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Impact of overloaded vehicles on load equivalency factors and service period of flexible pavements
PublikacjaOverloaded vehicles occur less frequently in comparison to properly loaded vehicles but due to their greater potential to cause damage they significantly contribute to the distress of pavement structure. As the studies show, the phenomena of vehicles overloading intensifies when the control of traffic is poor and the average percentage of overloaded vehicles on analyzed roads varies from 6% to 23%. The main goal of the ar-ticle...
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Behavior Based Complete Coverage Task of Unknown Area by an Autonomous Mobile Robot SCORPION with Static Obstacles in Environment
PublikacjaIn the paper the behavior based control system of an autonomous mobile robot SCORPION is presented to execute the one of the most difficult navigation task, which is the complete coverage task of unknown area with static obstacles in the environment. The main principle assumed to design control system was that the robot should cover all area only once, if it possible, to optimize the length of path and energy consumption. All commercial...
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Mass Spectrometric Identification of 13C-labeled Metabolites During anaerobic Propanoic Acid Oxidation
PublikacjaBiowaste digestion is a possibility to gain biogas as a renewable fuel source. However, the anaerobic food chain may be disrupted by, e.g., substrate overload or by inhibitors, leading to the accumulation of volatile fatty acids (VFAs), predominantly of propanoic acid (PA). VFA Accumulation may cause a rapid pH decrease, less biogas production, or even a total inhibition. To maintain high biogas productivity or to prevent a collapse...
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Maternal smoking Modulates Fatty Acid Profile of Breast Milk
PublikacjaAIM: We hypothesized that the fatty acid composition of breast milk can be affected by a smoking habit in the mother. Consequently, this study verified whether maternal smoking modulates, and if so to what extent, the breast milk fatty acid profile. METHODS: The study included 20 postpartum women who declared smoking more than five cigarettes daily throughout a period of pregnancy and lactation, and 136 non-smoking postpartum women....
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Network oscillations modulate interictal epileptiform spike rate during human memory
PublikacjaEleven patients being evaluated with intracranial electroencephalography for medically resistant temporal lobe epilepsy participated in a visual recognition memory task. Interictal epileptiform spikes were manually marked and their rate of occurrence compared between baseline and three 2 s periods spanning a 6 s viewing period. During successful, but not unsuccessful, encoding of the images there was a significant reduction in...
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Elektroniczne papierosy – (nie)bezpieczne palenie? Cz. 1 Charakterystyka i aspekty zdrowotne
PublikacjaWedług danych Światowej Organizacji Zdrowia (WHO) z 2015 roku, papierosy pali aż 1,1 miliarda osób, a palenie tytoniu powoduje rocznie śmierć aż 6 milionów ludzi. Uświadamia to skalę problemu i dowodzi, że pomimo licznych akcji społecznych przeciwko paleniu tytoniu, pozostaje on nadal nierozwiązany. W ostatnich latach ogromną popularność zyskały elektroniczne papierosy jako zdrowsza, tańsza i modniejsza alternatywa w stosunku do...
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Potential reduction of traffic noise by the means of increased fleet of electric vehicles using a combination of low-noise tyres and low-noise road surfaces
PublikacjaIn the future, the number of zero-emission vehicles like electric and plug-in hybrid vehicles (in electric mode) is expected to be a substantial part of the vehicle fleet. In Norway, such vehicles already account for approximately 20 % of all new cars sold. Since these vehicles emit negligible noise related to the power-train, the tyre/road noise is the dominating noise source. In the LEO project, tyres designed for such cars have...
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UDP-glukuronylotranferazy w metabolizmie detoksykacyjnym i aktywacyjnym związków endogennych oraz ksenobiotyków
PublikacjaGlukuronidacja jest główną drogą koniugacji w szlakach metabolizmu i wydalania związków endogennych oraz ksenobiotyków. Reakcja ta jest katalizowana przez UDP-glukuronylotransferazy, UGT, dla których substratami są bilirubina, hormony steroidowe, tyroidowe i kwasy żółciowe, oraz związki egzogenne, w tym leki, związki kancerogenne, chemiczne zanieczyszczenia środowiska i składniki żywności. Z terapeutycznego punktu widzenia szczególnie...
