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Search results for: BOND STIFFNESS
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Resonances and Dissociative Electron Attachment in HNCO
PublicationIn a combined experimental and theoretical study, we probe the dissociative electron attachment in isocyanic acid HNCO. The experimental absolute cross section for the NCO− fragment shows a sharp onset and fine structures near the threshold. The autoionizing state responsible for the dissociative attachment is found in both the R-matrix calculation and using analytic continuation in the coupling constant. The involved A' resonance...
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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...
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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...
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Residual stresses distribution in long seam-welded offshore catenary riser of high-manganese steel
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(1H-Pyrazole-[kappa]N)bis(tri-tert-butoxysilanethiolato-[kappa]2O,S)cadmium
PublicationThe CdII atom in the title complex, [Cd(C12H27O3SSi)2-(C3H4N2)], is penta-coordinated by two O and two S atoms from the O,S-chelating silanethiolate residue and one pyrazole N atom in a distorted trigonal-bipyramidal geometry. The pyrazole ligand forms an intramolecular N-H---O hydrogen bond.
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The paired-domination and the upper paired-domination numbers of graphs
PublicationIn this paper we obtain the upper bound for the upper paired-domination number and we determine the extremal graphs achieving this bound. Moreover we determine the upper paired- domination number for cycles.
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Filtering EBG Structures Implemented in Coplanar Waveguide Feedline of Planar Slot Antenna
PublicationA novel compact dual-band slot antenna fed by a coplanar waveguide (CPW) incorporating electromagnetic band gap (EBG) structures has been proposed. At first, a classic wideband slot antenna fed by a CPW, dedicated to work in 2 ÷ 18 GHz band, has been designed. Subsequently, by adding simple EBG filtering structures into a CPW feedline, a dual-band performance ranging from 2.5 to 5.3 GHz and from 13.5 to 16.3 GHz, with the voltage...
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A new finite element with variable Young's modulus
PublicationThe Finite Element Method (FEM) is a numerical technique that is well-established in the field of engineering. However, in biological sciences, it is justtaking its first steps. Bone tissue is an example of biological material which isexposed to high loads in its natural environment. Practically every movementof the body results in changing stress levels in the bone. Nature copes with thisvery well but when human intervention is...
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Energy efficient indoor localisation for narrowband internet of things
PublicationThere are an increasing number of Narrow Band IoT devices being manufactured as the technology behind them develops quickly. The high co-channel interference and signal attenuation was seen in edge Narrow Band IoT devices make it challenging to guarantee the service quality of these devices. To maximize the data rate fairness of Narrow Band IoT devices, a multi-dimensional indoor localization model is devised, consisting of...
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Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid
PublicationThe 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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The experimental identification of the dynamic coefficients of two hydrodynamic journal bearings operating at constant rotational speed and under nonlinear conditions.
PublicationHydrodynamic bearings are commonly used in ship propulsion systems. Typically, they are calculated using numerical or experimental methods. This paper presents an experimental study through which it has been possible to estimate 24 dynamic coefficients of two hydrodynamic slide bearings operating under nonlinear conditions. During the investigation, bearing mass coefficients are identified by means of a newly developed algorithm....
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Lignin-based carbon fibers for renewable and multifunctional lithium-ion battery electrodes
PublicationLignin-based carbon fibers (LCFs) from the renewable resource softwood kraft lignin were synthesized via oxidative thermostabilization of pure melt-spun lignin and carbonization at different temperatures from 1000°C to 1700°C. The resulting LCFs were characterized by tensile testing, scanning electron microscopy (SEM), X-ray diffraction (XRD) and confocal Raman spectroscopy. The microstructure is mainly amorphous carbon with some...
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Method of Skeletal System Modelling
PublicationAn original method of skeletal system modelling is presented in detail. Using DICOM images obtained from CT and PET tests, shell models of nine bones were created (humerus, radius, ulna, scapula, clavicle, femur, tibia, fibula, pelvis). Two methods of bone behaviour are also proposed, the first method treating the bone as a solid structure and the second method treating the bone as a complex porous structure. The behaviour of model...
