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Role of the Solvation Water in Remote Interactions of Hyperactive Antifreeze Proteins with the Surface of Ice
PublikacjaMost protein molecules do not adsorb onto ice, one of the exceptions being so-called antifreeze proteins. In this paper, we describe that there is a force pushing an antifreeze protein molecule away from the ice surface when it is not oriented with its ice-binding plane toward the ice and that this pushing force may be also present even when the protein is oriented with its ice-binding plane toward the ice. This force is absent...
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublikacjaWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Supramolecular deep eutectic solvents and their applications
PublikacjaIn recent years, the growing awareness of the harmfulness of chemicals to the environment has resulted in the development of green and sustainable technologies. The compromise between economy and environmental requirements is based on the development of new efficient and green solutions. Supramolecular deep eutectic solvents (SUPRADESs), a new deep eutectic solvent (DES) subclass characterized by inclusion properties, are a fresh...
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The application of a photopolymer material for the manufacture of machine elements using rapid prototyping techniques
PublikacjaThe paper discusses the application of polymer resin for 3D printing. The first section focuses on rapid prototyping technique and properties of the photopolymer, used as input material in the manufacture of machine components. Second part of the article was devoted to exemplary 3-D-printed elements for incorporation in machines. The article also contains detailed description of problems encountered in implementation of the selected...
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Symulacja skrócenia procesu kompletacji z wykorzystaniem karty przebiegu czynności na przykładzie wybranego marketu DIY
PublikacjaW artykule przeanalizowano zagadnienia dotyczące gospodarki magazynowej, wykorzystania infrastruktur magazynowej i manipulacyjnej oraz zagospodarowania przestrzeni magazynowej w zakresie realizowanych procesów w magazynie wybranego marketu budowlanego DIY (ang. Do-It-Yourself). Z wykorzystaniem takich narzędzi, jak mapa procesu oraz karta przebiegu czynności przeprowadzono analizę procesu kompletacji towarów dla wybranego zamówienia...
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G2DC-PL+: a gridded 2 km daily climate dataset for the union of the Polish territory and the Vistula and Odra basins
PublikacjaG2DC-PL+, a gridded 2 km daily climate dataset for the union of the Polish territory and the Vistula and Odra basins, is an update and extension of the CHASE-PL Forcing Data – Gridded Daily Precipitation and Temperature Dataset – 5 km (CPLFD-GDPT5). The latter was the first publicly available, high-resolution climate forcing dataset in Poland, used for a range of purposes including hydrological modelling and bias correction of...
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Expedited constrained multi-objective aerodynamic shape optimization by means of physics-based surrogates
PublikacjaIn the paper, computationally efficient constrained multi-objective design optimization of transonic airfoil profiles is considered. Our methodology focuses on fixed-lift design aimed at finding the best possible trade-offs between the two objectives: minimization of the drag coefficient and maximization of the pitching moment. The algorithm presented here exploits the surrogate-based optimization principle, variable-fidelity computational...
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Production of singlet oxygen atoms by photodissociation of oxywater
PublikacjaQuantum chemical calculations are reported for the energies of the few lowest electronic singlet states of oxywater along dissociation of the oxygen-oxygen bond into water and singlet oxygen using multistate multireference second-order Møller–Plesset perturbation theory. We compute an energy of 21 kcal/mol to remove one oxygen atom in the lowest singlet state. The two lowest excited singlet states have vertical excitation energies...
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Modelling gene expression of a self-regulating protein
PublikacjaWe analyze a model of gene transcription and protein synthesis. We take into account the number of sites on the protein’s promoter at which the protein’s dimers can bind blocking transcription of protein mRNA.
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Determination of 3-MCPD and 2-MCPD esters in edible oils, fish oils and lipid fractions of margarines available on Polish market
Publikacja3-monochloropropane-1,2-diol (3-MCPD) and 2-monochloropropane-1,3-diol (2-MCPD) are intensively investigated food contaminants, which recently emerged as a serious problem within the discovery of high levels of their fatty acid esters in lipid samples. In order to monitor the concentrations of mentioned toxicants in edible oils and fats, several analytical methods have been developed so far. This paper presents the screening research...
