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Search results for: potential energy surfaces
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Comparison of Average Energy Slope Estimation Formulas for One-dimensional Steady Gradually Varied Flow
PublicationTo find the steady flow water surface profile, it is possible to use Bernoulli’s equation, which is a discrete form of the differential energy equation. Such an approach requires the average energy slope between cross-sections to be estimated. In the literature, many methods are proposed for estimating the average energy slope in this case, such as the arithmetic mean, resulting in the standard step method, the harmonic mean and...
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A Model of Thermal Energy Storage According to the Convention of Bond Graphs (BG) and State Equations (SE)
PublicationThe main advantage of the use of the Bond Graphs method and State Equations for modeling energy systems with a complex structure (marine power plants, hybrid vehicles, etc.) is the ability to model the system components of different physical nature using identical theoretical basis. The paper presents a method of modeling thermal energy storage, which is in line with basic BG theory. Critical comments have been put forward concerning...
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Molecular modeling and evaluation of novel dibenzopyrrole derivatives as telomerase inhibitors and potential drug for cancer therapy
PublicationDuring previous years, many studies on synthesis, as well as on anti-tumor, anti-inflammatory and anti-bacterial activities of the pyrazole derivatives have been described. Certain pyrazole derivatives exhibit important pharmacological activities and have proved to be useful template in drug research. Considering importance of pyrazole template, in current work the series of novel inhibitors were designed by replacing central...
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Olfactory receptor-based biosensors as potential future tools in medical diagnosis
PublicationThe detection of biomarkers is the future of non-invasive medical diagnosis and screening. Discovery and identification of reliable disease specific volatile organic compounds is dependent on repeatable, accurate analysis of trace level gaseous analytes mainly in breath samples. Natural variety of the olfactory systems and the compounds capable of gas molecules binding creates wide possibilities of acquisition and implementation...
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PHYSICAL MODEL OF ENERGY-RELATED PROCESSES IN A ROTATING MECHANICAL SYSTEM FOR THE PURPOSES OF DIAGNOSIS OF TRANSMISSION SHAFTS
PublicationIn the present article, selected problems connected with identification of slowly changing energy-related processes accompanying high cyclic fatigue of construction materials of simple mechanical systems, with special consideration of transmission shafts, are mentioned for diagnostic purposes. The article also presents physical models of object and processes that in a simplified way reflect mechanical energy transmission from transmission...
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Low energy differential elastic electron scattering from acetonitrile (CH3CN)
PublicationMeasurements of elastic differential cross sections for electron scattering from acetonitrile (CH3CN) have been performed utilizing a crossed electron-molecular beam experiment and with the relative flow method, for the incident electron energy range of 0.7 eV–30 eV and the scattering angle range of 10◦–130◦. These differential cross sections have been used to calculate the elastic integral and momentum- transfer cross sections,...
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Interaction of low energy electrons with formic acid monomer, dimer and trimer
PublicationConfigurations of the formic acid monomer, dimer and trimer are presented. We have calculated the total energies for these structures. We have considered also the negatively charged clusters and discussed the possible pathways of interaction of low energy electrons with monomers and clusters. Calculations have been executed using 6-311G** and 6-311++G** basis sets. The electron affinities of monomer and clusters are presented....
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More than just a beer—the potential applications of by-products from beer manufacturing in polymer technology
PublicationBeer is the most popular alcoholic beverage in the world, and its popularity is continuously growing. Currently, global beer production is estimated at around 2 billion hectoliters. Nevertheless, the increasing production capacity implicates the rising issue of generated by-products—brewers’ spent grain, spent hops, spent yeast, and wastewater. They are generated in massive amounts, so having in mind the current pro-ecological...
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The estimation of cutting forces and specific force coefficients during finishing ball end milling of inclined surfaces
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Design of novel highly sensitive sensors for crack detection in metal surfaces: theoretical foundation and experimental validation
PublicationThe application of different types of microwave resonators for sensing cracks in metallic structures has been subject of many studies. While most studies have been focused on improving the sensitivity of planar crack sensors, the theoretical foundation of the topic has not been treated in much detail. The major objective of this study is to perform an exhaustive study of the principles and theoretical foundations for crack sensing...
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Effects of electrophoretic deposition times and nanotubular oxide surfaces on properties of the nanohydroxyapatite/nanocopper coating on the Ti13Zr13Nb alloy
PublicationLoad-bearing implants are developed with a particular emphasis placed on an application of ceramic hydroxyapatite coatings in order, to enhance the bioactivity of titanium implants and to shorten the healing time. Therefore, thin, fully crystalline coatings that are, highly adhesive, hydrophilic and demonstrating antibacterial properties are ly looked for. The aim of this research was to develop and characterize the properties...
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Topography measurement methods evaluation for entire bending-fatigued fracture surfaces of specimens obtained by explosive welding
PublicationIn this paper, the methods of compensation of differences in the results of entire bending-fatigued fracture surface topographies were presented. The roughness evaluation was performed with a focus variation microscope and confocal surface topography measurement techniques. The differences in the ISO 25178 roughness parameters were investigated and procedures for their compensation were studied. It was found that various types...
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Hybrid energy storage forelectric multiple units to operate at the partially electrified line Gdynia -Hel
PublicationThe article presents calculations enabling the selection of an on-board energy storage device to replace diesel-powered trains with modern storage multiple units on the example railway line Gdynia Główna -Hel. The pioneering and currently used storage electric multiple units, mainly in Europe, were presented. The condensed results of the inventory of the line in question, including the technical condition...
