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Modelling charge transfer processes in C2+ -tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks
PublikacjaInvestigations 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
PublikacjaFinite 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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Analysis of IMS/NGN Call Processing Performance Using Phase-Type Distributions Based on Experimental Histograms
PublikacjaThe 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
PublikacjaThe 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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Comparative analysis of thermodynamic cycles of selected nuclear ship power plants with high-temperature helium-cooled nuclear reactor
PublikacjaThis 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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Mechanical and structural investigations of wings of selected insect species
PublikacjaThis 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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Modelling the time-dependent behaviour of soft soils
PublikacjaTime-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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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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Vibrational Sum-Frequency Generation Activity of a 2,4-Dinitrophenyl Phospholipid Hybrid Bilayer: Retrieving Orientational Parameters from a DFT Analysis of Experimental Data
PublikacjaThe 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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Singlet oxygen-dominated peroxymonosulfate activation by layered crednerite for organic pollutants degradation in high salinity wastewater
PublikacjaAdvanced 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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The share of investments in gold and oil using the example of selected European stock exchanges– A comparative analysis
PublikacjaIn 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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Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety
PublikacjaFour 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
PublikacjaSuperior 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
PublikacjaThe 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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Heave Plates with Holes for Floating Offshore Wind Turbines
PublikacjaThe 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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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
PublikacjaThe 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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The Role of Electron Transfer in the Fragmentation of Phenyl and Cyclohexyl Boronic Acids
PublikacjaIn 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
PublikacjaAn 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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The interactions of monomeric acridines and unsymmetrical bisacridines (UAs) with DNA duplexes: an insight provided by NMR and MD studies
PublikacjaMembers 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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Limits of enhanced of macro- and meso-scale continuum models for studying size effect in concrete under tension
PublikacjaThe 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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Metoda obliczania skutków wdrożenia strategii zarządzania popytem na energię elektryczną (DSM/DSR) w systemach elektroenergetycznych
PublikacjaW 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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ANALIZA AERODYNAMICZNA ŁOPAT NA PRZYKŁADZIE PROJEKTU DWUWIRNIKOWEJ TURBINY WIATROWEJ MAŁEJ MOCY
PublikacjaW 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
PublikacjaModel 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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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublikacjaThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Polaronic and Mott insulating phase of layered magnetic vanadium trihalide VCl3
PublikacjaTwo-dimensional (2D) van der Waals (vdW) magnetic 3d-transition metal trihalides are a new class of functional materials showing exotic physical properties useful for spintronic and memory storage applications. In this article, we report the synthesis and electromagnetic characterization of single-crystalline vanadium trichloride, VCl 3 , a novel 2D layered vdW Mott insulator, which has a rhombohedral structure (R3, No. 148) at...
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Investigations of Energy Conversion and Surface Effect for Laser-Illuminated Gold Nanorod Platforms
PublikacjaAchieving a quick temperature increase is a burning issue for biophysical applications, like germ inactivation and tumor ablation, and for energy performances, like solar collectors and steam generators. Based on the plasmon resonance phenomenon, noble metallic nanoparticles have emerged as promising weapons due to their very high biocompatibility, optical properties, and high surface-to-volume ratio, increasing energy conversion...
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Biochemical, Structural Analysis, and Docking Studies of Spiropyrazoline Derivatives
PublikacjaIn this study, we evaluated the antiproliferative potential, DNA damage, crystal struc‐ tures, and docking calculation of two spiropyrazoline derivatives. The main focus of the research was to evaluate the antiproliferative potential of synthesized compounds towards eight cancer cell lines. Compound I demonstrated promising antiproliferative properties, especially toward the HL60 cell line, for which IC50 was equal to 9.4 μM/L....
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Kinetics of molecular decomposition under irradiation of gold nanoparticles with nanosecond laser pulses—A 5-Bromouracil case study
PublikacjaABSTRACT 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
PublikacjaThe 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
PublikacjaTitanium 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
PublikacjaThe 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
PublikacjaRational 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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The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublikacjaDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
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Effect of wet Hydrogen Sulfide on Carbon Steels Degradation in Refinery Based on Case Study
PublikacjaMaterial degradation caused by wet hydrogen sulfide (Wet H2S) is one of the major issues in refineries. Carbon steel is the main construction material used in refineries and is subjected not only to thickness loss but the hydrogen is the major concern. H2S leads to high atomic hydrogen penetration in steel which causes degradation in the form of blistering and/or cracking (HIC/SOHIC) and stress cracking in the area of welds and...
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Satellite Laser Ranging technique as a tool for the determination of the Schwarzschild, de Sitter and Lense-Thirring effects
PublikacjaSatellite Laser Ranging (SLR) is a modern technique used in various research areas and applications related to geodesy and geodynamics. It is commonly used for tasks such as establishing the International Terrestrial Reference Frame (ITRF), monitoring Earth Orientation Parameters (EOP), determining the geocenter, measuring fundamental physical constants, calibrating microwave tracking techniques, conducting time transfer experiments,...
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Reduction of CO2 Emissions from Offshore Combined Cycle Diesel Engine-Steam Turbine Power Plant Powered by Alternative Fuels
PublikacjaDiverse forms of environmental pollution arise with the introduction of materials or energy that exert adverse effects on human health, climate patterns, ecosystems, and beyond. Rigorous emission regulations for gases resulting from fuel combustion are being enforced by the European Union and the International Maritime Organization (IMO), directed at maritime sectors to mitigate emissions of SOx, NOx, and CO2. The IMO envisions...