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Unsaturated, biobased polyesters and their cross-linking via radical copolymerization
PublikacjaBiobased, unsaturated polyesters derived from isosorbide, maleic anhydride and succinic acid were synthesized and characterized. The presence of maleic anhydride units in the structure of the polyesters allowed converting them into cured coatings by radical copolymerization with cross-linking agents such as 2-hydroxyethyl methacrylate, N-vinyl-2-pyrrolidinone, acrylic acid or methacrylamide. The investigated polyesters were obtained...
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Study on surface termination of boron-doped diamond electrodes under anodic polarization in H2SO4 by means of dynamic impedance technique
PublikacjaAnodic oxidation is a popular way to modify termination bonds at boron doped diamond electrodes altering their electrochemical and physicochemical properties. Our studies, performed with dynamic electrochemical impedance spectroscopy technique, supported with X-ray photoelectron spectroscopy and ellipsometry analysis prove its utility in continuous on-line monitoring of impedance changes on the electrode surface under polarization...
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Design of a Planar UWB Dipole Antenna with an Integrated Balun Using Surrogate-Based Optimization
PublikacjaA design of an ultra-wideband (UWB) antenna with an integrated balun is presented. A fully planar balun configuration interfacing the microstrip input of the structure to the coplanar stripline (CPS) input of the dipole antenna is introduced. The electromagnetic (EM) model of the structure of interest includes the dipole, the balun, and the microstrip input to account for coupling and radiation effects over the UWB band. The EM...
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The evaluation of COD fractionation and modeling as a key factor for appropriate optimization and monitoring of modern cost-effective activated sludge systems
PublikacjaA study was conducted to characterize the raw wastewater entering a modern cost effective municipal WWTP in Poland using two approaches; 1) a combination of modeling and carbonaceous oxygen demand (COD) fractionation using respirometric test coupled with model estimation (RTME) and 2) flocculation/filtration COD fractionation method combined with BOD measurements (FF-BOD). It was observed that the particulate fractions of COD obtained...
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Two small RNAs conserved in Enterobacteriaceae provide intrinsic resistance to antibiotics targeting the cell wall biosynthesis enzyme glucosamine-6-phosphate synthase
PublikacjaFormation of glucosamine-6-phosphate GlcN6P) by enzyme GlcN6P synthase (GlmS) represents the first step in bacterial cell envelope synthesis. In Escherichia coli, expression of glmS is controlled by small RNAs (sRNAs) GlmY and GlmZ. GlmZ activates the glmS mRNA by base-pairing. When not required, GlmZ is bound by adapter protein RapZ and recruited to cleavage by RNase E inactivating the sRNA. The homologous sRNA GlmY activates...
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Design and Optimization of a Compact Super-Wideband MIMO Antenna with High Isolation and Gain for 5G Applications
PublikacjaThis paper presents a super-wideband multiple-input multiple-output (SWB MIMO) antenna with low profile, low mutual coupling, high gain and compact size for microwave and millimeter wave (mm-wave) fifth-generation (5G) applications. A single antenna is a simple elliptical-square shape with a small physical size of 20 × 20 × 0.787 mm3. The combination of both square and elliptical shapes results in an exceptionally broad impedance...
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Polyurethanes Crosslinked with Poly(vinyl alcohol) as a Slowly-Degradable and Hydrophilic Materials of Potential Use in Regenerative Medicine
PublikacjaNovel, slowly-degradable and hydrophilic materials with proper mechanical properties and surface characteristics are in great demand within the biomedical field. In this paper, the design, synthesis, and characterization of polyurethanes (PUR) crosslinked with poly(vinyl alcohol) (PVA) as a new proposition for regenerative medicine is described. PVA-crosslinked PURs were synthesized by a two-step polymerization performed in a solvent...
