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Search results for: ADIABATIC POTENTIAL CURVES
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Electrochemistry from first-principles in the grand canonical ensemble
PublicationProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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Global Complex Roots and Poles Finding Algorithm in C × R Domain
PublicationAn algorithm to find the roots and poles of a complex function depending on two arguments (one complex and one real) is proposed. Such problems are common in many fields of science for instance in electromagnetism, acoustics, stability analyses, spectroscopy, optics, and elementary particle physics. The proposed technique belongs to the class of global algorithms, gives a full picture of solutions in a fixed region ⊂ C × R and...
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Comprehensive determination of flavouring additives and nicotine in e-cigarette refill solutions. Part I: Liquid chromatography-tandem mass spectrometry analysis
PublicationLiquid chromatography-tandem mass spectrometry with electrospray ionization (HPLC-ESI–MS/MS) methods were developed for the simultaneous determination of 42 flavouring compounds and nicotine in liquids for e-cigarettes. The chromatographic separation was performed using an Ace® Ultracore™ SuperC18™ (100 × 2.1 mm, 2.5 μm) column in both acidic and alkaline pH conditions to separate all the compounds. A simple “dilute & shoot” approach...
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An investigation on the role of GMA grafting degree on the efficiency of PET/PP-g-GMA reactive blending: morphology and mechanical properties
PublicationGlycidyl methacrylate (GMA) has been grafted on polypropylene (PP) with the aid of styrene (St) comonomer, by changing dicumyl peroxide initiator content, GMA level, and St concentration. The performance of the resulting PP-g-GMA reactive material towards static and dynamic mechanical properties of poly (ethylene terephthalate) (PET) was monitored in terms of grafting reaction variables and compatibilizer content. Fourier transform...
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Simultaneous determination of individual isothiocyanates in plant samples by HPLC-DAD-MS following SPE and derivatization with N-acetyl-l-cysteine
PublicationThe procedure for the isothiocyanates (ITCs) determination that involves derivatization with N-acetyl-l-cysteine (NAC) and separation by HPLC was developed. Prior to derivatization, plant ITCs were isolated and purified using solid-phase extraction (SPE). The optimum conditions of derivatization are: 500 μL of isopropanolic eluate obtained by SPE combined with 500 μL of derivatizing reagent (0.2 M NAC and 0.2 M NaHCO3 in water)...
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Studying road restraint systems to develop new guidelines
PublicationThe paper will present a proposed approach to such work along with preliminary results of numerical studies for selected problems using road safety devices such as safety barriers on horizontal curves, the effect of kerbs on bridges or the location of obstacles within the barrier’s working width. The paper will discuss assumptions to a methodology of numerical models, calculations and automated processing of data to help with assessing...
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Examination of advanced isotropic constitutive laws under complex stress states in plain and reinforced concrete specimens
PublicationThe performance of advanced isotropic constitutive laws under complex stress states in plain and reinforced concrete specimens is investigated. Three different formulations are chosen: original Mazars model, Mazars mi model and model proposed by Pereira and coworkers. The degradation of the material in all formulations is described via a single variable, but a strain/stress state is taken into account via quite sophisticated relationships....
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Numerical modelling of the mesofracture process of sintered 316L steel under tension using microtomography
PublicationThis paper concerns numerical modelling of the deformation process, taking into account the local fracture of porous 316L sinters at the mesoscopic scale using the finite element method. Calculations are performed with the use of geometrical models, to map the realistic shape of the porous mesostructure of the material, obtained by means of computed microtomography. The microtomographic device has limited and insufficient measurement...
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CHARACTERIZATION STUDY ON MECHANICAL PROPERTIES OF POLYESTER COATED FABRIC
PublicationThe scope of the paper is to determine the mechanical properties of the Precontraint 1302 polyester coated fabric under uniaxial and biaxial tensile tests. The results are compared for Precontraint 1302 fabric and other types of coated fabrics. The author applied an orthotropic model and a dense net model to reflect the polyester coated fabric performance under uniaxial and biaxial tensile tests. Material parameters are specified...
