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Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublicationThe radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck–Condon (FC), Herzberg–Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and...
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Optimization of Train Energy Cooperation Using Scheduled Service Time Reserve
PublicationThe main aim of the paper was to develop an innovative approach to the preliminary estimation possibility of train energy cooperation based on data from timetables, without traction calculations. The article points out the need to strive for sustainable and environmentally friendly transport. It was pointed out that rail transport using electric traction is one of the more ecological branches of transport. It also offers a number...
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Uczenie maszynowe do samoorganizacji systemów rozproszonych w zastosowaniach gospodarczych
PublicationW pracy omówiono uczenie maszynowe do samoorganizacji systemów rozproszonych w zastosowaniach gospodarczych ze szczególnym uwzględnieniem sieci neuronowych do predykcji finansowych oraz szacowania ratingu przedsiębiorstw. Oprócz sieci neuronowych, istotną rolę w przygotowaniu i testowaniu informatycznych systemów finansowych może pełnić programowanie genetyczne. Z tego powodu omówiono uczenie maszynowe w aplikacjach konstruowanych...
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Wyznaczanie współczynnika przejmowania ciepła podczas wrzenia w przepływie dwutlenku węgla (Prediction of flow boling heat transfer coefficient for carbon dioxide in minichannels)
PublicationW pracy przedstawiono wyniki obliczeń uzyskane za pomocą własnego modelu półemirycznego dla wybranych danych eksperymentalnych dla wrzenia w przepływie dwutlenku węgla. Metoda obliczeniowa została zweryfikowana z danymi eksperymentalnymi Docoulombiera i innych (2011) oraz Mastrullo i innych (2009). Badania eksperymentalne dotyczą pełnego zakresu zmienności stopnia suchości oraz zakresu prędkości masowej G=200-1200 kg/m2s. rozwijany...
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The Role of Electron Transfer in the Fragmentation of Phenyl and Cyclohexyl Boronic Acids
PublicationIn this study, novel measurements of negative ion formation in neutral potassium-neutral boronic acid collisions are reported in electron transfer experiments. The fragmentation pattern of phenylboronic acid is comprehensively investigated for a wide range of collision energies, i.e., from 10 to 1000 eV in the laboratory frame, allowing some of the most relevant dissociation channels to be probed. These studies were performed in...
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The reduction of auxiliaries power demand: The challenge for electromobility in public transportation
PublicationAn important role in the consumption of electric energy in urban transport are non-traction needs (auxiliaries), the main part of which is heating and air condition (HVAC). Auxiliaries are responsible for almost half of total energy consumption (normal weather conditions) and in the winter (or hot summer) it reaches up to 70% in daily scale. The reduction of energy used for non-traction needs is currently the main challenge related...
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Experimental investigation of joint with positive eccentricity in CFS truss
PublicationDue to technological restrictions, in the case of trusses made of CFS open cross-sections, positive eccentricities in the truss joints have become very frequent. Therefore studies concerning the load-bearing capacity of truss joints with positive eccentricity were undertaken. It was assumed that the resistance of cold-formed steel (CFS) open cross-section truss joints located on compression chords and with positive eccentricity...
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Degradation of Kinematic PPP of GNSS Stations in Central Europe Caused by Medium-Scale Traveling Ionospheric Disturbances During the St. Patrick’s Day 2015 Geomagnetic Storm
PublicationIn solar cycle 24, the strongest geomagnetic storm took place on March 17, 2015, when the geomagnetic activity index was as high as -223 nT. To verify the impact that the storm had on the Global Navigation Satellite System (GNSS)’s positioning accuracy and precision, we used 30-s observations from 15 reference stations located in Central Europe. For each of them, we applied kinematic precise point positioning (PPP) using gLAB software...
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Mechanical and structural investigations of wings of selected insect species
PublicationThis paper presents research and measurements leading to obtaining the Young’s modulus of wing bearing structures of selected insect species. A small testing machine intended for three-point bending and equipped with instruments registering low forces was constructed for the needs of the experiment. The machine was used to perform numerous bending tests of wings of three species of insects (obtained from a breeding farm): Attacus...
