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Search results for: DYNAMICS ANALYSIS
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Molecular dynamics simulations reveal the balance of forces governing the formation of a guanine tetrad—a common structural unit of G-quadruplex DNA
PublicationG-quadruplexes (G4) are nucleic acid conformations of guanine-rich sequences, in which guanines are arranged in the square-planar G-tetrads, stacked on one another. G4 motifs form in vivo and are implicated in regulation of such processes as gene expression and chromosome maintenance. The structure and stability of various G4 topologies were determined experimentally; however, the driving forces for their formation are not fully...
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Analysis of the Impact of Charging Electric Cars on the Power System Load
PublicationThe paper presents ways of integrating electric cars with the power system. In connection with this, daily load curves in the average working day have been developed in the G2V (Grid-to-Vehicle) and V2G (Vehicle-to-Grid) variants. The G2V solution consists in unidirectional energy flow from the power system to a vehicle’s battery. The V2G solution consists in bi-directional energy exchange between the power system and electric...
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Formulation of Time-Fractional Electrodynamics Based on Riemann-Silberstein Vector
PublicationIn this paper, the formulation of time-fractional (TF) electrodynamics is derived based on the Riemann-Silberstein (RS) vector. With the use of this vector and fractional-order derivatives, one can write TF Maxwell’s equations in a compact form, which allows for modelling of energy dissipation and dynamics of electromagnetic systems with memory. Therefore, we formulate TF Maxwell’s equations using the RS vector and analyse their...
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Designing Particle Kalman Filter for Dynamic Positioning
PublicationThe article presents a comparative analysis of two variants of the Particle Kalman Filter designed by using two different ship motion models. The first filter bases only on the kinematic model of the ship and can be used in many types of vehicles, regardless of the vehicle dynamics model. The input value to the filter is the noisy position of the ship. The second filter makes use of the kinematic and dynamic models of the moving...
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Obliczeniowa dynamika płynów w analizie zagadnień smarowaniahydrodynamicznego = CFD in analysis of hydrodynamic lubrication
PublicationW pracy przedstawiono wybrane problemy związane z wykorzystaniem obliczeniowej dynamiki płynów (ang. CFD - Computational Fluid Dynamics)do obliczeń łożysk hydrodynamicznych. Omówione zostało zagadnienie przyjmowania rodzaju przepływu w analizie łożyska oraz przyjmowania warunków brzegowych dotyczących wymiany ciepła oraz problem zbieżności obliczeń.
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Modeling and Evaluation of Electric Treeing Phenomena in Polymeric Cable Insulation
PublicationThis paper investigates the treeing phenomenon in polymeric materials such as crosslinked polyethylene (XLPE) that is widely used in medium and high voltage power cables as primary insulation. The modeling of electrical tree growth in the insulation from its initiation to breakdown is significant research work that illustrates the discharge dynamics and its impact on aging process in polymeric insulation. This study utilizes pulse...
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Human factors in nuclear power engineering in Polish conditions
PublicationThe paper “Human factors in nuclear power engineering in polish conditions” focuses on analysis of dynamics of preparing polish society to build first nuclear power plant in XXI century in Poland. Authors compare experience from constructing nuclear power plant Sizewell B (Great Britain) and Sizewell C, which is in preparation phase with polish nuclear power program. Paper includes aspects e.g. of creating nuclear safety culture...
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Influence of User Mobility on System Loss and Depolarization in a BAN Indoor Scenario
PublicationIn this article, an analysis of system loss and depolarization in body area networks (BANs) for body-toinfrastructure (B2I) communications based on a measurement campaign in the 5.8 GHz band in an indoor environment is performed. Measurements were performed with an off-body antenna transmitting linearly polarized signals and dual-polarized receiving antennas carried by the user on the body. A normal distribution with a mean of...
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Designing learning spaces through international and interdisciplinary collaborative design studio: The case of engineer architects and pedagogic students
PublicationThe study explores the dynamics and outcomes of an international interdisciplinary design studio focusing on innovative learning spaces. Conducted over two years between students of Faculty of Architecture at Gdansk Tech and pedagogic students from Kibbutzim College in Tel Aviv, this design-based study examines the contributions of unique educational program to student learning, the evolution of the design process, collaboration,...