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Assessment of the Relationship between the Shape of the Lateral Meniscus and the Risk of Extrusion Based on MRI Examination of the Knee Joint
PublikacjaBackground Meniscus extrusion is a serious and relatively frequent clinical problem. For this reason the role of different risk factors for this pathology is still the subject of debate. The goal of this study was to verify the results of previous theoretical work, based on the mathematical models, regarding a relationship between the cross-section shape of the meniscus and the risk of its extrusion. Materials and Methods Knee...
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Measurement of sub-nanometer molecular layers with ISFET without a reference electrode dependency
PublikacjaA new method of detection and measurement with sub-nanometer resolution of layers adsorbed or bonded to the ISFET's gate dielectric was presented. The sensitivity of this method is high enough to detect even partial mono-layer covering. The transconductance measurement of the ISFET provides independence of the output signal from pH changes and the driving electrode electrochemical potential instabilities. The stable reference electrode...
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Three-dimensional Weyl topology in one-dimensional photonic structures
PublikacjaTopological features, in particular distinct band intersections known as nodal rings, usually requiring three-dimensional structures, have now been demonstrated experimentally in an elegantly simple one-dimensional photonic crystal.
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Polyethylene as a small vessel's building material
PublikacjaThe most common use of polyethylene we can notice nowadays are areas like water supply systems, gas industry (esp. gas piping), food industry, small-scale, light and consumer goods industries. That material has far more applications. One of them is shipbuilding - especially small inland or offshore vessels.
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Ultrafast high-temperature sintering (UHS) of cerium oxide-based compound
PublikacjaUltrafast high-temperature sintering (UHS) is an innovative sintering technique that can densify ceramics in a few seconds, dramatically reducing the carbon footprint and firing costs. In this work, the feasibility of applying UHS in Gd-doped ceria (GDC) and GDC-Er-stabilized bismuth oxide (ESB) composite powders was investigated. At high UHS currents (22-24 A), a fully dense GDC sample with a large grain size was obtained. Nonetheless,...
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Revealing the Frank–Evans “Iceberg” Structures within the Solvation Layer around Hydrophobic Solutes
PublikacjaUsing computer simulations, the structural properties of solvation water of three model hydrophobic molecules, methane and two fullerenes (C60 and C80), were studied. Systems were simulated at temperatures in the range of 250−298 K. By analyzing both the local ordering of the molecules of water in the solvation layers and the structure of hydrogen bond network, it is shown that in the solvation layer of hydrophobic molecules, ordered...
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Reactions of Lithium Salts of Triphosphanes tBu2P-PLi-PtBu2 and tBu2P-PLi-P(NEt2)2 with Metal Complexes [(R3P)2MCl2] (M = Ni, Pd, Pt, R3P = Et3P, pTol3P, Ph2EtP, iPr3P)
PublikacjatBu2P-PLi-PtBu2·2THF reacts with [(R3P)2MCl2] (M = Pt, Pd, Ni; R3P = Et3P, pTol3P, Ph2EtP, iPr3P) to yield isomers of [(1,2-η-tBu2P=P-PtBu2)M(PR3)Cl], in which the tBu2P-P-PtBu2 ligand adopts the arrangement of a side-on bonded 1,1-di-tert-butyl-2-(di-tert-butylphosphanyl)diphosphenium cation. tBu2P-PLi-P(NEt2)2·2THF reacts with [(R3P)2MCl2] but does not form complexes with a tBu2P-P-P(NEt2)2 moiety, however, splitting...
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Design of a Patch Power Divider with Simple Structure and Ultra-Broadband Harmonics Suppression
PublikacjaThis paper introduces a simple H-shaped patch Wilkinson power divider (WPD), which provides ultra wide harmonics suppression band. The presented WPD designed at 1.8 GHz, and exhibits good performance at the operating bandwidth. In the proposed divider structure, two simple patch low-pass filters (LPFs) are employed at each branch, and three open ended stubs are added at each port. The proposed divider, implemented using the aforementioned...