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Analysis of passenger car crash with a cable barrier installed with anti-glare screens on a horizontal convex road curve with 400 m radius
PublicationHigh-tension cable barriers have been used on roads for a relatively short period compared with other types of road barriers. Hence, there remains a need for further research on various crash scenarios. An important issue is the performance of a cable barrier on a road curve, particularly when a vehicle impacts the convex side of the barrier. To address this issue, the analysis in this study considers a system of anti-glare screens...
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Extraction and Analysis of Bisphenols and Their Derivatives in Infant and Toddler Ready-to-feed Meals by Ultrasound-assisted Membrane Extraction Followed by LC MS/MS
PublicationThis research developed an ultrasound-assisted membrane extraction coupled with liquid chromatography-tandem mass spectrometry method for the determination of nineteen bisphenols and their derivatives in infant and toddler ready-to-feed meals. The calibration curves for all analytes were linear in the tested range, and the limit of detection and limit of quantitation were in the range 0.27 to 0.79 ng/g and 0.80 to 2.4 ng/g, respectively....
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Anti-plane shear waves in an elastic strip rigidly attached to an elastic half-space
PublicationWe consider the anti-plane shear waves in a domain consisting of an infinite layer with a thin coating lying on an elastic half-space. The elastic properties of the coating, layer, and half-space are assumed to be different. On the free upper surface we assume the compatibility condition within the Gurtin–Murdoch surface elasticity, whereas at the plane interface we consider perfect contact. For this problem there exist two possible...
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Warstwowa ocena epidemiologiczna architektury zakładów opiekuńczo-leczniczych i zakładów gieriatycznych = Layer based epidemiological quality assessment of architecture of care security and geriatric wards
PublicationW artykule opisano możliwość wykorzystania autorskiej metody warstwowej oceny epidemiologicznej (WOE) do oceny potencjalnego ryzyka zakażeń w obiektach przeznaczonych dla osób starszych. Materiał i metody: W celu weryfikacji możliwości użycia metody WOE do oceny zagrożeń w zakresie bezpieczeństwa epidemiologicznego środowiska zbudowanego poddano analizie dostępne źródła literatury związane z obowiązującymi w Polsce wymaganiami...
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In vitro and in silico assessment of anti-inflammatory activity of cocoa powders
PublicationPlants are considered the major sources of biologically active compounds, which provide unlimited opportunities for their use either as medical treatments or as novel drug formulations. Cocoa powder is frequently used in nutrition and is known to have many benefits thanks to its wide range of biological activities. The presented study was focused on th evaluation of the anti-inflammatory potential of extracts obtained from cocoa...
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Nano-engineered diamond-based materials for supercapacitor electrodes: A review
PublicationOwing to the popularity of carbon-based supercapacitors, diamond has also been examined as a potential candidate with unique advantages such as a wide electrochemical potential window and stable capacitive behavior in both aqueous and non-aqueous electrolytes. Moreover, its chemical stability in harsh environments at extreme applied potential and current provides rare opportunities for designing new supercapacitors. Owing to the...
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Assessment of the Feasibility of Energy Transformation Processes in European Union Member States
PublicationThe energy transition is now treated in most countries as a necessary condition for their long-term development. The process of energy transformation assumes the simultaneous implementation of the Sustainable Development Goals, which are a major challenge for modern economies and introduce significant restrictions in their functioning. Our study aims to group EU member states according to their ability to achieve energy transition...
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Kształtowanie toru zwrotnego rozjazdu z odcinkami krzywizny liniowej
PublicationW pracy została przedstawiona analityczna metoda kształtowania toru zwrotnego rozjazdu kolejowego posiadającego na swojej długości odcinki krzywizny liniowej. Odróżnia go to w istotny sposób od rozwiązania typowego, stanowiącego pojedynczy łuk kołowy bez krzywych przejściowych. W metodzie tej dokonano identyfikacji problemu rozkładu krzywizny za pomocą równań różniczkowych. Uzyskane rozwiązania mają charakter uniwersalny; m. in....