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Synthesis of Combretastatin A-4 Analogs and their Biological Activities
PublicationCombretastatin A-4 (CA-4) is a natural product, which consists of two phenyl rings, linked by an ethylene bridge. CA-4, inhibitor of polymerization of tubulin to microtubules, possesses a strong antitumor and anti-vascular properties both in vitro and in vivo. Previous studies showed that disodium phosphate salt of CA-4, a water-soluble prodrug is well tolerated at therapeutically useful doses. However, it should be noted that...
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Novel “acid tuned” deep eutectic solvents based on protonated L-proline
PublicationThe paper presents new types of deep eutectic solvents (DESs) based on L-proline protonated using three different acids (hydrochloric, sulfuric and phosphoric)and playing the role of a hydrogen bond acceptor(HBA). Glucose and xylitol were used as hydrogen bond donors (HBD). A series of deep eutectic solvents with various mole ratios were obtained for the systems L-proline: glucose and L-proline: xylitol. Density, melting point,...
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Investigation of the structural and thermal properties of aluminum-rich Ca–Al–Si–O–N glasses
PublicationIn this paper, we investigate the structure and thermal properties of aluminum-rich transparent Ca–Al–Si–O–N glasses. The obtained glasses were prepared by a traditional melt-quenching technique at 1650 °C using AlN as the nitrogen source. The obtained glasses have a nAl/nSi>1 and contain up to 17 eq.% of N. The structure of the glasses was characterized by X-ray diffraction, X-ray photoelectron spectroscopy, infrared, and Raman...
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Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes
PublicationWe present a series of amino- and aryl(diphosphino)boranes R2PB(R’’)PR’2, where R2P, R’2P = tBu2P, tBuPhP, Ph2P, Cy2P, and R’’ = iPr2N, Ph, which were obtained via the metathesis reaction of iPr2NBBr2 or PhBBr2 with selected lithium phosphides. The structures of isolated diphosphinoboranes were characterized in the solid state and in solution by means of X-ray diffraction and NMR spectroscopy, respectively. The utility of these...
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Conjugates of Ciprofloxacin and Levofloxacin with Cell-Penetrating Peptide Exhibit Antifungal Activity and Mammalian Cytotoxicity
PublicationSeven conjugates composed of well-known fluoroquinolone antibacterial agents, ciprofloxacin (CIP) or levofloxacin (LVX), and a cell-penetrating peptide transportan 10 (TP10-NH2) were synthesised. The drugs were covalently bound to the peptide via an amide bond, methylenecarbonyl moiety, or a disulfide bridge. Conjugation of fluoroquinolones to TP10-NH2 resulted in congeners demonstrating antifungal in vitro activity against human...
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ESTYMACJA WSPÓŁCZYNNIKÓW SZTYWNOŚCI ZAMOCOWANIA PODATNEGO PRZEDMIOTU OBRABIANEGO NA STOLE FREZARKI
PublicationW pracy przedstawiono metodę estymacji współczynników sztywności Elementów Sprężystych (ES) modelujących zamocowanie podatnego wielkogabarytowego przedmiotu obrabianego na stole frezarki. Proponowana metoda bazuje na algorytmie optymizacji za pomocą roju cząstek (ang. Particle Swarm Optimization), który pozwala na uzyskanie dobrej zgodności (aktualizacji) modelu Metody Elementów Skończonych (MES) z modelem pochodzącym z identyfikacji...
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Structural and Dynamic Properties of Water within the Solvation Layer around Various Conformations of the Glycine-based Polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighboring space around these molecules were investigated. It was found that water forms a well-defined layer—the first solvation shell—around the peptide molecule, and thickness of this layer is independent of the peptide structure and is equal to approximately 0.28 nm. Within...
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Potential Energy Curves of Diatomic Alkali Molecules Datasets
PublicationThe datasets described in this article contain potential energy curves for several diatomic systems. The data was obtained via high-performance computing using MOLPRO, a system of ab initio programs for advanced molecular electronic structure calculations. The datasets allow to model bond lengths, energy levels, spectra and time-evolution of molecular dimers for which the data are presented.
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Selected problems of experimental investigation of dynamically loaded journal bearings
PublicationIn the paper some problems concerning relations between external bearing loadings and critical lining stresses are described for test stand with rotating load vector. According to the standard ISO 7905/1 this type of test stand, for dynamically loaded slide bearing, is recommended as a basic research unit for material testing in a complete bearing unit. The lining stress calculation results occurred being dependent on applied calculation...