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Comparative molecular modelling of biologically active sterols
PublicationMembrane sterols are targets for a clinically important antifungal agent – amphotericin B. The relatively specific antifungal action of the drug is based on a stronger interaction of amphotericin B with fungal ergosterol than with mammalian cholesterol. Conformational space occupied by six sterols has been defined using the molecular dynamics method to establish if the conformational features correspond to the preferential interaction...
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Self-Organization in Multi-Agent Systems Based on Examples of Modeling Economic Relationships between Agents
PublicationThe goal of the research was to observe and analyze self-organization patterns in Multi-Agent Systems (MAS) by modeling basic economic relationships between agents forming a closed loop of relations necessary for their survival. The paper describes a worked-out MAS including an example of a production cycle and used economic rules. A special focus is put on behavior rules and decision systems of an individual agent such as: product...
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Human Factors in Nuclear Power Engineering in Polish Conditions
PublicationThe paper “Human factors in nuclear power engineering in polish conditions” focuses on analysis of dynamics of preparing polish society to build fi rst nuclear power plant in XXI century in Poland. Authors compare experience from constructing nuclear power plant Sizewell B (Great Britain) and Sizewell C, which is in preparation phase with polish nuclear power program. Paper includes aspects e.g. of creating nuclear safety culture and...
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Wideband Channel Measurements for Polarised Indoor Off-Body Communications
PublicationThis paper presents the initial results of wideband channel measurements for polarised off-body communication at 5.8 GHz, in an indoor environment. Channel Impulse Response measurements were performed simultaneously for two orthogonal polarisations of the wearable antenna, and repeated for vertical and horizontal orientations of the off-body one. Four types of measurement scenarios were considered in order to investigate the influence...
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System Loss Model for Body Area Networks in Room Scenarios
PublicationThis paper presents an analysis of system loss in Body Area Networks for room scenarios, based on a wideband measurement campaign at 5.8 GHz. The measurements were performed with a fixed antenna transmitting vertically and horizontally polarised signals, while the user wears dualpolarised antennas. The average system losses in co- and crosspolarised channels are 41.4 and 42.6 dB for vertically polarised transmitted signals and...
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Optimization of the femtosecond laser impulse for excitation and the Spin-Orbit mediated dissociation in the NaRb Dimer
PublicationWe study the dynamics of multiple coupled states under the influence of an arbitrary time-dependent external field to investigate the femtosecond laser-driven excitation and the spin-orbit mediated dissociation in the NaRb dimer. In this process, the dimer is excited from the ground triplet state 1^3Sigma+ to the 1^3Pi state using the femtosecond laser impulse and the spin-orbit coupling between the 1^3Pi and 2^1Sigma+ states results...
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Estimation of nonstructural stiffness in instrumented steel frames
PublicationLateral stiffness of nonstructural components may significantly influence the initial stiffness of the entire structure and consequently alter its dynamic characteristics. While methods for simulating structural members are well-established, approaches for modeling nonstructural components that also participate in seismic response are notably less developed. In this paper a simplified, physically-intuitive approach for estimating...
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Typology of low developed non-metropolitan sub-regions in the European Union
PublicationThis paper shows a typology of 319 NUTS-3 sub-regions in the European Union. The selected sub-regions are non-metropolitan sub-regions, whose gross domestic product per capita in 2011 was below 75% of the EU average. The objective of this typology was to recognize diversity in the examined sub-regions as a starting point for the selection of areas for future comparative research. The typology takes into account 24 variables related...
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The retrofitting of ships by applying retractable bow hydrofoils: a case study
PublicationIncreasing environmental requirements and a relatively long ship life of 30 years mean more attention is needed to retrofit existing ships. One possibility is using hydrofoils to reduce the ship’s resistance and improve comfort and safety in rough sea conditions. This study investigates the influence of retractable bow hydrofoils on the seakeeping performance and operational conditions of a selected case study vessel (V-shaped...
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"Car-Parrinello molecular dynamics" jako kluczowe narzędzie informatyczne w badaniach syntezy cienkich warstw diamentowych metodą PA CVD
PublicationPraca omawia zastosowanie metody Car-Parrinello MD w symulacji procesu wzrostu cienkich warstw diamentowych w metodzie PAC VD.