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Properties of New Composite Materials Based on Hydroxyapatite Ceramic and Cross-Linked Gelatin for Biomedical Applications
PublikacjaThe main aim of the research was to develop a new biocompatible and injectable composite with the potential for application as a bone-to-implant bonding material or as a bone substitute. A composite based on hydroxyapatite, gelatin, and two various types of commercially available transglutaminase (TgBDF/TgSNF), as a cross-linking agent, was proposed. To evaluate the impacts of composite content and processing parameters on various...
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Enzymatic and Chemical Cross-Linking of Bacterial Cellulose/Fish Collagen Composites—A Comparative Study
PublikacjaThis article compares the properties of bacterial cellulose/fish collagen composites (BC/Col) after enzymatic and chemical cross-linking. In our methodology, two transglutaminases are used for enzymatic cross-linking—one recommended for the meat and the other proposed for the fish industry—and pre-oxidated BC (oxBC) is used for chemical cross-linking. The structure of the obtained composites is characterized by scanning electron...
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Methods of Assessment of Metal Contamination in Bottom Sediments (Case Study: Straszyn Lake, Poland)
PublikacjaThe concentrations of six metals (Zn, Cu, Pb, Ni, Cr, and Cd) were investigated in bottom sediments of Straszyn Lake (North Poland). This study was designed to determine a total content of metals and to assess their mobility and bioavailability. The sequential extraction was used to fractionate metals into five fractions: exchangeable, bound to carbonates, bound to Fe–Mn oxides, bound to organic matter, and residual. The evaluation...
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FIR Filter Design Using Distributed Maximal Flatness Method
PublikacjaIn the paper a novel method for filter design based on the distributed maximal flatness method is presented. The proposed approach is based on the method used to design the most common FIR fractional delay filter - the maximally flat filter. The MF filter demonstrates excellent performance but only in a relatively narrow frequency range around zero frequency but its magnitude response is no greater than one. This ,,passiveness”...
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Object oriented grid computing for computational electromagnetics
PublikacjaArtykuł opisuje bibliotekę WiCommGrid napisaną w języku java, która realizuje ideę wymiany informacji pomiędzy węzłami środowiska rozproszonego z zastosowaniem programowania zorientowanego obiektowo. Biblioteka ta przystosowana jest do współdziałania z wieloma systemami operacyjnymi oraz z rożnym środowiskiem sprzętowym. Zbudowaną aplikację zastosowano do zrównoleglonych obliczeń rozkładu pola elektromagnetycznego w oparciu o algorytm...
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ESTIMATION OF NONSTATIONARY HARMONIC SIGNALS AND ITS APPLICATION TO ACTIVE CONTROL OF MRI NOISE
PublikacjaA new adaptive comb filtering algorithm, capable of tracking the fundamental frequency and amplitudes of different frequency components of a nonstationary harmonic signal embedded in white measurement noise, is proposed. Frequency tracking characteristics of the new scheme are studied analytically, proving (under Gaussian assumptions and optimal tuning) its statistical efficiency for quasi-linear frequency changes. Laboratory tests...
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Simple SIR models with Markovian control
PublikacjaWe consider a random dynamical system, where the deterministic dynamics are driven by a finite-state space Markov chain. We provide a comprehensive introduction to the required mathematical apparatus and then turn to a special focus on the susceptible-infected-recovered epidemiological model with random steering. Through simulations we visualize the behaviour of the system and the effect of the high-frequency limit of the driving...
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Residue-Pole Methods for Variability Analysis of S-parameters of Microwave Devices with 3D FEM and Mesh Deformation
PublikacjaThis paper presents a new approach for variability analysis of microwave devices with a high dimension of uncertain parameters. The proposed technique is based on modeling an approximation of system by its poles and residues using several modeling methods, including ordinary kriging, Adaptive Polynomial Chaos (APCE), and Support Vector Machine Regression (SVM). The computational cost is compared with the traditional Monte-Carlo...