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The share of investments in gold and oil using the example of selected European stock exchanges– A comparative analysis
PublicationIn this article, optimal investment portfolios with minimal risk and maximum efficiency were calculated. The portfolios were designated for ten selected European stock exchanges, based on the listings of the twenty largest companies in each of those markets. All calculations were made based on company shares only, company shares and investments in gold, shares of companies and investments in crude oil as well as shares of companies...
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Asphalt Overlay Enhancement with Fatigue High-Performing Multiaxial Geocomposite
PublicationThe use of gecomposite incorporating multiaxial geogrid and non-woven fabric of high bitumen retention in asphalt overlays results in the increase of life of the designed pavement structure. Such an approach can offer an opportunity to increase the fatigue life (higher traffic capacity) without the need to increase asphalt overlay thickness or to reduce the thickness of asphalt overlay without reduction of pavement life eventually....
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The interactions of monomeric acridines and unsymmetrical bisacridines (UAs) with DNA duplexes: an insight provided by NMR and MD studies
PublicationMembers of a novel class of anticancer compounds, exhibiting high antitumor activity, i.e. the unsymmetrical bisacridines (UAs), consist of two heteroaromatic ring systems. One of the ring systems is an imidazoacridinone moiety, with the skeleton identical to the structural base of Symadex. The second one is a 1-nitroacridine moiety, hence it may be regarded as Nitracrine’s structural basis. These monoacridine units are connected...
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Vibrational Quenching of Optically Pumped Carbon Dimer Anions
PublicationCareful control of quantum states is a gateway to research in many areas of science such as quantum information, quantum-controlled chemistry, and astrophysical processes. Precise optical control of molecular ions remains a challenge due to the scarcity of suitable level schemes, and direct laser cooling has not yet been achieved for either positive or negative molecular ions. Using a cryogenic wire trap, we show how the internal...
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Experimental and numerical analysis of the pyrolysis dynamics of a single wood particle: presentation of the radiographic technique
PublicationPyrolysis is an oxygen-free process for the thermal decomposition of raw materials. The heat conduction and flow of pyrolysis products (i.e., the gas fraction and liquid vapour generated during pyrolysis) influence the process and products. In this work, the influence of the orientation of wooden particle fibres with respect to the direction of the heat source on the dynamics of the process was investigated, where there were two...
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Superconductivity in a breathing kagome metals ROs2 (R = Sc, Y, Lu)
PublicationWe have successfully synthesized three osmium-based hexagonal Laves compounds ROs2 (R = Sc, Y, Lu), and discussed their physical properties. LeBail refinement of pXRD data confirms that all compounds crystallize in the hexagonal centrosymmetric MgZn2- type structure (P63/mmc, No. 194). The refined lattice parameters are a = b = 5.1791(1) Å and c = 8.4841(2) Å for ScOs2, a = b = 5.2571(3) Å and c = 8.6613(2) Å for LuOs2 and a =...
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Modelling charge transfer processes in C2+ -tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks
PublicationInvestigations of collision-induced processes involving carbon ions and molecules of biological interest in particular DNA building blocks, are crucial to model the effect of radiation on cells in order to improve medical treatments for cancer therapy. Using carbon ions appears to be one of the most efficient ways to increase biological effectiveness to damage cancerous cells by irradiating deep-seated tumors. Therefore, interest...
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Processing of point cloud data retrieved from terrestrial laser scanning for structural modeling by Finite Element Method
PublicationFinite Element Method is one most popular contemporary method of strength analysis. The method is an advanced method for solving differential equations, based on discretization, which means that area is divided into finite elements. Each finite element has a solution of the equation approximated by specific functions and performing the actual calculations only for nodes of this division. Finite Element Method is widely used in...