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Current understanding of the effects of inspiratory resistance on the interactions between systemic blood pressure, cerebral perfusion, intracranial pressure, and cerebrospinal fluid dynamics
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Interactions of N-alkyl-N-methylmorpholinium based ionic liquids with acetonitrile studied by density and velocity of sound measurements and molecular dynamics simulations
PublicationMorpholinium-based ionic liquids (ILs) and their mixtures with polar co-solvents are an interesting class of emerging electrolytes in electrochemistry that is relatively poorly studied. In this work, densities and sound velocities of four ILs, N-ethyl-N-methylmorpholinium tetrafluoroborate, N-butyl-N-methylmorpholinium tetrafluoroborate, N-octyl-N-methylmorpho-linium tetrafluoroborate and N-decyl-N-methylmorpholinium tetrafluoroborate...
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Mechanism of Binding of Antifungal Antibiotic Amphotericin B to Lipid Membranes: An Insight from Combined Single-Membrane Imaging, Microspectroscopy, and Molecular Dynamics
PublicationAmphotericin B is a lifesaving polyene antibiotic used in the treatment of systemic mycoses. Unfortunately, the pharmacological applicability of this drug is limited because of its severe toxic side effects. At the same time, the lack of a well-defined mechanism of selectivity hampers the efforts to rationally design safer derivatives. As the drug primarily targets the biomembranes of both fungi and humans, new insights into the...
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An interval estimator for chlorine monitoring in drinking water distribution systems under uncertain system dynamics, inputs and chlorine concentration measurement errors
PublicationThe design of an interval observer for estimation of unmeasured state variables with application to drinking water distribution systems is described. In particular, the design process of such an observer is considered for estimation of the water quality described by the concentration of free chlorine. The interval observer is derived to produce the robust interval bounds on the estimated water quality state variables. The stability...
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Surface diffusion and cluster formation of gold on the silicon (111)
PublicationPurpose: Investigation of the gold atoms behaviour on the surface of silicon by molecular dynamics simulation method. The studies were performed for the case of one, two and four atoms, as well as incomplete and complete filling of gold atoms on the silicon surface. Design/methodology/approach: Investigations were performed by the method of molecular dynamics simulation using the Large-scale Atomic/Molecular Massively Parallel...
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Robust asymptotic super twisting sliding mode observer for non-linear uncertain biochemical systems
PublicationThe problem of state estimation (reconstruction of the state vector) for a given class of biochemical systems under uncertain system dynamics has been addressed in this paper. In detail, the bioreactor at a water resource recovery facility represents the considered biochemical systems. The biochemical processes taking place in the bioreactor have been modelled using an activated sludge model. Based on this model, an appropriate...
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Sektor usług wiedzochłonnych oraz jego dynamika i struktura zatrudnienia w krajach Unii Europejskiej
PublicationNiniejszy artykuł dotyczy sektora usług wiedzochłonnych oraz jego dynamiki i struktury zatrudnienia. W części teoretycznej opracowania przedstawiono zagadnienia definicyjne oraz klasyfikacyjne związane z sektorem usług wiedzochłonnych, a także omówiono kwestie wiedzochłonności tego sektora. W części badawczej zaprezentowano analizę dynamiki i struktury zatrudnienia w sektorach usług wiedzochłonnych krajów należących do Unii Europejskiej....
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Analysis of pounding between adjacent buildings founded on different soil types
PublicationEarthquake-induced pounding was experienced in many previous earthquakes and it was found to be a critical issue. This study investigates the effect of pounding between buildings founded on the same and different soil types. Three 3-D buildings with 4, 6 and 8 storeys were considered in this study. Three pounding scenarios were taken into account, i.e. pounding between 4-storey and 6-storey buildings, between 4-storey and 8-storey...
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Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublicationDeep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods are at the forefront of deciphering their structure and dynamics. Type IV DESs, composed of metal chloride and a hydrogen bond donor, are among the less studied systems when it comes to their understanding at a molecular level. An important example...
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ANALIZA CECH HYDRO-AERODYNAMICZNYCH BEZZAŁOGOWEGO POJAZDU NAWODNO-POWIETRZNEGO Z WYKORZYSTANIEM EFEKTU PRZYPOWIERZCHNIOWEGO
PublicationW artykule przedstawiono problematykę badań dotyczących opracowania demonstratora technologii bezzałogowego pojazdu nawodno-powietrznego z wykorzystaniem efektu przypowierzchniowego. Opisano podstawowe problemy badawcze związane z analizą cech hydro-aerodynamicznych pojazdu. Opisano przedmiot badań, bezzałogowy pojazd nawodno-powietrzny typu USV-UAV-WIG. Opisano metodę badań. Przeprowadzono wstępną analizę osiągów i zachowania...