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Molecular basis and quantitative assessment of TRF1 and TRF2 protein interactions with TIN2 and Apollo peptides
PublikacjaShelterin is a six-protein complex (TRF1, TRF2, POT1, RAP1, TIN2, and TPP1) that also functions in smaller subsets in regulation and protection of human telomeres. Two closely related proteins, TRF1 and TRF2, make high-affinity contact directly with double-stranded telomeric DNA and serve as a molecular platform. Protein TIN2 binds to TRF1 and TRF2 dimer-forming domains, whereas Apollo makes interaction only with TRF2. To elucidate...
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Accurate Modeling of Antenna Structures by Means of Domain Confinement and Pyramidal Deep Neural Networks
PublikacjaThe importance of surrogate modeling techniques has been gradually increasing in the design of antenna structures over the recent years. Perhaps the most important reason is a high cost of full-wave electromagnetic (EM) analysis of antenna systems. Although imperative in ensuring evaluation reliability, it entails considerable computational expenses. These are especially pronounced when carrying out EM-driven design tasks such...
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Entropic Measures of Complexity of Short-Term Dynamics of Nocturnal Heartbeats in an Aging Population
PublikacjaTwo entropy-based approaches are investigated to study patterns describing differences in time intervals between consecutive heartbeats. The first method explores matrices arising from networks of transitions constructed following events represented by a time series. The second method considers distributions of ordinal patterns of length three, whereby patterns with repeated values are counted as different patterns. Both methods provide...
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Investigating the Impact of Weather Conditions and Time of Day on Traffic Flow Characteristics
PublikacjaAdverse weather such as rain, snow, and fog may significantly reduce visibility or change adhesion properties and, as a consequence, affect drivers’ sense of safety, driving comfort, and their reaction to a changing driving environment (i.e., lower speed and increased headways). The changed behavior of individual drivers affects both traffic flow characteristics, that is, average speed and headways, and parameters related to highway...
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Static and Dynamic Mechanical Properties of 3D Printed ABS as a Function of Raster Angle
PublikacjaDue to the rapid growth of 3D printing popularity, including fused deposition modeling (FDM), as one of the most common technologies, the proper understanding of the process and influence of its parameters on resulting products is crucial for its development. One of the most crucial parameters of FDM printing is the raster angle and mutual arrangement of the following filament layers. Presented research work aims to evaluate different...
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Aktywności stymulujące refleksję w nauczaniu języka pisanego w wirtualnej klasie
PublikacjaThe paper aims to show how to engage students attending an online language course in various activities which by stimulating reflection enhance the learning process and result in better learning outcomes. By blending cognitivist, constructivist, constructionist and behavioural ideas, course developers and tutors can produce materials and use methods which satisfy the varied needs of adults who want to improve their writing skills....
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Mechatronic Design Towards Investigation of the Temporo-Mandibular Joint Behaviour
PublikacjaA significant problem of the temporo-mandibular joint (TMJ) research is lack of data concerning geometry and position of TMJ discs. It leads to necessity of developing a driving method of the process optimization, which is based on chosen techniques of mechatronic design. In particular, the latter concerns a technique of experimentally supported virtual prototyping. On this stage, the research is characterized by well-verified...
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Novel topology of compact coplanar waveguide resonant cell low-pass filter
PublikacjaIn this study, a novel pseudoelliptic function low-pass filter (LPF) constituted by a compact coplanar waveguide resonant cell has been designed and manufactured. The lumped-element seven-pole prototype has been adequately realized by using complementary perturbations located both in signal line and ground plane metallization. The fabricated uniplanar LPF offers a compact size of 5.6 x 9.8 mm2, return loss better than 26 dB over...
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Ellipsometric study of carbon nitride films deposited by DC-magnetron sputtering
PublikacjaWe report the optical properties of a carbon nitride (CNx) film as a function of nitrogen concentration (N/C) of the deposited film. As nitrogen concentration is increased (N/C ratio) in a CNx film, the refractive index and band gap also increase. The real and imaginary parts, n and k (refractive index and extinction coefficient) of the complex refraction index of carbon nitride films were determined by spectroscopic ellipsometry...