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Juices from non-typical edible fruits as health-promoting acidity regulators for food industry
PublikacjaThe study verifies the possibility of application of juices from selected fruits characterized by the high antioxidant potential as natural acidity regulators with improved nutritional properties. The tested non-typical fruits included mirabelle plum, sea buckthorn and blue-berried honeysuckle. Beetroot juice whose pH is about 6.0 served as a model food product. Potentiometric titration was used to compare the efficacy of tested...
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Optical and electrical properties of ultrathin transparent nanocrystalline boron-doped diamond electrodes
PublikacjaThe optical properties of ultrathin (less than 100 nm) boron-doped nanocrystalline diamond (B-NCD) film were investigated in a wavelength range of 200 ÷ 20000 nm. The B-NCD refractive index showed values close to that of monocrystalline diamond (n = 2.45) in a broad wavelength range (450 ÷ 4000 nm). A transmittance up to 70% and the average film thickness of 70 nm were achieved. A special cone-shaped shim was used in the deposition...
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Leukemia and risk of recurrent Escherichia coli bacteremia: genotyping implicates E. coli translocation from the colon to the bloodstream.
PublikacjaIn patients with leukemia, the portal(s) and reasons for the persistence of an Escherichia coli recurrent bacteremia remain unclear. Adult Hematology Clinic (AHC) databases at the State Clinical Hospital in Gdańsk were reviewed to evaluate the frequency of E. coli bacteremia between 2002 and 2005. Blood and bowel E. coli strains were obtained and the genetic relatedness of the strains was analyzed. The rate of E. coli bacteremia...
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Przykłady projektów : Projekty inwestycyjne twarde : Projekt budowy zadaszenia trybun areny sportowej w Kozłowie
PublikacjaW opracowaniu przedstawiono opis przypadku z działalności gospodarczej (ang. Case study) z obszaru działalności inwestycyjnej. Opisano przykład przygotowania i realizacji pro-jektu który zaliczany jest do kategorii „twardych” tj. wynik projektu ma charakter materialny. Przedmiotem opisu i analiz jest projekt budowy zadaszenia trybun areny sportowej w Kozło-wie, który był podprojektem większego projektu, który obejmował przebudowę...
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Physicochemical and Volatile Compounds Analysis of Fruit Wines Fermented with Saccharomyces cerevisiae: FTIR and Microscopy Study with Focus on Anti-Inflammatory Potential
PublikacjaThe growing trend in fruit wine production reflects consumers’ interest in novel, diverse drinking experiences and the increasing demand for healthier beverage options. Fruit wines made from kiwi, pomegranates, and persimmons fermented using S. bayanus Lalvin strain EC1118 demonstrate the versatility of winemaking techniques. Kiwifruit, persimmon, and pomegranate wines were analyzed using HPLC and GC-TOFMS analyses to determine...
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The effect of using jug-type water filters on selected metals concentration in tap water – a case study
PublikacjaIn this study, the effect of the filtration process on Na, K, Mg, Ca, Fe and Zn concentration in water, using filters from one of the leading European manufacturers, was investigated. The increase in Na (up to 300%) and K concentration (up to 320%) at the beginning of jug filter usage was reported. A decrease in Ca, Fe and Zn concentration was observed. Standard filters remove 80–90% of Mg from tap water at the beginning of the...
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Low-Cost Unattended Design of Miniaturized 4 × 4 Butler Matrices with Nonstandard Phase Differences
PublikacjaDesign of Butler matrices dedicated to Internet of Things and 5th generation (5G) mobile systems—where small size and high performance are of primary concern—is a challenging task that often exceeds capabilities of conventional techniques. Lack of appropriate, unified design approaches is a serious bottleneck for the development of Butler structures for contemporary applications. In this work, a low-cost bottom-up procedure for...
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Static Series and Shunt-series PE Voltage-quality Controllers
PublikacjaAs presented in the Chap. 7 static shunt power electronics (PE) voltage-quality controllers protect the utility electrical system from the unfavorable impact of customer loads. Shunt controllers, as shown in Chap. 6, are recommended mainly for mitigation of the causes of disturbances, and not their effects in distanced nodes of a power-electronics system. In the case when reduction of disturbances effects is required, which leads...