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Forced degradation studies of ivabradine and in silico toxicology predictions for its new designated impurities
PublicationAll activities should aim to eliminate genotoxic impurities and/or protect the API againstdegradation. There is a necessity to monitor impurities from all classification groups,hence ivabradine forced degradation studies were performed. Ivabradine was provedto be quite durable active substance, but still new and with insufficient stability data.Increased temperature, acid, base, oxidation reagents and...
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Analysis of IMS/NGN call processing performance using phase-type distributions
PublicationThis work is a continuation of our research on the traffic model dedicated for design and analysis of the Next Generation Network (NGN), which is standardized for distribution of current and future multimedia services based on the IP Multimedia Subsystem (IMS). Our analytical and simulation models allow evaluation of mean Call Set-up Delay E(CSD) as well as mean Call Disengagement Delay E(CDD) in a single domain of IMS/NGN. Ensuring...
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The FEM analysis of pressure installation elements after simulated accidental overheating
PublicationThe paper presents innovative analysis focused on the safety aspects of existing pressure installation operation after overheating accidents. Results presented here can be applied in decision-making process concerning further operation of existing pressure installation after cooling system failure. In this paper the results of FEM analysis performed for a straight pipe and 90 degrees elbow, made of super duplex stainless steel,...
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Vibrational Sum-Frequency Generation Activity of a 2,4-Dinitrophenyl Phospholipid Hybrid Bilayer: Retrieving Orientational Parameters from a DFT Analysis of Experimental Data
PublicationThe vibrational nonlinear activity of films of 2,4-dinitrophenyl phospholipid (DNP) at the solid interface is measured by sum-frequency generation spectroscopy (SFG). Hybrid bilayers are formed by a LangmuirSchaefer approach in which the lipid layer is physisorbed on top of a self-assembled monolayer of dodecanethiol on Pt with the polar heads pointing out from the surface. The SFG response is investigated in two vibrational frequency...
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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
PublicationIn 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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Influence of the notch rounding radius on estimating the elastic notch stress concentration factor in a laser welded tee joint
PublicationIn recent years an increased interest of industry in sandwich-type metal structures can be observed. These structures consist of thin plates of 2.5 mm in thickness separated by stiffeners of different shapes and forms. Welds joining the plates and stiffeners are made on the outer side of the plates using laser welding technique. A locally focused source of heat causes the plate to melt creating a very narrow and elongated joint....
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Analysis of IMS/NGN Call Processing Performance Using Phase-Type Distributions Based on Experimental Histograms
PublicationThe paper describes our further research done with the proposed analytical and simulation traffic models of the Next Generation Network (NGN), which is standardized for delivering multimedia services with strict quality and includes elements of the IP Multimedia Subsystem (IMS). The aim of our models of a single IMS/NGN domain is to evaluate two standardized call processing performance parameters, which appropriate values are very...
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An Experimental and Numerical Analysis of Water Hammer Phenomenon in Slurries
PublicationThe analysis of slurry transportation in pressure pipelines is important both from practical and theoretical point of view. Due to the nature of the medium, the number of problems arising in the course of design, operation, measurements and mathematical modeling is much higher compared to the cases where the flowing liquid is homogeneous. The equations describing the flow are more complex, and higher number of the parameters is...
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Singlet oxygen-dominated peroxymonosulfate activation by layered crednerite for organic pollutants degradation in high salinity wastewater
PublicationAdvanced oxidation processes have been widely studied for organic pollutants treatment in water, but the degradation performance of radical-dominated pathway was severely inhibited by the side reactions between the anions and radicals, especially in high salinity conditions. Here, a singlet oxygen (1O2)-dominated non-radical process was developed for organic pollutants degradation in high salinity wastewater, with layered crednerite...
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Heave Plates with Holes for Floating Offshore Wind Turbines
PublicationThe paper presents an innovative solution which is heave plates with holes. The long-known heave plates are designed to damp the heave motion of platforms. They are most often used for Spar platforms. The growing interest in this type of platform as supporting structures for offshore wind turbines makes it necessary to look for new solutions. Based on the available literature and the authors’ own research, it was concluded that...