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Revealing dynamic changes of the volatile profile of food samples using PTR–MS
PublicationVolatile compounds carry valuable information regarding the properties of foodstuffs. Volatiles emitted from food can be used as, for example, indicators of quality, shelf-life, or authenticity. A better understanding of the multitude of transformations which occur during food processing could facilitate the optimisation of production, increase the desirability of food products, and also their wholesomeness. However, as some of...
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Flow through a prosthetic mechanical aortic valve: Numerical model and experimental study
PublicationThis research presents a numerical model dedicated for virtual patient diagnostics in the field of synthetic valve implantation. The model operates based on computational fluid dynamics solver with implemented rigid body motion solver. Characteristic indicators related to the prosthetic valve were determined to assess the correctness of cardiac system operation after implantation. A novel approach for dynamic time discretization...
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Dissolution of Nb-doped hydroxyapatite prepared via low-temperature mechanochemical method: Spectroscopy studies
PublicationCalcium phosphate glass ceramics with nominal hydroxyapatite stoichiometry doped with niobium were synthesized using simple as well as low-temperature mechanochemical method and then in the form of compressed pellet were submitted to the static dissolution process in distilled water for one month. The results of structural analysis, performed mainly on the base of spectroscopic methods such as: infrared absorption spectroscopy,...
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Generic emergence of classical features in quantum Darwinism
PublicationQuantum Darwinism posits that only specific information about a quantum system that is redundantly proliferated to many parts of its environment becomes accessible and objective, leading to the emergence of classical reality. However, it is not clear under what conditions this mechanism holds true. Here we prove that the emergence of classical features along the lines of quantum Darwinism is a general feature of any quantum dynamics:...
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Application of Artificial Intelligence by Poland’s Public Administration
PublicationThis chapter presents an overview and analysis of artificial intelligence-driven solutions created and implemented by or with the support of Poland’s central public administration (PA). After discussing governance of AI-related issues, we analyze a set of examples of AI innovation to map the actors and their relations within the ecosystem, describe the field where innovation in AI for PA occurs, and highlight the potentialities...
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Redundant information encoding in QED during decoherence
PublicationBroadly understood decoherence processes in quantum electrodynamics, induced by neglecting either the radiation [L. Landau, Z. Phys. 45, 430 (1927)] or the charged matter [N. Bohr and L. Rosenfeld, K. Danske Vidensk. Selsk, Math.-Fys. Medd. XII, 8 (1933)], have been studied from the dawn of the theory. However, what happens in between, when a part of the radiation may be observed, as is the case in many real-life situations, has...
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Vessel Energy Requirement Prediction from Acceleration Stage Towing Tests on Scale Models
PublicationOne of the most crucial tasks for naval architects is computing the energy required to meet the ship’s operational needs. When predicting a ship’s energy requirements, a series of hull resistance tests on a scale model vessel is carried out in constant speed stages, while the acceleration stage measurements are ignored. Another important factor in seakeeping analysis is the ship’s hydrodynamic added mass. The second law of dynamics...
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Footbridges. Dynamic Design – Selected Problems
PublicationModern footbridges create challenge in esthetic and structural design. Breaking the proven canons is a recipe for architectural success. However esthetic form has to be also a functional pedestrian bridge. Therefore a good FEM modeling is a key element in engineering part of design. The paper presents selected problems related to the modeling of the dynamic construction of footbridges. Several basic dynamic problems concerning...