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Ti/TiO2 nanotubes sensitized PbS quantum dots as photoelectrodes applied for decomposition of anticancer drugs under simulated solar energy
PublikacjaOne of the challenges in research into photoelectrocatalytic (PEC) degradation of pollutants is finding the appropriate photoanode material, which has a significant impact on the process efficiency. Among all others, photoelectrodes based on an ordered TiO2 nanotube arrays are a promising material due to well-developed surface area and efficient charge separation. To increase the PEC activity of this material, the SILAR method was...
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Bio-Based Polyurethane Networks Derived from Liquefied Sawdust
PublikacjaThe utilization of forestry waste resources in the production of polyurethane resins is a promising green alternative to the use of unsustainable resources. Liquefaction of wood-based biomass gives polyols with properties depending on the reagents used. In this article, the liquefaction of forestry wastes, including sawdust, in solvents such as glycerol and polyethylene glycol was investigated. The liquefaction process was carried...
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Acid–Base Equilibrium and Self-Association in Relation to High Antitumor Activity of Selected Unsymmetrical Bisacridines Established by Extensive Chemometric Analysis
PublikacjaUnsymmetrical bisacridines (UAs) represent a novel class of anticancer agents previously synthesized by our group. Our recent studies have demonstrated their high antitumor potential against multiple cancer cell lines and human tumor xenografts in nude mice. At the cellular level, these compounds affected 3D cancer spheroid growth and their cellular uptake was selectively modulated by quantum dots. UAs were shown to undergo metabolic...
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Satellite Image Classification Using a Hierarchical Ensemble Learning and Correlation Coefficient-Based Gravitational Search Algorithm
PublikacjaSatellite image classification is widely used in various real-time applications, such as the military, geospatial surveys, surveillance and environmental monitoring. Therefore, the effective classification of satellite images is required to improve classification accuracy. In this paper, the combination of Hierarchical Framework and Ensemble Learning (HFEL) and optimal feature selection is proposed for the precise identification...
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Akustyczne zobrazowanie morskich osadów dennych
PublikacjaPrzedstawiany temat rozprawy doktorskiej: „Akustyczne zobrazowanie morskich osadów dennych”, prezentuje metody zobrazowania struktury osadów dennych pozyskanych z sondowania akwenu echosondą parametryczną SES-2000 Standard oraz urządzeniami pomocniczym — echosondą wielowiązkową EM3002 i sonarem bocznym. Tezą jest wykazanie, że metody akustyczne dają możliwość bezinwazyjnej klasyfikacji osadów dennych. Hipoteza zakłada, że istnieje...
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublikacjaThe present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...
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The Quantum Efficiency Roll-Off Effect in Near-Infrared Organic Electroluminescent Devices with Iridium Complexes Emitters
PublikacjaThe electroluminescence quantum efficiency roll-off in iridium(III)-based complexes, namely Ir(iqbt)2(dpm) and Ir(iqbt)3(iqbt=1 (benzo[b]thiophen-2-yl)-isoquinolinate, dpm=2,2,6,6-tetramethyl-3,5-heptanedionate) utilized as near-infrared emitters in organic light emitting diodes with remarkable external quantum efficiencies, up to circa 3%, 1.5% and 1%, are measured and analyzed. With a 5–6 weight % of emitters embedded...
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Hydrodynamic cavitation based advanced oxidation processes: Studies on specific effects of inorganic acids on the degradation effectiveness of organic pollutants
PublikacjaThe use of cavitation in advanced oxidation processes (AOPs) to treat acidic effluents and process water has become a promising trend in the area of environmental protection. The pH value of effluents – often acidified using an inorganic acid, is one of the key parameters of optimization process. However, in the majority of cases the effect of kind of inorganic acid on the effectiveness of degradation is not studied. The present...
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Fabrication of Durable Ordered Ta2O5 Nanotube Arrays Decorated with Bi2S3 Quantum Dots
PublikacjaOne of the most important challenges in the fabrication of ordered tantalum pentaoxide (Ta2O5) nanotube arrays (NTs) via the electrochemical method is the formation of nanotubes that adhere well to the Ta substrate. In this paper, we propose a new protocol that allows tight-fitting Ta2O5 nanotubes to be obtained through the anodic oxidation of tantalum foil. Moreover, to enhance their activity in the photocatalytic reaction, in...