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Wpływ zbrojenia polimerowymi włóknami rozproszonymi na wybrane właściwości mieszanek mineralno-asfaltowych
PublicationW artykule przedstawiono wybrane wyniki badań mieszanek mineralno-asfaltowych zbrojonych polimerowymi włóknami rozproszonymi. Ocenie poddano mieszankę włókien zbrojących aramidowo-poliolifenowych pod kątem wpływu ich zastosowania na właściwości niskotemperaturowe i odporności na deformacje trwałe mieszanek mineralno-asfaltowych. Właściwości niskotemperaturowe oceniano na podstawie testu zginania próbek belkowych oraz na podstawie...
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Obliczanie przesunięć osi toru przy modernizacji łuków parabolicznych na liniach kolejowych
PublicationPodstawowym zadaniem modernizacji linii kolejowych jest właściwe zaprojektowanie nowego układu geometrycznego, który będzie spełniał założone kryteria związane z parametrami eksploatacyjnymi danej linii. Dążąc do spełnienia przyjętych warunków nałożonych na projektowany układ, projektant najczęściej koryguje podstawowe parametry geometryczne, tj. przechyłkę, promień łuku kołowego oraz długości krzywych przejściowych. W artykule...
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A new time-frequency detection method of stray current field interferenceon metal structures.
PublicationA new detection method has been presented of stray current field interference on underground metal structures. The method employs short time Fourier transformation (STFT). This method of analysis allows determination of signal spectral power density changes (e.g., structure potential) in the function of time. In the paper results have been presented of total time–frequency analysis of a pipeline potential in a stray current field...
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Knowledge risks inherent in business sustainability
PublicationSince the connection between business sustainability and knowledge risks has not been established in the literature so far, this paper provides a conceptual framework to demonstrate the possible impact of various knowledge risks on business sustainability and offers potential ways to manage and overcome these risks. The aim of this conceptual paper is to address two main questions: What are the potential effects of knowledge risks...
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Remote Health Monitoring of Wind Turbines Employing Vibroacoustic Transducers and Autoencoders
PublicationImplementation of remote monitoring technology for real wind turbine structures designed to detect potential sources of failure is described. An innovative multi-axis contactless acoustic sensor measuring acoustic intensity as well as previously known accelerometers were used for this purpose. Signal processing methods were proposed, including feature extraction and data analysis. Two strategies were examined: Mel Frequency Cepstral...
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Gelatin and gelatin/starch-based films modified with sorbitol for wound healing
PublicationGelatin-based films modified with sorbitol were produced from gelatin solution or gelatin/starch blends using a simple and low-cost solvent casting method, and subsequently, their physicochemical, mechanical, and biocompatibility properties were characterized. This work focused on developing and optimizing a biopolymeric blend to improve the pure biopolymers’ properties for potential biomedical applications such as wound dressing....
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Tuning the work function of graphite nanoparticles via edge termination
PublicationGraphite nanoparticles are important in energy materials applications such as lithium-ion batteries (LIBs), supercapacitors and as catalyst supports. Tuning the work function of the nanoparticles allows local control of lithiation behaviour in LIBs, and the potential of zero charge of electrocatalysts and supercapacitors. Using large scale density functional theory (DFT) calculations, we find that the surface termination of multilayer...
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Probing Local Structural Changes by Sharp Luminescent Infrared Nanophosphor for Application in Light-Emitting Diodes
PublicationCr3+-doped infrared phosphors are promising candidates for next-generation phosphor-converted infrared light-emitting diodes (LEDs) because they can, in principle, tune and convert the luminescence spectra from an LED chip. However, most studies focus on broad-band Cr3+-doped phosphors, and the control mechanism of Cr3+-doped phosphors with sharp line emissions remains ambiguous. Here, we report LiGa5(1–x)Al5xO8:Cr3+ phosphors...
