governing equation for the mass fraction of a reagent influenced by dominating sound is derived and discussed. The conclusions concern the equilibrium...
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Modelling of Geared Multi-Rotor System
PublikacjaIn the paper the method of modelling a speed-varying geared rotor system is presented. The proposed approach enables us to obtain an accurate low-order lumped parameter representation of the investigated system. The final model consists of reduced modal models of an undamped beam/torsional shaft system as well as a spatially lumped model of other linear and nonlinear phenomena including gear mesh interaction.
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Analytical Techniques Used in Monitoring of Atmospheric Air Pollutants
PublikacjaThe air pollution monitoring is one of the most pressing environmental problems today. The paper describes common air pollutants, their interaction and impact on the environment, and classifies the techniques and methods applied in air studies. Furthermore, the review characterizes the selected collection and sampling techniques used for gas sample analysis. Finally, the schematic diagrams of typical designs of systems applied...
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The adiabatic potentials of low-lying electronic states of the NaRb molecule
PublikacjaAdiabatic potential energy curves and spectroscopic constants have been calculated for the NaRb molecule. The results of ten states of the symmetry Σ+, six states of the symmetry Π, and two states of the symmetry Δ are obtained by the nonrelativistic quantum chemical method used with pseudopotentials describing the interaction of valence electrons with atomic cores. Analysis is based on a comparison with the results of other theoretical...
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On a Method of Efficiency Increasing in Kaplan Turbine
PublikacjaThis paper presents a method of increasing efficiency in Kaplan-type turbine. The method is based on blade profile optimisation together with modelling the interaction between rotor and stator blades. Loss coefficient was chosen as the optimisation criterion, which is related directly to efficiency. Global optimum was found by means of Genetic Algorithms, and Artificial Neural Networks were utilised for approximations to reduce...
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PHYSICAL MODELLING OF GEOTECHNICAL STRUCTURES IN PORTS AND OFFSHORE
PublikacjaThe physical modelling of subsoil behaviour and soil-structure interaction is essential for the proper design of offshore structures and port infrastructure. A brief introduction to such modelling of geoengineering problems is presented and some methods and experimental devices are described. The relationships between modelling scales are given. Some examples of penetration testing results in centrifuge and calibration chamber...
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Kerogen to bitumen transformation with respect to host rock environment
PublikacjaResearch focuses on analyzing the role of rock constituents in kerogen transformation. It includes mineral and organic matter characterization, kerogen and bitumen isolation, quantification, and determination of the critical factors of transformation ratio concerning generating mobile versus less mobile hydrocarbons. The results indicate that the ratio mainly depends on the distribution and type of kerogen in the basin, and secondly...
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User interface prototyping. Techniques, methods and tools
PublikacjaCurrently, for interactive applications their usability and ergonomics of the user interface (UI) are critical factors for achieving users' acceptance.
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Application of COSMO-RS-DARE as a Tool for Testing Consistency of Solubility Data: Case of Coumarin in Neat Alcohols
PublikacjaCoumarin is a naturally occurring lactone-type benzopyrone with various applications in the pharmaceutical, food, perfume, and cosmetics industries. This hydrophobic compound is poorly soluble in water but dissolves well in protic organic solvents such as alcohols. Despite the extensive use of coumarin, there are only a few reports documenting its solubility in organic solvents, and some reported data are incongruent, which...
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Yade-open DEM: an open-source software using a discrete element methodto simulate granular material
PublikacjaPurpose - YADE-OPEN DEM is an open source software based on the Discrete Element Method which uses object oriented programming techniques. The paper describes the softwarearchitecture.Design/methodology/approach - The DEM chosen uses position, orientation, velocity and angular velocity as independent variables of simulated particles which are subject to explicit leapfrog time-integration scheme (Lagrangian method). The three-dimensional...
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Study on Polymer Elements for Mitigation of Earthquake-Induced Pounding Between Buildings in Complex Arrangements
PublikacjaPounding between neighboring structures during seismic events has been revealed as one of the most commonly observed reasons for severe damage or even total collapse of the adjacent buildings. Therefore, pounding effects have recently become an issue of great interest of many numerical and experimental investigations in many earthquake-prone regions of the world. It has also been observed that the differences in dynamic characteristics...
