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Search results for: effective core potential
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Admission control method based on effective delay for flows using EF PHB.
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Central-force decomposition of spline-based modified embedded atom method potential
PublicationCentral-force decompositions are fundamental to the calculation of stress fields in atomic systems by means of Hardy stress. We derive expressions for a central-force decomposition of the spline-based modified embedded atom method (s-MEAM) potential. The expressions are subsequently simplified to a form that can be readily used in molecular-dynamics simulations, enabling the calculation of the spatial distribution of stress in...
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Selected aspects of traction transformer diagnosis based on analysis of power looses in windings and the iron core
PublicationW rozdziale przedstawiono metodę diagnostyki detekcji uszkodzeń wewnętrznych uzwojeń transformatora trakcyjnego oparta na analizie strat mocy rozpraszanej wewnątrz transformatora. Straty mocy są powiekszane o szereg czynników świadczacych o uszkodzeniu transformatora takich jak: zwarcia zwojowe, asymetria uzwojeń, relaksacja naprężeń na stykach połaczeń, uszkodzenie izolacji pomiedzy blachami rdzenia itp. Proponowana metoda dokonuje...
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Numerical evaluation of spatial time-varying magnetisation of ferritic tubes excited with a C-core magnet
PublicationPrzedstawiono uzyskane metodą elementów skończonych numeryczne oszacowanie czasowo-przestrzennego rozkładu magnetyzacji w ferrytycznych rurach magnesowanych elektromagnesem typu C. Wzięto pod uwagę nieliniowe własności magnetyczne oraz występowanie prądów wirowych. Prąd magnesujący miał charakter piłokształtny.
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One-pot self-assembly of three-dimensional graphene macroassemblies with porous core and layered shell
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Synthesis, characterization, and photocatalytic properties of core/shell mesoporous silica nanospheres supporting nanocrystalline titania
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Structural, spectroscopic, and computational characterization of the cleavage product of dimolybdenum(II) core under aerobic conditions
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Dielectric and electro-optic studies of a bimesogenic liquid crystal composed of bent-core and calamitic units
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Distortions in structures of the twist bend nematic phase of a bent-core liquid crystal by the electric field
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Core/Shell Structure of Mesoporous Carbon Spheres and g-C3N4 for Acid Red 18 Decolorization
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Broadband emission at NIR in double-core optical fiber co-doped with Nd3+/Yb3+ions
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Annealing Rate as a Crucial Parameter Controlling the Photoelectrochemical Properties of AuCu Mosaic Core–Shell Nanoparticles
PublicationThermal processing is an essential step during the synthesis of various metal nanostructures and for tailoring their morphology, optical, and electrochemical properties. Herein, a profound impact of the annealing rate and time on photoactivity of gold–copper nanostructures by changes in the position and alignment of energy levels and surface states is reported. AuCu nanoparticles (NPs) are fabricated by sputtering of thin metal...
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What matters most to patients? On the Core Determinants of Patient Experience from Free Text Feedback
PublicationFree-text feedback from patients is increasingly used for improving the quality of healthcare services and systems. A major reason for the growing interest in harnessing free-text feedback is the belief that it provides richer information about what patients want and care about. The use of computational approaches such as structural topic modelling for analysing large unstructured textual data such as free-text feedback from patients...
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Evaluation of time and space distribution of magnetic flux density in a steel plate magnetized by a C-core
PublicationBadano wpływ częstości magnesowania płyty stalowej na rozkład przestrzenny indukcji magnetycznej wewnątrz tej płyty. Rozkład ten oceniano na podstawie pomiaru natężenia emisji magnetoakustycznej a także rozkładu na powierzchni płyty natężenia efektu Barkhausena. Wyniki dyskutowane są ilościowo i porównane z wynikami modelowania metodą elementów skończonych, w której uwzględniono efekt powstawania prądów wirowych.