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Ultrasound-Assisted Dispersive Liquid-Liquid Microextraction Using Deep Eutectic Solvents (DESs) for Neutral Red Dye Spectrophotometric Determination
PublicationDeep eutectic solvents (DES), which have low toxicity and are low cost, biodegradable, and easily synthesized, were used for the extraction of neutral red (NR) dye before its spectrophotometric analysis. DES, containing choline chloride as a hydrogen bond acceptor and phenol as a hydrogen bond donor with a molar ratio of 1:2, was used for the extraction of NR dye from aqueous media. The possible interaction of different DESs with...
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Comparative analysis of thermodynamic cycles of selected nuclear ship power plants with high-temperature helium-cooled nuclear reactor
PublicationThis paper presents a comparative analysis of thermodynamic cycles of two ship power plant systems with a high-temperature helium- cooled nuclear reactor. The first of them is a gas system with recuperator , in which classical gas chamber is substituted for a HTGR reactor (High Temperature Gas-cooled Reactor) . The second of the considered cycles is a combined gas-steam system where working medium flux from gas turbine outlet...
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Modelling the time-dependent behaviour of soft soils
PublicationTime-dependence of soft soils has already been thoroughly investigated. The knowledge on creep and relaxation phenomena is generally available in the literature. However, it is still rarely applied in practice. Regarding the organic soils, geotechnical engineers mostly base their calculations on the simple assumptions. Yet, as presented within this paper, the rate-dependent behaviour of soft soils is a very special and important...
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An unusual four-nuclear Pb(II)-pyrrole-2-carboxylato polymer: The effect of the lone pair and non-covalent interactions on the supramolecular assembly and fluorescence properties
PublicationThe reaction of Pb(NO3)2 with 1H-pyrrole-2-carboxylic acid (2prCOOH) leads to the formation of a new four-nuclear Pb(II) polymer, [Pb4(2prCOO)8(H2O)]n, which has been characterized by CHN, FT-IR, TG, PL and single-crystal X-ray diffraction methods. In view of the primary Pb–O bonds, Pb1 and Pb3 show hemidirected pentagonal pyramidal geometries, while Pb2 and Pb4 display hemidirected octahedral geometries. The topology of the strongest...
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Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety
PublicationFour sulfonamide derivatives with a methoxyphenyl moiety, namely N-{4-[(2-methoxyphenyl)sulfamoyl] phenyl}acetamide (1a), N-{4-[(3-methoxyphenyl)sulfamoyl]phenyl}acetamide (1b), 4-amino-N-(2- methoxyphenyl)benzenesulfonamide (2a) and 4-amino-N-(3-methoxyphenyl)benzenesulfonamide (2b), have been synthesized and characterized physiochemically by CHNS, MS, FT-IR, 1H NMR, 13C NMR, PXRD and TG methods. Crystal structures were determined...
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Stable Field Electron Emission and Plasma Illumination from Boron and Nitrogen Co‐Doped Edge‐Rich Diamond‐Enhanced Carbon Nanowalls
PublicationSuperior field electron emission (FEE) characteristics are achieved in edge-rich diamond-enhanced carbon nanowalls (D-ECNWs) grown in a single-step chemical vapor deposition process co-doped with boron and nitrogen. The structure consists of sharp, highly conductive graphene edges supplied by a solid, diamond-rich bottom. The Raman and transmission electron microscopy studies reveal a hybrid nature of sp3-diamond and sp2-graphene...
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Towards evaluation of the Second Generation Intact Stability Criteria - examination of a fishing vessel vulnerability to surf-riding, based on historical capsizing
PublicationThe Second Generation Intact Stability Criteria (SGISC) are the latest achievements in the field of intact ship stability assessment. The criteria are the result of massive international cooperative efforts and extensive research that lasted more than 15 years. Even though they are based on a solid scientific foundation, the trial period has commenced to collect user experience and further validation. One of possible approaches...