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Rainscreen panels deformations mods
PublicationIn rainscreen panels designing simplified calculation models are used. For plate computation simply supported panels or panels with fixed edges are commonly used. Such approximations are subjected to large errors that lead to inefficient rainscreen panels design. In order to develop a method for determining the optimal geometry of the rainscreen panels, that would take into consideration the real stiffness of both continuous and...
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Stability and load bearing capacity of a truss with elastic braces
PublicationThe present paper is devoted to the numerical and experimental investigations of stability of a truss stiffened by elastic braces. The model of a real roof truss scaled by factor ¼ was investigated. In the research the linear buckling and non-linear static analysis of the truss shell and beam model with geometric and material non-linearity is presented. The initial imperfections were assumed in the form of the first buckling mode....
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Application of muscle model to the musculoskeletal modeling
PublicationThe purpose of this paper is to investigate new fusiform muscle models. Each of these models treats a muscle as a system composedof parts characterized by different mechanical properties. These models explain the influence of differences in the stiffness of lateral parts and the degree of muscle model discretization. Each muscle model is described by a system of differential equations and a single integro-differential equation....
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Effect of nitrogen doping on TiOxNy thin film formation at reactive high-power pulsed magnetron sputtering
PublicationThe paper is focused on a study of formation of TiOxNy thin films prepared by pulsed magnetron sputtering of metallic Ti target. Oxygen and nitrogen were delivered into the discharge in the form of reactive gases O2 and N2. The films were deposited by high-power impulse magnetron sputtering working with discharge repetition frequency f = 250 Hz at low (p = 0.75 Pa) and high (p = 10 Pa) pressure. The substrates were on floating...
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Copper(II) complexes with substituted imidazole and chlorido ligands: X-ray, UV-Vis, magnetic and EPR studies and chemotherapeutic potential
PublicationCrystal structures, UV-Vis and EPR spectra and magnetic properties of four copper(II) complexes with chloride anions and 4-methylimidazole, 2-ethylimidazole, 2-isopropylimidazole or 2-ethyl-4-methylimidazole are described. In the solid state three of the complexes are mononuclear and one complex with 2-ethylimidazole is binuclear with bridging chlorido ions. UV-Vis spectra of the methanolic solutions of the complexes show LMCT...
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Unspecified peptic ulcer as acute or chronic, without haemorrhage or perforation - Male, 55 - Tissue image [12050630013036061]
Open Research DataThis is the histopathological image of STOMACH tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Unspecified peptic ulcer as acute or chronic, without haemorrhage or perforation - Male, 55 - Tissue image [12050630013026341]
Open Research DataThis is the histopathological image of STOMACH tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Diagnosis of Damage in a Steel Tank with Self-Supported Roof through Numerical Analysis
PublicationThe safety of civil engineering structures is one of the most important issues of building industry. That is why the assessment of the damage-involved structural response has recently become of major concern to engineers. Among a number of different approaches to diagnosis of damage, the method of measuring the changes in natural frequencies is considered to be one of the most effective indicators of global damage. From the practical...
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Linking of adjacent three-storey buildings for mitigation of structural pounding during earthquakes
PublicationThe reports after major earthquakes indicate that the earthquake-induced pounding between insufficiently separated buildings may lead to significant damage or even total collapse of structures. An intensive study has recently been carried out on mitigation of pounding hazards so as to minimize the structural damages or prevent collisions at all. The aim of this paper is to investigate the effectiveness of the method when two adjacent...
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Damage Detection in the Wind Turbine Blade Using Root Mean Square and Experimental Modal Parameters
PublicationThe paper presents results of an experimental study related to a non-destructive diagnostic technique used for preliminary determination the location and size of delamination in composite coatings of wind turbine blades. The proposed method of damage detection is based on the analysis of the ten first mode shapes of bending vibrations, which correspond to displacements of rotor blades perpendicular to the rotor plane. Modal parameters...
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Probabilistic analysis of settlements under a pile foundation of a road bridge pylon
PublicationThe paper addresses the reliability change of a road bridge pile foundation due to the unpredictable increase of settlements in time. The analysis is based on the Rędziński Bridge in Wrocław, Poland, its design assumptions, and monitoring results. The bridge foundation rests on a multi-layered subsoil assumed random. The Finite Element model of the subgrade is generated in ZSoil® software. To simplify the probabilistic approach,...