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Dynamics of Opposing Polymer Brushes: A Computer Simulation Study
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Growth of polymer brushes by “grafting from” via ATRP – Monte Carlo simulations
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Macromolecular Templates for Synthesis of Inorganic Nanoparticles
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Aggregation of nonionic surfactants in imidazolium ionic liquids
PublikacjaMicellar aggregation of surfactants in aqueous solutions has been described in terms of the balance between dispersive interactions of the hydrocarbon part of the amphiphilic molecule, and the hydration and electrostatic repulsive effects of hydrophilic head group. Changing the interactions by replacing water with another polar solvent, such as amides or glycols, has been studied to a smaller extent (Singh, Saleem et al. 1980;...
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Hydrogen Bonds in Blends of Poly(N-isopropylacrylamide), Poly(N-ethylacrylamide) Homopolymers, and Carboxymethyl Cellulose
PublikacjaRecently, it was reported that the physical crosslinking exhibited by some biopolymers could provide multiple benefits to biomedical applications. In particular, grafting thermoresponsive polymers onto biopolymers may enhance the degradability or offer other features, as thermothickening behavior. Thus, different interactions will affect the different hydrogen bonds and interactions from the physical crosslinking of carboxymethyl...
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Recent advances in compatibilization strategies of wood-polymer composites by isocyanates
PublikacjaWood-polymer composites technologies are gaining more and more attention in the scientific community, positively affecting the increase in their industrial applications, for example, automotive, building, 3D printing, etc. Many research works are focused on the improvement in matrix–lignocellulosic filler interactions to produce highly filled composites with satisfying performance properties. In this field of research, using isocyanates...
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Hybrid quantum-classical approach for atomistic simulation of metallic systems
PublikacjaThe learn-on-the-fly (LOTF) method [G. Csanyi et al., Phys. Rev. Lett. 93, 175503 (2004)] serves to seamlessly embed quantum-mechanical computations within a molecular-dynamics framework by continual local retuning of the potential's parameters so that it reproduces the quantum-mechanical forces. In its current formulation, it is suitable for systems where the interaction is short-ranged, such as covalently bonded semiconductors....
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Static load test on concrete pile – instrumentation and results interpretation
PublikacjaFor some time (since 8-10 years in Poland) a special static load tests on instrumented piles are carried out. Such studies are usually of a scientific nature and provide detailed quantitative data on the load transfer into the ground and characteristics of particular soil layers interaction with a pile shaft and pile base. Deep knowledge about the pile-subsoil interaction can be applied for a various design purposes, e.g. numerical...
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Enhancing environmental literacy through urban technology- based learning. The PULA app casebased learning. The PULA app case
PublikacjaThis study addresses the need to enhance environmental literacy, focusing on urban adults through mobile applications, based on the example of PULA app that engages early adopters in gamified pro- environmental activities, offering insights into informal learning. Grounded in 'urban pedagogy,' the study combines semi-structured interviews with 17 application testers and quantitative data analysis, unveiling motivations, user feedback,...
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Preparation and Properties of Thermoplastic Polyurethane Composites Filled with Powdered Buckwheat Husks
PublikacjaBio-based fillers for the polymer composites are still interesting from the scientific and industrial point of view, due to their low cost and renewable nature. In this work partially green composites were obtained by the mixing of thermoplastic poly(ester-urethane) with the unmodified and modified (by acetylation) grinded buckwheat husks. Obtained biocomposites were characterized in the terms of their chemical structure (FTIR),...
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Modified Peptide Molecules As Potential Modulators of Shelterin Protein Functions; TRF1
PublikacjaIn this work, we present studies on relatively new and still not well-explored potential anticancer targets which are shelterin proteins, in particular the TRF1 protein can be blocked by in silico designed "peptidomimetic" molecules. TRF1 interacts directly with the TIN2 protein, and this protein-protein interaction is crucial for the proper functioning of telomere, which could be blocked by our novel modified peptide molecules....
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Static Load Test on Instrumented Pile – Field Data and Numerical Simulations
PublikacjaFor some time (since 8-10 years in Poland) a special static load tests on instrumented piles are carried out. Such studies are usually of a scientific nature and provide detailed quantitative data on the load transfer into the ground and characteristics of particular soil layers interaction with a pile shaft and pile base. Deep knowledge about the pile-subsoil interaction can be applied for a various design purposes, e.g. numerical...