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Limits of enhanced of macro- and meso-scale continuum models for studying size effect in concrete under tension
PublicationThe paper investigates a mechanical quasi-static size effect in concrete during splitting tension at the macro- and meso-level. In experiments, five different diameters of cylindrical concrete specimens were tested. Twodimensional plane strain finite element (FE) simulations were carried out to reproduce the experimental size effect. The size effect in experiments by Carmona et al. was also simulated. Two enhanced continuum concrete...
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ANALIZA AERODYNAMICZNA ŁOPAT NA PRZYKŁADZIE PROJEKTU DWUWIRNIKOWEJ TURBINY WIATROWEJ MAŁEJ MOCY
PublicationW artykule przedstawiono proces projektowania oraz analizy aerodynamicznej łopat turbiny wiatrowej z wykorzystaniem metody BEMT (ang. Blade Element Momentum Theory). Dokonano doboru profili aerodynamicznych oraz opisano procedurę wyznaczania optymalnego rozkładu kątów zwichrowania i długości cięciw profili w funkcji długości łopaty dla założonych parametrów wejściowych. Dokonano obliczenia działających sił oraz generowanej mocy...
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Ocena zasobów oraz weryfikacja granic obszaru ochronnego GZWP nr 133 Młotkowo za pomocą numerycznego modelu przepływu wód podziemnych
PublicationModel Głównego Zbiornika Wód Podziemnych powstał w celu dokonania oceny dostępnych zasobów wód oraz zweryfikowania granic strefy ochronnej. GZWP Młotkowo jest położony w południowej części Pojezierza Krajeńskiego. Ze względu na konieczność weryfikacji granic zbiornika wyznaczonych przez Kleczkowskiego i in. (1990) do badań modelowych przyjęto obszar cztery razy większy niż rozmiar GZWP. W celu osiągnięcia najbardziej wiarygodnych...
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Metoda obliczania skutków wdrożenia strategii zarządzania popytem na energię elektryczną (DSM/DSR) w systemach elektroenergetycznych
PublicationW niniejszej rozprawie poruszono zagadnienie strategii zarządzania popytem na energię elektryczną (DSM/DSR) i sposobów obliczania efektów ich wdrożenia. W związku z tym opisano oczekiwane efekty wdrożenia tych rozwiązań oraz ich zalety i wady. Zaprezentowano i przeanalizowano istniejące już metody obliczania skutków wdrożenia DSM/DSR. Zaproponowano nową metodę, która poprzez formę algorytmu uporządkowuje proces obliczania i oceny...
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Towards a multi-basin SWAT model for the migration of nutrients and pesticides to Puck Bay (Southern Baltic Sea)
PublicationBackground This paper analyzes the impact of changes in fertilization on crop yields and the runoff of nutrients from a small agricultural catchment (176 km2) to a shallow bay, using the SWAT model. Puck Bay is part of the Gulf of Gdansk and belongs to the Baltic Sea. The whole area of Puck Bay (364 km2) is protected (Natura 2000) yet despite this it suffers from eutrophication problems due to the relatively minimal depth and...
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PTD4 Peptide Increases Neural Viability in an In Vitro Model of Acute Ischemic Stroke
PublicationIschemic stroke is a disturbance in cerebral blood flow caused by brain tissue ischemia and hypoxia. We optimized a multifactorial in vitro model of acute ischemic stroke using rat primary neural cultures. This model was exploited to investigate the pro-viable activity of cell-penetrating peptides: arginine-rich Tat(49–57)-NH2 (R49KKRRQRRR57-amide) and its less basic analogue, PTD4 (Y47ARAAARQARA57-amide). Our model included glucose...
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Iridium 5d -electron driven superconductivity in ThIr3
PublicationA polycrystalline sample of superconducting ThI r 3 was obtained by arc-melting Th and Ir metals. Powder x-ray diffraction revealed that the compound crystalizes in a rhombohedral crystal structure (R-3m, s.g. #166) with the lattice parameters: a = 5.3394 ( 1 ) Å and c = 26.4228 ( 8 ) Å . Normal and superconducting states were studied by magnetic susceptibility, electrical resistivity, and heat capacity measurements. The results...