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Investigation method of large-volume tire with mobile test rig
PublicationThe goal of this research is to develop the tire test method and mobile tire test rig. The test rig enables measurement of tire properties as stiffness and viscous damping in vertical direction, and tire–ground characteristics on the asphalt rigid surface. The tire-ground characteristics are measured by force and a torque measurement hub. The design, calibration and the algorithm for calculating the forces in the wheel center are...
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Comparative Study of the Mechanical Behaviour of Bitumen- and Cement-Dominated Mixtures with Reclaimed Asphalt
PublicationThe bitumen emulsion-based recycling is a commonly used maintenance treatment in the rehabilitation of low-and medium-volume roads in Europe. Nevertheless, the wide range of climatic conditions across the continent resulted in the variety of mixture concepts and the requirements being adopted for various local conditions. In this regard, the most commonly used parameter to distinguish between the main mixture concepts is bitumen...
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Bitumen Aging—Laboratory Simulation Methods Used in Practice and Selected Directions of Research on New Methods
PublicationChanges in the properties of bitumen binders that occur as a result of aging have a huge impact on the durability of products produced from them. In particular, asphalt pavements, which constitute the most common use of petroleum bitumen, are susceptible to damage resulting from the increasing stiffness of the bitumen during its life cycle. Increased stiffness of asphalt pavements reduces the pavement resistance to low-temperature...
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Predicting the peak structural displacement preventing pounding of buildings during earthquakes
PublicationThe aim of the present paper is to verify the effectiveness of the artificial neural network (ANN) in predicting the peak lateral displacement of multi-story building during earthquakes, based on the peak ground acceleration (PGA) and building parameters. For the purpose of the study, the lumped-mass multi-degree-of-freedom structural model and different earthquake records have been considered. Firstly, values of stories mass and...
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Rotational molding of polylactide (PLA) composites filled with copper slag as a waste filler from metallurgical industry
PublicationThe research work carried out so far indicates the ever wider possibilities and demand for shaping composite products in the rotational molding technology. This trend was the main reason to use waste-based filler from the metallurgical process as a filler for manufacturing polylactide (PLA)-based remolded composites. Copper slag (CS) was introduced in the single-step processing method to PLA matrix at 5, 10, 20, and 35 wt%. The...
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The relative cup-length in local Morse cohomology
PublicationLocal Morse cohomology associates cohomology groups to isolating neighborhoods of gradient flows of Morse functions on (generally non-compact) Riemannian manifolds M. We show that local Morse cohomology is a module over the cohomology of the isolating neighborhood, which allows us to define a cup-length relative to the cohomology of the isolating neighborhood that gives a lower bound on the number of critical points of functions...
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Observation of the Hydrogen Migration in the Cation-Induced Fragmentation of the Pyridine Molecules
PublicationThe ability to selectively control chemical reactions related to biology, combustion, and catalysis has recently attracted much attention. In particular, the hydrogen atom relocation may be used to manipulate bond-breaking and new bond-forming processes and may hold promise for far-reaching applications. Thus, the hydrogen atom migration preceding fragmentation of the gas-phase pyridine molecules by the H+, H2+, He+, He2+, and...
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Effect of choline chloride based natural deep eutectic solvents on aqueous solubility and thermodynamic properties of acetaminophen
PublicationIn this work, natural deep eutectic solvents (NADESs) containing choline chloride as hydrogen bond acceptor and 1,2-propanediol, malic acid and tartaric acid as hydrogen bond donors have been synthesized and applied to enhance the aqueous solubility of model sparingly water-soluble drug – acetaminophen. The results indicate that the greatest impact on the solubility of acetaminophen have deep eutectic solvents based on 1,2-propanediol...
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Absorptive Desulfurization of Model Biogas Stream Using Choline Chloride-Based Deep Eutectic Solvents
PublicationThe paper presents a synthesis of deep eutectic solvents (DESs) based on choline chloride (ChCl) as hydrogen bond acceptor and phenol (Ph), glycol ethylene (EG), and levulinic acid (Lev) as hydrogen bond donors in 1:2 molar ratio. DESs were successfully used as absorption solvents for removal of dimethyl disulfide (DMDS) from model biogas steam. Several parameters affecting the absorption capacity and absorption rate have been...