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The biological role of prolyl oligopeptidase and the procognitive potential of its peptidic inhibitors from food proteins
PublicationProlyl oligopeptidase (POP) is a conserved serine protease belonging to proline-specific peptidases. It has both enzymatic and non-enzymatic activity and is involved in numerous biological processes in the human body, playing a role in e.g., cellular growth and differentiation, inflammation, as well as the development of some neurodegenerative and neuropsychiatric disorders. This article describes the physiological and pathological...
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Synthesis and Biological Evaluation of Acridine/Acridone Analogs as Potential Anticancer Agents
PublicationAcridine and acridone analogues were prepared by Ullmann condensation and then cyclization reaction. As a result of nucleophilic substitution reaction 1-nitro-9-phenoxyacridine or 1-chloro-4-nitro-9(10H)-acridone with the corresponding peptides, the planned acridine derivatives (10a-c, 12, 17-a-d, 19) have been obtained. The cytotoxic activity of the newly obtained analogs were evaluated against melanotic (Ma) and amelanotic (Ab)...
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Recurrent potential pulse technique for improvement of glucose sensing ability of 3D polypyrrole
PublicationIn this work, a new approach for using a 3D polypyrrole (PPy) conducting polymer as a sensing material for glucose detection is proposed. Polypyrrole is electrochemically polymerized on a platinum screen-printed electrode in an aqueous solution of lithium perchlorate and pyrrole. PPy exhibits a high electroactive surface area and high electrochemical stability, which results in it having excellent electrocatalytic properties. The...
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Rheological properties, oxidative and thermal stability, and potential application of biopolyols prepared via two-step process from crude glycerol
PublicationIn this work, previously synthesized biopolyols were analyzed in terms of their rheological and thermal properties, very important from the technological point of view. For better evaluation of performed synthesis, the influence of its time and temperature on the properties of biopolyols was determined. In the end, obtained materials were used to prepare rigid polyurethane-polyisocyanurate (PUR-PIR) foams, to evaluate their potential...
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublicationThe 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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Wastes from Agricultural Silage Film Recycling Line as a Potential Polymer Materials
PublicationThe recycling of plastics is currently one of the most significant industrial challenges. Due to the enormous amounts of plastic wastes generated by various industry branches, it is essential to look for potential methods for their utilization. In the presented work, we investigated the recycling potential of wastes originated from the agricultural films recycling line. Their structure and properties were analyzed, and they were...
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INDUSTRIAL HERITAGE IN “SACRIFICE ZONES”. THE POTENTIAL OF BOCAMINA I & II THERMOELECTRIC IN CORONEL, CHILE
PublicationThis work aims to present the recovery potential of the Chilean Sacrifice Zones, urban areas affected by high amounts of pollution caused by industrial activities. It centers in the case of “Bocamina I & II”, two Thermoelectric based in the city of Coronel, southern Chile. A settlement historically related to the mining processes. These plants operated for decades supplying the national energy grid and are seen as both symbols...
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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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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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Comparative Analysis of Laboratory-Made and Industrial-Made Sewage Sludge Ash: Implications for Effective Management Strategy Development
Publicationfirst_pageDownload PDFsettingsOrder Article Reprints Open AccessArticle Comparative Analysis of Laboratory-Made and Industrial-Made Sewage Sludge Ash: Implications for Effective Management Strategy Development by Bartłomiej Michał Cieślik 1,*ORCID,Oskar Ronda 1ORCID,Elżbieta Grządka 2ORCID,Jolanta Orzeł 2 andJustyna Płotka-Wasylka 1 1 Department of Analytical Chemistry, Faculty of Chemistry, Gdańsk University of Technology, Gabriela...
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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 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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Coffee silverskin as a potential bio-based antioxidant for polymer materials: Brief review
PublicationCoffee silverskin is one of the by-products generated by the coffee industry. Although it is not the most burdensome one, because it stands only for ~4.2 wt % of coffee, it seems like an auspicious raw material for industrial processes. Coffee silverskin is characterized by a relatively low moisture content of ~5–7%, so it often does not require quite energy-consuming drying processes. The chemical composition of coffee silverskin,...