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FLUID BED COATING OF MINITABLETS AND PELLETS WITH OPTIMIZATION OF THE PROCESS BASED ON TAGUCHI METHOD
PublicationSmall particles like pellets are coated in fluid bed systems. This method can be also feasible for minitablets but the selection of optimal process parameters is complicated. The aim of the research was to optimize the coating process for minitablets and to compare the conditions required for pellets. Minimum fluidization velocities (umf) for 2.0 and 2.5 mm minitablets and 0.7-0.8 mm or 1.0-1.25 mm pellets were determined experimentally....
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Amides as models to study the hydration of proteins and peptides — spectroscopic and theoretical approach on hydration in various temperatures
PublicationInteractions with water are one of the key factors which determine protein stability and activity in aqueous solutions. However, the protein hydration is still insufficiently understood. N-methylacetamide (NMA) is regarded as a minimal part of the peptide backbone and the relative simplicity of its structure makes it a good model for studies on protein–water interactions. In this paper, the influence of NMA and N,N-dimethylacetamide...
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Modelling of saturated, subcooled and post-dryout flow boiling with the energy dissipation based semi-empirical model
PublicationA comprehensive semi-empirical model for saturated, subcooled and post dryout heat transfer is presented based on considerations of energy dissipation in the flow. The fundamental hypothesis in the model is the fact that heat transfer during flow boiling can be treated as a sum of two contributions constituting the total energy dissipation in the flow, namely the energy dissipation due to the shearing flow without the bubbles and...
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Kinetics of molecular decomposition under irradiation of gold nanoparticles with nanosecond laser pulses—A 5-Bromouracil case study
PublicationABSTRACT Laser illuminated gold nanoparticles (AuNPs) efficiently absorb light and heat up the surrounding medium, leading to versatile applications ranging from plasmonic catalysis to cancer photothermal therapy. Therefore, an in-depth understanding of the thermal, optical, and electron induced reaction pathways is required. Here, the electrophilic DNA nucleobase analog 5-Bromouracil (BrU) has been used as a model compound to...
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Subcritical Thermodynamic Cycles with Organic Medium and Isothermal Expansion
PublicationThe efffciencies of the Organic Rankine Cycle (ORC) are not very high and only very seldom do they exceed 20%. The increase and optimization of initial parameters and certain modifications of the thermodynamic cycle make it possible to overcome these drawbacks. A new modified cycle has been described and analyzed in detail in the paper. Similarly to the Ericsson cycle for gas turbines, isothermal expansion in the turbine is suggested...
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The mechanisms of degradation of titanium dental implants
PublicationTitanium dental implants show very good properties, unfortunately there are still issues regarding material wear due to corrosion, implant loosening, as well as biological factors—allergic reactions and inflammation leading to rejection of the implanted material. In order to avoid performing reimplantation operations, changes in the chemical composition and/or modifications of the surface layer of the materials are used. This research...
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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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Effect of Aromatic System Expansion on Crystal Structures of 1,2,5-Thia- and 1,2,5-Selenadiazoles and Their Quaternary Salts: Synthesis, Structure, and Spectroscopic Properties
PublicationRational manipulation of secondary bonding interactions is a crucial factor in the construction of new chalcogenadiazole-based materials. This article reports detailed experimental studies on phenanthro[9,10-c][1,2,5]chalcogenadiazolium and 2,1,3-benzochalcogenadiazolium salts and their precursors. The compounds were synthesized, characterized employing NMR and UV-Vis spectroscopy. TD-DFT calculations were also performed. The influence...
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A new type of (TiZrNbTaHf)N/MoN nanocomposite coating: Microstructure and properties depending on energy of incident ions
PublicationA novel (TiZrNbTaHf)N/MoN nanocomposite coatings, which consist of the nitride of the high-entropy alloy and the binary nitride, were synthesized by vacuum-arc deposition at various substrate biases. The elemental composition, chemical bonding state, phase structure, microstructure and mechanical properties of the coatings were studied by high-resolution experimental methods: SIMS, GDMS, XPS, XRD, HR-TEM and nano-indentation. It...