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Zróżnicowanie państw Unii Europejskiej ze względu na stopień decentralizacji fiskalnej
PublikacjaArtykuł miał na celu porównanie stopnia decentralizacji wydatkowej w krajach UE. Oprócz celu głównego obrano cele szczegółowe, takie jak: identyfikacja cech państw, w których średni poziom decentralizacji wydatkowej był zbliżony, konfrontacja wyników z rezultatami przedstawianymi w literaturze, sprawdzenie przydatności metody analizy skupień do grupowania obiektów (krajów), gdy zmienną jest decentralizacja wydatkowa. Zakres badań...
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Surface Texture after Turning for Various Workpiece Rigidities
PublikacjaIn the paper, we present an analysis of the surface texture of turned parts with L/D (length/diameter) ratios of 6 and 12 and various rigidity values. The studies were carried out on samples made of S355JR steel and AISI 304 stainless steel. A detailed analysis of 2D surface profiles was carried out by using a large number of parameters that allowed us to distinguish significant differences in the surface microgeometry, which confirmed...
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Lighting conditions in Home Office and occupant’s perception: an international study
PublikacjaThe global pandemic and physical distancing restrictions are forcing us to rethink how residential buildings are used regarding the visual environment. This paper describes home office lighting conditions within different countries and continents. The aim is to define the current limitations of home offices in providing a resilient visual environment. The work was developed by a team of international experts working together on...
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Solvent dependency of carbon dioxide Henry's constant in aqueous solutions of choline chloride-ethylene glycol based deep eutectic solvent
PublikacjaThe Henry's constants of carbon dioxide absorbed in aqueous solutions of ethaline (choline chloride-ethylene glycol) were determined for temperatures ranging from 303.15 to 323.15 K based on solubility measurement at CO2 pressure ranging from 0 to 6 bar (0.6 MPa). These studies revealed that the Henry's constant increased with the increase of temperature. Data indicated the highest capacity of CO2 absorption is obtained for ethaline...
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Rekonstrukcja ewolucji układu przestrzennego średniowiecznego miasta i portu Szczecin Reconstruction of the Spatial Evolution of the Medieval City and Port of Szczecin
PublikacjaPraca rekonstruuje ewolucję układu osadniczego Szczecina w okresie od połowy VIII w. do początku XIV w., w oparciu o interpretację dostępnej literatury naukowej dotyczącej historii i archeologii Szczecina oraz metodę analizy planistycznej. Bardzo istotnym elementem opisu struktury urbanistycznej wczesnośredniowiecznego Szczecina było określenie roli i położenia portu. W wyniku analizy zmian układu przestrzennego miasta w omawianym...
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Role for chitin and chitooligomers in the capsular architecture of Cryptococcus neoformans
PublikacjaW pracy opisano wyniki badań nad rolą struktur zawierających N-acetylo-D-glukozaminę (GlcNAc) w tworzeniu kapsuły otaczającej komórki patogennych dla człowieka grzybów Cryptococcus neoformans. Ekspresja w warunkach in vivo chitooligomerów łączących polisacharydy kapsuły ze ścianą komórkową jest różna, w zależności od rodzaju zainfekowanej tkanki, co określono poprzez wykazanie różnej reaktywności komórek form drożdżowych C. neoformans...
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THREE-DIMENSIONAL numerical investigation of MHD nanofluid convective heat transfer inside a CUBIC porous container with corrugated bottom wall
PublikacjaSimultaneous use of porous media and nanofluid as a heat transfer improvement method has recently captivated a great deal of attention. The heat transfer and entropy production of the Cu-water nanofluid inside a cubic container with a heated bottom wavy wall and an elliptic inner cylinder were numerically analyzed in this study. The container is partitioned into two sections: the left side is filled with permeable media and...
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Materiały do poznania ważek (Odonata) Pojezierza Litewskiego (Polska północno-wschodnia), ze szczególnym uwzględnieniem Suwalskiego Parku Krajobrazowego, zebrane przy okazji XIX Sympozjum Sekcji Odonatologicznej Polskiego Towarzystwa Entomologicznego w 2023 r.
PublikacjaFrom 6-9 July 2023, the participants of the 19th Symposium of the Odonatological Section of the Polish Entomological Society carried out fieldwork on the dragonflies in and around the Suwałki Landscape Park (SPK) (NE Poland). The symposium was preceded by a field reconnaissance (8-10 June). The results of this fieldwork, which yielded 45 species at 22 sites, are presented and discussed. Three species...