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Stability of roof trusses stiffened by corrugated sheets
PublikacjaThe present parametric study is devoted to the stability analysis of a set of trusses stiffened by decking of corrugated steel sheets. For different parameters of corrugated sheets the critical loading of the roof is calculated. In the parametrical analysis the threshold bracing condition of the roof is obtained. Then the geometrically non-linear analysis of trusses braced by corrugated sheets was conducted. As a results of non-linear...
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Mathematical Modelling of Drive System with an Elastic Coupling Based on Formal Analogy between the Transmission Shaft and the Electric Transmission Line
PublikacjaIn the paper, the kinematic structure of the transmission shaft between the driving motor and the working mechanism is studied. The analysis is based on electrical and mechanical similarities. The equivalent circuits, typical for electrical systems, are defined for the transmission shaft concerned. Modelling of the transmission shaft based on a formal analogy between the transmission shaft and the electric transmission line is...
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Evaluating calibration and robustness of pedestrian detectors
PublikacjaIn this work robustness and calibration of modern pedestrian detectors are evaluated. Pedestrian detection is a crucial perception com- ponent in autonomous driving and here we study its performance under different image corruptions. Furthermore, we provide analysis of classifi- cation calibration of pedestrian detectors and we show a positive effect of using style-transfer augmentation technique. Our analysis is aimed as a step...
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Propagation in the Open Cylindrical Guide of Arbitrary Cross Section With the Use of Field Matching Method
PublikacjaA simple solution to propagation problem in open waveguides and dielectric fibers of arbitrary convex cross section is presented. The idea of the analysis is based on the direct field matching technique involving the usage of the field projection at the boundary on a fixed set of orthogonal basis functions. A complex root tracing algorithm is utilized to find the propagation coefficients of the investigated guides. Different convex...
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THE USE OF THE Ti-13Zr-13Nb ALLOY POWDER FOR MANUFACTURING OF PROSTHETIC PARTS BY SELECTIVE LASER MELTING
PublikacjaThe 3D printing is a manufacturing technique belonging to the additive methods able to prepare the designed parts for various purposes. The present reasearch was aimed to fabricate the prosthetic foundations and bridges made of the new Ti-13Zr-13Nb alloy by the selective laser melting (SLM) of a metal powder. The scanning electron examinations and micro scanning tomography were used to investigate the surface quality and intrinsic...
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Mobility Oriented Development (MOD): Public-Private Partnership in Urban Parking & Traffic Management with the Use of Autonomous Automobiles, Car-Sharing, Ridesharing Modes of Transport & Mobility as a Service (MaaS)
PublikacjaThe focus of the following research are relations between mobility technologies and metropolitan (urban and suburban) spatial structures. In this paper the author discusses various urban modes of transport (automobile, mass transit) in the context of emerging technical (autonomous vehicles, self-driving cars and driverless shuttles) and organizational (carpooling, ridesharing, car-sharing, on-demand mobility) solutions for " mobility...
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Accelerometer signal pre-processing influence on human activity recognition
PublikacjaA study of data pre-processing influence on accelerometer-based human activity recognition algorithms is presented. The frequency band used to filter-out the accelerometer signals and the number of accelerometers involved were considered in terms of their influence on the recognition accuracy.
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Reaction of aniline with ammonium persulphate and concentrated hydrochloric acid: Experimental and DFT studies
PublikacjaIn this paper, the reaction of aniline with ammonium persulphate and concentrated HCl was studied. As a result of our experimental studies, 2,4,6-trichlorophenylamine was identified as the main product. This shows that a high concentration of HCl does not favour oxidative polymerisation of phenylamine, even though the ammonium persulphate/HCl system is widely used in polyaniline synthesis. On the basis of the experimental data...