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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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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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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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In vitro screening of 65 mycotoxins for insecticidal potential
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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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Phonon mode potential and its contribution to anharmonism
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mTOR Signaling and Potential Therapeutic Targeting in Meningioma
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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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Sanguiins—Promising Molecules with Broad Biological Potential
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Antioxidants as a Potential Preventive and Therapeutic Strategy for Cadmium
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Antithrombotic Potential of Tormentil Extract in Animal Models
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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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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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Adiabatic potential energy surfaces of the vinoxy radical
PublicationZostały obliczone powierzchnie energetyczne stanu podstawowego i dwóch najniższych stanów wzbudzonych.
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Pile Model Tests Using Strain Gauge Technology
PublicationOrdinary pile bearing capacity tests are usually carried out to determine the relationship between load and displacement of pile head. The measurement system required in such tests consists of force transducer and three or four displacement gauges. The whole system is installed at the pile head above the ground level. This approach, however, does not give us complete information about the pile-soil interaction. We can only determine...
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Cobalt(II) and Cobalt(III) Tri‐tert‐butoxysilanethiolates. Synthesis, Properties, Crystal and Molecular Structures of [Co{μ‐SSi(OBut)3}{SSi(OBut)3}(NH3)]2 and [Co{SSi(OBut)3}2(NH3)4][SSi(OBut)3] Complexes
PublicationThe heteroleptic neutral tri‐tert‐butoxysilanethiolate of cobalt(II) incorporating ammonia as additional ligand (1) has been prepared by the reaction of a cobalt(II) ammine complex with tri‐tert‐butoxysilanethiol in water. Complex 1, dissolved in hexane, undergoes oxidation in an ammonia saturated atmosphere to the ionic cobalt(III) compound 2. Molecular and...
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Influence of laser melting on surface layer properties of titanium alloy Ti6Al4V
PublicationIn time of rapid technology and medicine progress, implants are becoming more widely used in the human body, ranging from dental implants, stabilizing plates, screws, orthopaedic prostheses. For example, there are many types of hip prostheses used for hip replacement as well as various types of materials used for these orthopaedic prostheses. Properties of titanium alloys used in hip prostheses combined with good strength properties,...
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Assembly of Lipopolysaccharide in Escherichia coli Requires the Essential LapB Heat Shock Protein
PublicationHere, we describe two new heat shock proteins involved in the assembly of LPS in Escherichia coli, LapA and LapB (lipopolysaccharide assembly protein A and B). lapB mutants were identified based on an increased envelope stress response. Envelope stress responsive pathways control key steps in LPS biogenesis and respond to defects in the LPS assembly. Accordingly, the LPS content in ΔlapB or Δ(lapA lapB) mutants was elevated, with...
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The ONETEP linear-scaling density functional theory program
PublicationWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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On Decision-Making Strategies for Improved-Reliability Size Reduction of Microwave Passives: Intermittent Correction of Equality Constraints and Adaptive Handling of Inequality Constraints
PublicationDesign optimization of passive microwave components is an intricate process, especially if the primary objective is a reduction of the physical size of the structure. The latter has become an important design consideration for a growing number of modern applications (mobile communications, wearable/implantable devices, internet of things), where miniaturization is imperative due to a limited space allocated for the electronic circuitry....
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Multiple transcriptional factors regulate transcription of the rpoE gene in Escherichia coli under different growth conditions and when the lipopolysaccharide biosynthesis is defective.
PublicationThe RpoE sigma factor is essential for the viability of Escherichia coli. RpoE regulates extracytoplasmic functions including lipopolysaccharide (LPS) translocation and some of its non-stoichiometric modifications. Transcription of the rpoE gene is positively autoregulated by EσE and by unknown mechanisms that control the expression of its distally located promoter(s). Mapping of 5′ ends of rpoE mRNA identified five new transcriptional...
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A systematic retrieval of international competitiveness literature: a bibliometric study
PublicationOver the last three decades there has been growing interest in international competitiveness research. However, as evidenced by the academic literature, there is a lack of systematic chronological studies synthesizing how this field has evolved over time. The main aim of this paper is to consolidate the state of the art of academic research on international competitiveness in the discipline of economics by using a new method: a...