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Psychometric assessment of the Internet Gaming Disorder diagnostic criteria: An Item Response Theory study
PublikacjaInternet Gaming Disorder (IGD) has been recognized by the American Psychiatric Association (APA) as a tentative disorder in the latest fifth revision of the Diagnostic and Statistical Manual of Mental Disorders (DSM-5). In order to advance research on IGD, the APA has suggested that further research on the nine IGD criteria to investigate its clinical and empirical feasibility is necessary. The aim of the present study was to...
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Modification of titanium dioxide with platinum ions and clusters: application in photocatalysis
PublikacjaW celu polepszenia właściwości fotokatalitycznych, TiO2 (komercyjny-P25 oraz syntezowany metoda zol-żel) był domieszkowany za pomocą jonów lub klasterów [Pt3(CO)6]62- platyny. Własności fizyczne fotokatalizatorów były badane za pomocą elektronowego mikroskopu transmisyjnego (TEM), dyfraktometru rentgenowskiego (XRD) oraz analizatora powierzchni właściwej (BET). Dyfuzyjna spektrometria odbiciowa (DRS) została zastosowana w celu...
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Biochemical assays of intensified methane content in biogas from low-temperature processing of waste activated sludge
PublikacjaAnaerobic digestion (AD) is implemented as an important ‘waste to energy’ approach for converting organic-rich byproducts such as sewage sludge into biogas and nutrient-rich digestate. Sewage sludge consists of primary sludge and waste activated sludge (WAS), and low biodegradability of WAS limits methane production. This study presents the influence of the low-temperature pretreatment (LT-PT) of WAS on the efficiency of AD. Different...
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Development of a simulation model of the activities of a transport and forwarding enterprise in the organization of international road cargo transportation
PublikacjaThe object of this study is the process of planning the work of a transport and forwarding company when serving different categories of customers who need organizational support for the delivery of goods by road transport in international traffic. The solved problem is due to the need to devise recommendations for organizing the work of forwarders when interacting with customers of transport and forwarding services that export...
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Enhanced electrochemical activity of boron-doped nanocarbon functionalized reticulated vitreous carbon structures for water treatment applications
PublikacjaAn extraordinary charge transfer kinetics and chemical stability make a boron-doped diamond (BDD) a prom- ising material for electrochemical applications including wastewater treatment. Yet, with flat geometrical sur- faces its scaling options are limited. In this study, the reticulated Vitreous Carbon (RVC) served as a substrate for boron-doped diamondized nanocarbons (BDNC) film growth resulting with complex heterogeneity carbon structures...
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Dissimilar autogenous TIG joint of Alloy 617 and AISI 304H steel for AUSC application
PublikacjaTo reduce costs and improve high-temperature performance in Advanced Ultra Super Critical (AUSC) boilers, it is necessary to weld austenitic steel to Inconel alloy. In this study, the autogenous tungsten inert gas (TIG) welding process was used to join Alloy 617 and an austenitic AISI 304H steel plate of thickness 5 mm. Microstructural analysis showed that the microstructure formation was uneven along the weldments, with columnar...
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Non-ergodic fragmentation upon collision-induced activation of cysteine–water cluster cations
PublikacjaCysteine–water cluster cations Cys(H2O)3,6 + and Cys(H2O)3,6H+ are assembled in He droplets and probed by tandem mass spectrometry with collision-induced activation. Benchmark experimental data for this biologically important system are complemented with theory to elucidate the details of the collisioninduced activation process. Experimental energy thresholds for successive release of water are compared to water dissociation energies...
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Chemical structures, rheological and physical properties of biopolyols prepared via solvothermal liquefaction of Enteromorpha and Zostera marina biomass
PublikacjaIn this work, liquefied biomass from the Baltic Sea was used for the preparation of rigid polyurethane (PUR) foams. The biomass contained 10 wt% of Enteromorpha macroalgae and 90 wt% of Zostera marina seagrass characterized by a high content of cellulose. The influence of time, temperature and the type of solvent on the efficiency of the liquefaction process and properties of biopolyols was determined. Obtained materials were analyzed...