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Mechanical Properties of Twisted Carbon Nanotube Bundles with Carbon Linkers from Molecular Dynamics Simulations
PublicationThe manufacturing of high-modulus, high-strength fibers is of paramount importance for real-world, high-end applications. In this respect, carbon nanotubes represent the ideal candidates for realizing such fibers. However, their remarkable mechanical performance is difficult to bring up to the macroscale, due to the low load transfer within the fiber. A strategy to increase such load transfer is the introduction of chemical linkers...
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Larmor diamagnetism and Van Vleck paramagnetism in relativistic quantumtheory: the Gordon decomposition approach
PublicationWe consider a charged Dirac particle bound in a scalar potential perturbed by a classical magnetic field derivable from a vector potential A(r). Using a procedure based on the Gordon decomposition of a field-induced current, we identify diamagnetic and paramagnetic contributions to the second-order perturbationtheory correction to the particle's energy. In contradiction to earlier findings, based on the sum-over-states approach,...
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ICT and social development. Conceptual considerations.
PublicationThis chapter is intended to provide basic ideas and concepts related to technology, technological progress and society. It explains how and why technology and society are interrelated, forming a dynamic, complex and interdependent evolutionary system. It introduces the terms Digital (ICT) Revolution and information and communication technologies (ICTs), showing elementary features of new technologies. The chapter explains why ICTs...
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Determinants of export diversification: an empirical investigation
PublicationEmpirical findings confirm that relatively high specialisation of economic structures tends to be associated with low levels of income per capita, but countries diversify their export structures along their path of growth. However, usually only per capita income, and eventually, country-specific fixed effects are the sole explanatory variables taken into consideration in the estimation of specialisation curves. We extend the analysis...
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Levels of 13 multi-class pesticide residues in Polish honeys determined by LC-ESI-MS/MS
PublicationLevels of 13 pesticides in 40 honey samples form Poland are reported. A rapid and sensitive method was developed for the LC-ESI-MS/MS determination of multi-class pesticide residues in honey samples. Liquid-liquid extraction (LLE) on a diatomaceous earth support (requiring the use of small amounts of organic solvent), followed by chromatographic separation on a C18 column and gradient elution were employed. The method quantifies...
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Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy
PublicationPhotofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region, producing excited atomic and molecular fragments, has been studied over the energy range 14-68 eV using photon-induced fluorescence spectroscopy. Excited hydrogen atoms H(n), n = 3-11, have been detected by observation of the Hα to Hı lines of the Balmer series. The diatomic CH(A2Δ), CH(B2Σ-) and C2(d3Πg) fragments, which are excited to low vibrational...
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BINDER COURSES USING COLD RECYCLED MIXTURES – A NOVEL CONCEPT IN COLD RECYCLING
PublicationCold recycling with cement and bituminous emulsion is one of the most environmentally friendly techniques to maximize the reuse of reclaimed asphalt (RA) collected during demolition of roads. Cold recycled mixtures are commonly used for base courses in construction or rehabilitation of flexible and semi-rigid pavements. Current experiences demonstrated that cold recycling with appropriate requirements and technical recommendations...
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Preparatory Railway Track Geometry Estimation Based on GNSS and IMU Systems
PublicationThe article discusses an important issue of railway line construction and maintenance, which fundamentally is the verification of geometric parameters of the railway track. For this purpose, mobile measurements have been performed using a measuring platform with two properly arranged GNSS receivers, which made it possible to determine the base vector of the platform. The measuring functionality of the system was extended by IMU....
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On topology optimization of large deformation contact-aided shape morphing compliant mechanisms
PublicationA topology optimization approach for designing large deformation contact-aided shape morphing compliant mechanisms is presented. Such mechanisms can be used in varying operating conditions. Design domains are described by regular hexagonal elements. Negative circular masks are employed to perform dual task, i.e., to decide material states of each element and also, to generate rigid contact surfaces. Each mask is characterized by...