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The Possibility to use a Nuclear Power Plant as a Source of Electrical Energy and Heat
PublicationIn this article issues concernig the possibility of nuclear power plant (NPP) operation also as a source of heat, which means combined heat and power production, have been described. CHP work is possible and profitable only in those areas where high thermal power demand occurs, which means near city agglomerations such as Warsaw or the Tri-City. Two levels of thermal power delivered to the heating system have been considered. Preliminary...
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Grid-Forming Operation of Energy-Router Based on Model Predictive Control with Improved Dynamic Performance
PublicationThe focus of this study is on the grid-forming operation of the Energy Router (ER) based on Model Predictive Control (MPC). ER is regarded as a key component of microgrids. It is a converter that interfaces the microgrid (s) with the utility grid. The ER has a multiport structure and bidirectional energy flow control. The ER concept can be implemented in Nearly Zero-Energy Buildings (NZEB) to provide flexible energy control. A...
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The potential of enhancing denitrification in the activated sludge process with by-products from the alcohol production
PublicationIn this study, by-products from the alcohol production were examined in terms of their potential application as external carbon sources for enhancing denitrification in biological nutrient removal systems. Three kinds of experimental assays were used to compare the effects of the by-products with other external carbon sources (ethanol and acetic acid) and the settled wastewater. Based on the results obtained, it appears that one...
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Interaction of cisplatin and two potential antitumoral platinum(ii) complexes with a model lipid membrane: a combined NMR and MD study
PublicationIn this study, the interaction of cisplatin (1) and two potential antitumoral Pt(II) complexes (2 and 3) with a model DMPC bilayer was investigated by multinuclear NMR spectroscopy and MD simulations in order to understand its implication for the different antitumoral properties shown by the three complexes. In particular, 31P, 13C and 2H solid state NMR experiments were performed to obtain information on the phase structure, phase...
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Superconductivity of Ta-Hf and Ta-Zr alloys: Potential alloys for use in superconducting devices
PublicationThe electronic properties relevant to superconductivity are reported for bulk Ta-Hf and Ta-Zr body centered cubic alloys, in a large part to determine whether their properties are suitable for potential use in superconducting qbits. The body centered cubic unit cell sizes increase with increasing alloying. The results of magnetic susceptibility, electrical resistivity, and heat capacity characterization are reported. While elemental...
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In vitro screening of 65 mycotoxins for insecticidal potential
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The potential anti-tumor activity of neoteric solvents
PublicationCiecze jonowe stały się obiektem zainteresowania naukowców. Znajdują one coraz to szersze zastosowanie. Dlatego też ważne jest określenie ich właściwości Eko-toksycznych. Aktywność anty-nowotworowa i cytotoksyczna cieczy jonowych stała się zatem ważnym aspektem badań. Artykuł podsumowuje najnowsze wyniki badań nad cytotoksycznością tych rozpuszczalników
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mTOR Signaling and Potential Therapeutic Targeting in Meningioma
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Phonon mode potential and its contribution to anharmonism
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Potential applicability of ontologies for the evaluation of information technology
PublicationIn this article we present the possibilities of using ontologies as a part of a multi-agent system (MAS) designed for the evaluation of information technologies. This is a part of a broader idea devel-oped by the team of researchers at Gdańsk University of Technology. The article deals with defining ontologies, presenting main technologies for their design and implementation and proposes, initially, domains of the ontologies' interest...
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Potential Methods of Electrochromic Materials Quality Assessment
PublicationPublikacja zawiera potencjalne metody oceny jakości prototypowych maateriałów wykonanych z warstw elektrochromowych. Warstwy te mogą zostać ocenione za pomocą anlizy sygnałów elektrycznych jak również metodami przetwarzania obrazów.
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Automatic cuts for magnetic scalar potential formulations
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Symmetrical women have higher potential fertility
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Comparision of Methods for Determination of Potential Evapotransportation (PET)
PublicationPotencjalna ewapotranspiracja (PET) jest traktowana jako indeks maksymalnej, możliwej ewapotranspiracji i jest wielkością często używaną w modelach hydrologicznych. W pracy porównano 4 modele obliczania PET: Konstantinowa, Turca, Thorntkwaita i Penmana. Są to metody o różnym stopniu dokładności. Przykładowe obliczenia przeprowadzono dla pomiarów ze stacji Bielnik, leżącej w pobliżu Gdańska.
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The potential and actual biomass resources in authority of Wejherowo
PublicationPrzedstawiono charakterystykę biomasy pod kątem jej potencjalnego energetycznego wykorzystania jako proekologiczne źródło energii odnawialnej. Rozważania przeprowadzono na konkretnym przykładzie, typowego dla Polski Północnej powiatu Wejherowskiego. Analizę danych, uzyskane wyniki i wnioski końcowe można z powodzeniem odnieść i wykorzystać do rozwiązania problemów energetycznych w dowolnym rolniczym powiecie, gminie lub małym mieście.
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Reducing Air Pollutant Emissions from the Residential Sector by Switching to Alternative Energy Sources in Single-Family Homes
PublicationThe paper discusses a scenario for adapting residential buildings to the requirements of the EU climate and energy package. It analyzes the option of reducing pollutant emissions to ambient air by switching to alternative energy sources in a typical single-family residential building. The most common sources of energy in central heating and ventilation systems and water heating systems were compared, and the analyzed energy carriers...
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The Dilemmas of Choosing a Suitable Technology for Low Energy and Passive Houses in the Context of their Overheating Issues
PublicationIn compliance with European Union directives, numerous countries are introducing increasingly stricter legal limits on the estimated energy consumption of newly designed residential buildings. However, the fact, that regulations and designers' efforts are focused on decreasing energy consumption (and consequently carbon dioxide emissions) only at the post-occupancy stage, may lead to a significant increase in the carbon footprint...