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Psychometric assessment of the Internet Gaming Disorder diagnostic criteria: An Item Response Theory study
PublikacjaInternet Gaming Disorder (IGD) has been recognized by the American Psychiatric Association (APA) as a tentative disorder in the latest fifth revision of the Diagnostic and Statistical Manual of Mental Disorders (DSM-5). In order to advance research on IGD, the APA has suggested that further research on the nine IGD criteria to investigate its clinical and empirical feasibility is necessary. The aim of the present study was to develop...
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Dielectric Properties of BiNbO<sub>4</sub>-Based Ceramic-Polymer Composites with 0-3 Connectivity
PublikacjaIn the present study two-phase BiNbO4//PVDF composites with 0-3 connectivity were studied by impedance spectroscopy within the frequency range Δν=100Hz-1MHz at room temperature. Polyvinylidene fluoride (PVDF) acted as a matrix whereas bismuth niobate (BiNbO4) powder acted as a dispersed phase. The volume fraction of the ceramic phase was cV=2, 4, 6, 8, 10, 16 and 20vol%. Analysis of the impedance data registered for composites...
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Zero-knowledge convincing protocol on quantum bit is impossible
PublikacjaIt is one of fundamental features of quantum formalism that o n one hand it provides a new infor- mation processing resources and on the other hand puts funda mental constraints on the processing of quantum information implying “no-go” theorems for cloni ng [1–3], bit commitment [4, 5] and deleting [6] in quantum theory. Here we ask about possibilit y of “zero knowledge” scenario which, for its simplicity, can be considered as...
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Adipokine and cytokine levels in non-functioning adrenal incidentalomas (NFAI)
PublikacjaDue to the fact that overweight or obesity is accompanied by hormonally active adrenal tumors: Cushing Syndrome-(CS) and Subclinical Cushing Syndrome (SCS), it is of high interest the correlation between different adipokines and cytokines secreted by adipose tissue, with metabolic disorders and hormonal activity in this group. Even in non-functioning adrenal incidentalomas (NFAI) elevated risk for cardiovascular disease and metabolic...
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A New Rehabilitation Device for Balance Impaired Individuals
PublikacjaIn the paper authors present a device designed to improve the rehabilitation process of people with balance impairment. The discussed device (JStep) utilizes a commercially available static standing frame (stander) modified in order to fit force sensing units under the feet and in the pillows around the hips of a patient. While executing rehabilitation tasks, the patient may compensate his balance deficiency by leaning on the pillows...
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Temperature influence on tyre/road noise on poroelastic road surface based on laboratory measurements
PublikacjaThe temperature effect on measured tyre/road noise is very important phenomena as it may lead to significant errors in measurement results due to substantial influence of this parameter on the obtained values. It depends mainly on the particular tyre-road combination. It is different for dense and porous as well as for bituminous and cement concrete pavements. It differs also depending on tested tyre. The correction procedure for...
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An overview of the strategies for the deammonification process start-up and recovery after accidental operational failures
PublikacjaThe deammonification process has been universally acknowledged as an energy-efficient technology for sewage disposal. In contrast with traditional biological nitrogen removal technology, the deammonification process is able to remove ammonia from wastewater with the simplest nitrogen removal process because of its advantages of lower operating expenses, no organic carbon consumption, lower biomass production, lower carbon dioxide...
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Dyskalkulia – „szansa" czy problem przyszłorocznych maturzystów
PublikacjaCoraz częściej mówi się o specyficznych trudnościach w uczeniu się czytania (dysleksja), poprawnej pisowni (dysortografia) i dbaniu o właściwy poziom graficzny pisma (dysgrafia). Określenie specyficzne wskazuje na wąski zakres trudności w uczeniu się i ich szczególny charakter. Według prowadzonych badań ocenia się, że specyficzne trudności w nauce dotyczą 10–15% populacji wszystkich uczniów (w międzynarodowej klasyfikacji chorób...
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Geometry optimization of steroid sulfatase inhibitors - the influence on the free binding energy with STS
PublikacjaIn the paper we review the application of two techniques (molecular mechanics and quantum mechanics) to study the influence of geometry optimization of the steroid sulfatase inhibitors on the values of descriptors coded their chemical structure and their free binding energy with the STS protein. We selected 22 STS-inhibitors and compared their structures optimized with MM+, PM7 and DFT B3LYP/6–31++G* approaches considering separately...