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Flow cytometric approach to evaluate the impact of hydro-technical concrete compounds’ release to the freshwater microbiome
PublicationThe aim of this research was to test the potential of applying a flow cytometric procedure to evaluate the impact of concrete compounds’ release to the freshwater microbiome. Cells from the collected samples were stained with a fluorogenic redox indicator dye that measures the redox potential of microbial cells. This novel approach was combined with the assessment of microorganisms’ penetration into the internal structures of concrete...
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Impedance of cation-coupled electron transfer reaction: Theoretical description of one pathway process
PublicationIt has been assumed that cation electron coupled charge transfer can be conducted in accordance with two mutually coupled reactions. Using a differential method an expression was introduced which describes the impedance of a cation electron coupled transfer reaction. Also, an electrical equivalent circuit has been defined. The total faradaic impedance is the sum of electron transfer impedance and cation transfer impedance. Issues...
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Review of Recent Advancement on Nature/Bio-inspired Antenna Designs
PublicationThis article presents an extensive examination of antennas rooted in nature and biology, showcasing their remarkable performance across a wide spectrum of frequencies—from microwave to terahertz. The limitations of traditional antenna design have become increasingly evident in the face of burgeoning demands for novel communication technologies. Conventional analytical-equation-based approaches struggle to deliver the combined performance...
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Analiza numeryczna wpływu długości zakotwienia pręta na zachowanie przyczepności w teście pull-out
PublicationW artykule przedstawiono symulacje numeryczne testu pull-out w programie ABAQUS. Symulacje miały na celu ocenienie wpływu długości zakotwienia pręta żebrowanego na przyczepność w tym teście, opierając się na wynikach przeprowadzonych eksperymentów. Interakcję pręta z betonem odwzorowano za pomocą kohezyjnej powierzchni kontaktu, wykorzystując skalibrowane krzywe przyczepność-poślizg, otrzymane z doświadczeń wykonanych w ramach...
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Liniowe i nieliniowe modele wielowymiarowej kalibracji do predykcji stężenia substancji z pomiarów woltamperometrycznych
PublicationPomiary woltamperometryczne znajdują zastosowanie w wielu dziedzinach nauki i techniki, np. w przemyśle farmaceutycznym. Dane uzyskane w wyniku takich pomiarów zawierają informację odnośnie rodzaju i stężenia badanej substancji, jednakże są one często kłopotliwe w bezpośredniej interpretacji. Z tego powodu, istnieje konieczność wykorzystania odpowiednich metod matematycznych, które umożliwiają uzyskanie bezpośredniej i precyzyjnej...
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A city and a wind farm. Landscape perspective
PublicationThe aim of the paper is to present the problems of the location of the wind farms in close neighbourhood to the historical cities, and the ways to minimize the potential landscape threats. The production of clean energy is obligatory in EU. In spite of how positive to the environment the wind energy production is, it may cause negative effects. The results of landscape studies of two towns in Poland prove that the location of such...
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Inlet air fogging of marine gas turbine in power output loss compensation
PublicationThe use of inlet air fogging installation to boost the power for gas turbine engines is widely applied in the power generation sector. The application of fogging to mechanical drive is rarely considered in the literature [1]. This paper will cover some considerations relating to its application to gas turbines in ship drive. There is an important evaporative cooling potential throughout the world when the dynamic data is evaluated,...
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New potent STS inhibitors based on fluorinated 4-(1-phenyl-1H-[1,2,3]triazol-4-yl)-phenyl sulfamates
PublicationA series of fluorinated analogs based on the frameworks of 4-(1- phenyl-1H-[1,2,3]triazol-4-yl)-phenyl sulfamates have been synthesized as steroid sulfatase (STS) inhibitors. The design of chemical structures of new potential STS inhibitors was supported by molecular docking techniques to identify potential interactions between inhibitors and amino acid residues located in the STS active site. The STS inhibitory potency was evaluated...