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A prototypical non-malignant epithelial model to study genome dynamics and concurrently monitor micro-RNAs and proteins in situ during oncogene-induced senescence
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Positive and negative feedback loops in nutrient phytoplankton interactions related to climate dynamics factors in a shallow temperate estuary (Vistula Lagoon, southern Baltic)
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Biogeochemical and mineralogical effects of Fe-P-S dynamics in sediments of continental shelf sea: Impact of salinity, oxygen conditions, and catchment area characteristics
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Dynamics of changes in iron concentration and total iron binding capacity in blood plasma of goat kids during their first month of life (Short Communication)
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The Product of Matrix Metalloproteinase Cleavage of Doxorubicin Conjugate for Anticancer Drug Delivery: Calorimetric, Spectroscopic, and Molecular Dynamics Studies on Peptide–Doxorubicin Binding to DNA
PublicationMatrix metalloproteinases (MMPs) are extracellular matrix degradation factors, promoting cancer progression. Hence, they could provide an enzyme-assisted delivery of doxorubicin (DOX) in cancer treatment. In the current study, the intercalation process of DOX and tetrapeptide-DOX, the product of the MMPs' cleavage of carrier-linked DOX, into dsDNA was investigated using stationary and time-resolved fluorescence spectroscopy, UV-Vis...
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Multi-GPU-powered UNRES package for physics-based coarse-grained simulations of structure, dynamics, and thermodynamics of protein systems at biological size- and timescales
PublicationCoarse-grained models are nowadays extensively used in biomolecular simulations owing to the tremendous extension of size- and time-scale of simulations. The physics-based UNRES (UNited RESidue) model of proteins developed in our laboratory has only two interaction sites per amino-acid residue (united peptide groups and united side chains) and implicit solvent. However, owing to rigorous physics-based derivation, which enabled...
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What drives sustainable investing? Adoption determinants of sustainable investing exchange-traded funds in Europe
PublicationDespite the growing interest in various topics related to sustainable (ESG) investing, some issues remain understudied, such as the determinants of their utilization at the macro level. This paper contributes to the state of knowledge two-directionally. First, it shows the development of sustainable investing exchange-traded funds (ETFs) in European countries. Second, it traces the significant determinants of adopting sustainable...
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Navigating the complexities of altruistic helping in Nonprofit Organizations: An analysis of Benefits, Burdens and managerial challenges
PublicationWe investigate how individuals cope with side effects of altruistic behaviour at work, i.e. genuine helping behaviour which is not part of any job description, and what role the organizational context plays in these dynamics. Employing simultaneous dyadic interviews, we show how employees of non-profit organizations cope with undesired effects of altruistic help. Our data provides evidence of unintended outcomes for the individual...
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On the Structure of Time in Computational Semantics of a Variable-Step Solver for Hybrid Behavior Analysis
PublicationHybrid dynamic systems combine continuous and discrete behavior. Often, computational approaches are employed to derive behaviors that approximate the analytic solution. An important part of this is the approximation of differential equation behavior by numerical integration. The accuracy and computational efficiency of the integration usually depend on the complexity of the method and its implicated approximation errors, especially...
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PRINCIPLES OF ARTIFICIAL INTELLIGENCE APPLICATION IN CONTROL OF THE ENTERPRISE
PublicationThe implementation of the tasks of evaluating historical financial information, the control or audit of business activities are based primarily on professional judgments about the object of study of a professional accountant or auditor. Their findings are drawn on the basis of the study of documents, the use of audit evidence, risk assessment, etc. There is always a probability (and rather high) that professional judgment will...
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Unique agreement of experimental and computational infrared spectroscopy: a case study of lithium bromide solvation in an important electrochemical solvent
PublicationInfrared (IR) spectroscopy is a widely used and invaluable tool in the studies of solvation phenomena in electrolyte solutions. Using state-of-the-art chemometric analysis of a spectral series measured in a concentration-dependent manner, the spectrum of the solute-affected solvent can be extracted, providing a detailed view of the structural and energetic states of the solvent molecules influenced by the solute. Concurrently,...
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A New Approach to Assess Quality of Motion in Functional Task of Upper Limb in Duchenne Muscular Dystrophy
Publication(1) Background: This study presents a new method for the motion quantitative analysis of Duchenne muscular dystrophy patients (DMD) performing functional tasks in clinical conditions. (2) Methods: An experimental study was designed to define how different levels of external mass (light and heavy) influence the performance of the upper limbs of a tested DMD and reference subject (RS) during horizontal movements (level of the waist)...
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Spectral Finite Element Method in Condition Monitoring and Damage Detection
PublicationIt is well known that the dynamic behaviour of engineering structures may carry very important and crucial information that can be further used for the assessment of their condition as well as detection of any damage induced. The current interest in monitoring techniques based on the propagation of guided elastic waves requires that numerical techniques used for modelling the phenomena associated must shift into the realm of high...