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The impact of initial and boundary conditions on severe weather event simulations using a high-resolution WRF model. Case study of the derecho event in Poland on 11 August 2017
PublikacjaPrecise simulations of severe weather events are a challenge in the era of changing climate. By performing simulations correctly and accurately, these phenomena can be studied and better understood. In this paper, we have verified how different initial and boundary conditions affect the quality of simulations performed using the Weather Research and Forecasting Model (WRF). For our analysis, we chose...
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Numerical Study of the Impinging Jets Formed by an Injector with Different Nozzle Diameters
PublikacjaThe collision of two or more liquid jets may provide considerable atomisation and efficient mixing of injected substances at the same time. This phenomenon is used, among others, in rocket engines, where the fuel and oxidiser are introduced separately and almost immediately mixed through self-impingement. Depending on the injection and operating conditions, diverse configurations of impinging jets are used, such as doublets,...
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Effect of carbazole and pyrrolidine functionalization of phenanthroline ligand on ground- and excited-state properties of rhenium(I) complexes. Interplay between 3MLCT and 3IL/3ILCT
PublikacjaNew rhenium(I) tricarbonyl complexes based on the phenanthroline ligand were designed and synthesized to investigate the role of carbazole (cbz) and pyrrolidine (pyrr) substituents in determining thermal, electrochemical and optoelectronic properties. Both pyrr and cbz are electron-releasing substituents, but they differ in the steric hindrance and electron delocalization ability. The impact of pyrr and cbz on ground- and excited-state...
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Novel analysis methods of dynamic properties for vehicle pantographs
PublikacjaTransmission of electrical energy from a catenary system to traction units must be safe and reliable especially for high speed trains. Modern pantographs have to meet these requirements. Pantographs are subjected to several forces acting on their structural elements. These forces come from pantograph drive, inertia forces, aerodynamic effects, vibration of traction units etc. Modern approach to static and dynamic analysis should...
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Low to intermediate energy elastic electron scattering from dichloromethane (CH2Cl2)
PublikacjaWe report a theoretical-experimental investigation of electron scattering by dichloromethane (CH2Cl2) in the low- and intermediate energy ranges. Experimental elastic differential cross sections (DCS), in the incident electron energy range of 0.5-800 eV and scattering angle range of 10°–130°, were measured using a crossed beam relative flow technique. Integral and momentum- transfer cross sections were determined from the experimental...
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DYNAMIC ANALYSIS OF THE RAILWAY BRIDGES IN POLAND WITH REGARDS TO HIGH-SPEED TRAINS PASSAGE ADJUSTMENT
PublikacjaThe dynamic analysis of the railway bridge in Tczew was carried out in the article as an example of such bridges adaptation suitability to handle high-speed trains. Calculations of railway bridges are greatly complicated and labor-consuming. The bridge model and a rolling stock passage simulation were developed in the SOFISTIK software. Three types of elements were used for the correct mapping of the structure in the calculation...
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Amides as models to study the hydration of proteins and peptides — spectroscopic and theoretical approach on hydration in various temperatures
PublikacjaInteractions 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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A LUMPED-CIRCUIT MODEL OF CIRCULAR PISTON TRANSDUCER FOR MODELING ITS PERFORMANCE IN DUAL FREQUENCY OPERATING MODES
PublikacjaThe paper presents novel network equivalent circuit of piezoceramic circular disc transducer that takes into account thickness and ra dial mode of vibrations. The starting point of the analysis is 4-port description of circular disc element representing the solution of wave equation set in radial and thickness directions. Th e approximate solution for harmonic case is represented in the form of 4x4 matrix, which is syn thesized...
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Determination of rectification corrections for semi gantry crane rail axes in the local 3D coordinate system
PublikacjaElectronic tacheometers are currently the standard instruments used in geodetic work, including also geodetic engineering measurements. The main advantage connected with this equipment is among others high accuracy of the measurement and thus high accuracy of the final determinations represented for example by the points’ coordinates. One of many applications of the tacheometers is the measurement of crane rail axes. This measurement...
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublikacjaWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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Designing of Track Axis Alignment with the Use of Satellite Measurements and Particle Swarm Optimization
PublikacjaDesigning of the track’s alignment is a key issue from the point of view of maintaining of proper geometries. The paper presents a design method for sections of railway line located in the horizontal arch. The method is adapted to the technique of mobile satellite measurements. The general principles of this measurement method have been described in the article. A project's solution has been presented using mathematical notation...
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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...
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Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
PublikacjaAbstract A series of diaminium thiosulfates, derivatives of diamines: NH2CH2CH(CH3)NH2 (1) and NH2(CH2)nNH2, n = 3-6 (2-5 respectively)and thiosulfuric acid were prepared and their structures determined by crystal X-ray diffraction analysis. Compounds 1, 2 and 4 turned out to be hydrates. The crystal structure of 1,2-proylenediaminium thiosulfate is chiral and exhibits spontaneous resolution. Crystals for both enantiomers...
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PROBLEMS OF THE STARTING AND OPERATING OF HYDRAULIC COMPONENTS AND SYSTEMS IN LOW AMBIENT TEMPERATURE (PART IV) MODELLING THE HEATING PROCESS AND DETERMINING THE SERVICEABILITY OF HYDRAULIC COMPONENTS DURING THE STARTING-UP IN LOW AMBIENT TEMPERATURE
PublikacjaDesigners of hydraulically driven machines and devices are obliged to ensure during design process their high service life with taking into account their operational conditions. Some of the machines may be started in low ambient temperature and even in thermal shock conditions (due to delivering hot working medium to cold components). In order to put such devices into operation appropriate investigations, including experimental...