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The Impact of Crushed Rock Spoil on Pitting Corrosion of Selected Stainless Steel
PublicationThe paper presents the results of the pitting resistance investigations of selected stainless steels in the chloride environment and the simultaneous impact of erosive factors using the cyclic polarization technique. Additionally, using electrochemical techniques, ie: electrochemical impedance spectroscopy (EIS) and measurement of corrosion potential, the behavior of the passive layer of selected stainless steels in the environment...
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Towards spectral sensitivity curve for two-photon vision mechanism
PublicationAbstract Purpose: The perceived brightness of different visible light sources can be compared with photometric units based on the standardized luminosity curves (300-780nm range). As reported previously (PNAS 111(50), pp. E5445-E5454 (2014)), near-infrared (NIR) radiation can cause isomerization of visual pigments by one- or two-photon absorption. The perceived color of the stimulus is red in the case of one-photon vision (1PV)...
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GreedyMAX-type Algorithms for the Maximum Independent Set Problem
PublicationA maximum independent set problem for a simple graph G = (V,E) is to find the largest subset of pairwise nonadjacent vertices. The problem is known to be NP-hard and it is also hard to approximate. Within this article we introduce a non-negative integer valued functionp defined on the vertex set V(G) and called a potential function of agraph G, while P(G) = max{vinV(G)| p(v)} is called a potential of G. For any graph P(G) <= D(G),...
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Infographics in Educational Settings: A Literature Review
PublicationInfographics are visual representations of data that utilize various graphic elements, including pie charts, bar graphs, line graphs, and histograms. Educators and designers can maximize the potential of infographics as powerful educational tools by carefully addressing challenges and capitalizing on emerging technologies. However, current education systems showcase the need for development guidelines and the best practices targeted...
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Prediction of Bioactive Peptides From Chicken Feather and Pig Hair Keratins Using In Silico Analysis Based on Fragmentomic Approach
PublicationBackground: Keratin is among the most abundant structural proteins of animal origin, however it remains broadly underutilized. Objective: Bioinformatic investigation was performed to evaluate selected keratins originating from mass-produced waste products, i.e., chicken feathers and pig hair, as potential sources of bioactive peptides. Methods: Pepsin, trypsin, chymotrypsin, papain, and subtilisin were used for in silico keratinolysis...
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Zastosowanie Modelu Pomorskiej Nagrody Jakości w organizacji pozarządowej na przykładzie Gdańskiej Spółdzielni Socjalnej
PublicationCelem przyjętym w tym opracowaniu jest przedstawienie uwarunkowań związanych z wykorzystaniem przez organizację pozarządową - Gdańską Spółdzielnię Socjalną modelu doskonałości będącego podstawą ubiegania się o Pomorską Nagrodę Jakości. W szczególności przeprowadzono diagnozę tej organizacji opartą na kryteriach tworzących „Potencjał” według wspomnianego modelu.
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Experimental observations on the creep behaviour of frozen soil
PublicationConstitutive models in the literature for creep of frozen soil are based on the direct use of time counted from the onset of creep. An explicit time dependence in a constitutive equation violates the principles of rational mechanics. No change in stress or temperature is allowed for during creep, using the time-based formulations. Moreover, the existing descriptions need much verification and improvement on the experimental side...
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A procedure for the identification of effective mechanical parameters of additively manufactured elements using integrated ultrasonic bulk and guided waves
PublicationThe subject of the current work was a simple but robust novel two-stage procedure for the non-destructive determination of effective elastic constants using ultrasonic wave propagation. First, ultrasonic bulk wave velocities measured on cubic samples were used to calculate most of the elements of the stiffness matrix. Secondly, the remaining elements were determined using the dispersion curves of elastic guided waves measured on...