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Effects of Xanthan Gum Biopolymer on the Permeability, Odometer, Unconfined Compressive and Triaxial Shear Behavior of a Sand
PublicationBiopolymers, which are microbially induced polymers, can be used as an alternative material to improve engineering performance of soils. In this paper, a laboratory study of 0.075-1.0 mm size sand and biopolymer (i.e., xanthan gum) mixtures with various mix ratios (0%, 0.5%, 1.0%, and 1.5%) was performed. The materials, specimen preparation, and test methods are described, as are the results of a suite of permeability, odometer, unconfined...
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FEM simulation of laminate failure in the three point bending
PublicationThe paper presents a FEM simulation of failure of laminate subjected to the three point bending. The numeri-cal model is based on the equivalent single layer approach with 6-paramater non-linear shell theory kinematics. It is implemented in the non-commercial FEM code. The failure initiation is detected with the use of Tsai-Wu criterion. After the failure onset the progressive failure process is modelled through the appropriate...
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Positron binding to alkali-metal hydrides: The role of molecular vibrations
PublicationThe bound vibrational levels for J=0 have been computed for the series of alkali-metal hydride molecules from LiH to RbH, including NaH and KH. For all four molecules the corresponding potential-energy curves have been obtained for each isolated species and for its positron-bound complex (e+XH). It is found that the calculated positron affinity values strongly depend on the molecular vibrational state for which they are obtained...
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Koncepcja i analiza sensora/aktuatora piezoelektrycznego do pomiaru procesu starzenia się ludzkiej skóry
PublicationNiniejszy artykuł przedstawia nową koncepcję piezoelektrycznego sensora/aktuatora przeznaczonego do pomiaru właściwości mechanicznych tkanek miękkich a w szczególności skóry ludzkiej. Wyjaśnione jest analityczne podejście z wykorzystaniem schematu zastępczego Mason’a określającego aktuator w stanie rezonansu oraz opis metody impedancji elektromechanicznej wykorzystanej w systemie pomiarowym. Analiza z użyciem metody elementów...
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Two-Rate Based Low-Complexity Variable Fractional-Delay FIR Filter Structures
PublicationThis paper considers two-rate based structures for variable fractional-delay (VFD) finite-length impulse response (FIR) filters. They are single-rate structures but derived through a two-rate approach. The basic structure considered hitherto utilizes a regular half-band (HB) linear-phase filter and the Farrow structure with linear-phase subfilters. Especially for wide-band specifications, this structure is computationally efficient...
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Understanding the Electronic Structure and Optical Properties of Vacancy-Ordered Double Perovskite A2BX6 for Optoelectronic Applications
PublicationOver the past few years, metal halide perovskite solar cells have made significant advances. Currently, the single-junction perovskite solar cells reach a conversion efficiency of 25.7%. Perovskite solar cells with a wide band gap can also be used as top absorber layers in multi-junction tandem solar cells. We examined the dynamical and thermal stability, electronic structure, and optical features of In2PtX 6 (X = Cl, Br, and I)...
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Spawalność ferrytyczno-austenitycznej stali odpornej na korozję typu dupleks 2205 w warunkach podwodnych
PublicationPraca dotyczy problemów spawalności stali odpornej na korozję typu dupleks w warunkach spawania mokrego elektrodami otulonymi i lokalną komorą suchą. Całość rozprawy składa się z dwóch części. Część pierwsza to przegląd literatury, w którym omówiono główne problemy wynikające z przeniesienia procesu spawania pod wodę oraz sposoby minimalizowania negatywnego wpływu środowiska. Część druga jest częścią doświadczalną, zawiera tezę...
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Book Chapter in the Prime Archives in Chemistry: 2nd Edition (dissemination of knowledge)
PublicationTo cite a chapter in a book include: Jaroslaw Spychala. The CON−H….+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway. In: VSR Rajasekhar Pullabhotla, editor. Prime Archives in Chemistry: 2nd Edition. Hyderabad, India: Vide Leaf. 2022. https://doi.org/10.1155/2022/1707245