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Wyniki wyszukiwania dla: electron-potential scattering
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Quasidegeneracy of Zwitterionic and Canonical Tautomers of Arginine Solvated by an Excess Electron
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Coulomb-Assisted Dissociative Electron Attachment: Application to a Model Peptide
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An excess electron bound to urea. I. Canonical and zwitterionic tautomers
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Simulating Electron Transfer Attachment to a Positively Charged Model Peptide
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An excess electron bound to urea oligomers. II. Chains and ribbons
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Backbone and Side-Chain Cleavages in Electron Detachment Dissociation (EDD)
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Absolute total cross-section measurements for electron collision with tetrahydrofuran
PublikacjaZmierzono absolutny, całkowity przekrój czynny na rozpraszanie elektronów na drobinach tetrahydrofuranu (C4H8O) w zakresie energii zderzenia 1-370 eV. Otrzymane wyniki pozostają w dobrej zgodności z sumą obliczonych przekrojów elestycznych i jonizacyjnych. Przeprowadzono porównananie z innymi dostępnymi przekrojami czynnymi.
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Pressure dependence of electron-phonon coupling inCe3+-dopedGd3Sc2Al3O12garnet crystals
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Correlation and Entanglement in Elliptically Deformed Two-Electron Quantum Dots
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Cross sections for electron collision with five-membered ring heterocycles
PublikacjaCałkowity absolutny przekrój czynny (TCS) na rozpraszanie elektronów na cząsteczce izoksazolu (CH)3NO, został zmierzony przy wykorzystaniu liniowej techniki transmisyjnej dla energii zderzenia od 1 do 400 eV. Zależność energetyczna funkcji TCS jest typowa dla cząsteczek silnie polarnych; w całym zakresie badanych energii wartość TCS maleje wraz ze wzrostem energii zderzenia. Zaobserwowano wąskie struktury rezonansowe w okolicy...
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Reversible electron charge transfer in single-wall carbon nanotubes
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ThDione: A Powerful Electron‐Withdrawing Moiety for Push–Pull Molecules
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Vibrational excitation of tetrahydrofuran by electron impact in the low energy range
PublikacjaWzbudzenie oscylacyjne cząsteczki tetrahydrofuranu w zderzeniach z elektronami przeprowadzone było w zakresie energii 5-14 eV w szerokim kącie rozproszenia (20°-180°). Pomiary funkcji wzbudzenia oscylacyjnego modów rozciągających w grupie CH2 (wiązania C-H) wykazują obecność struktur dla energii 6.0, 7.9 i 10.3 eV, którym można przypisać formowanie się stanów rezonansowych jonów ujemnych cząsteczki. W pracy wyznaczono także różniczkowy...
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Fluorescence emission of carbon disulfide in low energy electron collision.
PublikacjaZbadano widma emisyjne dwusiarczku węgla w zakresie widmowym od 235 nm do575 nm wzbudzane zderzeniami elektronów o energii 9.7eV I 15eV. W otrzymanych widmach największe natężenie miały pasma pochodzące z dysocjacji cząsteczek dwusiarczku węgla.
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Potential of Silver Nanoparticles in Overcoming the Intrinsic Resistance of Pseudomonas aeruginosa to Secondary Metabolites from Carnivorous Plants
PublikacjaCarnivorous plants are exemplary natural sources of secondary metabolites with biological activity. However, the therapeutic antimicrobial potential of these compounds is limited due to intrinsic resistance of selected bacterial pathogens, among which Pseudomonas aeruginosa represents an extreme example. The objective of the study was to overcome the intrinsic resistance of P. aeruginosa by combining silver nanoparticles (AgNPs)...
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A method for optimizing potential-energy functions by a hierarchical design of the potential-energy landscape: Application to the UNRES force field
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Potential of Explainable Artificial Intelligence in Advancing Renewable Energy: Challenges and Prospects
PublikacjaModern machine learning (ML) techniques are making inroads in every aspect of renewable energy for optimizationand model prediction. The effective utilization of ML techniques for the development and scaling up of renewable energy systemsneeds a high degree of accountability. However, most of the ML approaches currently in use are termed black box since their work isdifficult to comprehend. Explainable artificial intelligence (XAI)...
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Scanning electron microscopy (SEM) images of boron-doped diamond thin films at poly(lactic acid)
Dane BadawczeThe dataset contains the photos obtained by scanning electron microscope(SEM), revealing the surface morphology and cross-section of boron-doped diamond electrodes on commercially available graphene-doped polylactide acid. The boron doping level expressed as the [B]/[C] ratio in the gas phase for these studies was 500 and 10,000 ppm. The top views of...
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Central-force decomposition of spline-based modified embedded atom method potential
PublikacjaCentral-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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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublikacjaThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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The biological role of prolyl oligopeptidase and the procognitive potential of its peptidic inhibitors from food proteins
PublikacjaProlyl 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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Antibacterial polyurethanes, modifed with cinnamaldehyde, as potential materials for fabrication of wound dressings
PublikacjaThe epidermis is a skin layer, which protects an organism from the different factors of external environment. Therefore, the fast and effective regeneration of epidermis is important. Potential materials used for epidermis regeneration may be polyurethane scaffolds in form of the thin permeable layers. One and main disadvantage of such polyurethane scaffolds are their lack of antibacterial and antifungal properties. The great proposition...
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Synthesis and Biological Evaluation of Acridine/Acridone Analogs as Potential Anticancer Agents
PublikacjaAcridine 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
PublikacjaIn 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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Wastes from Agricultural Silage Film Recycling Line as a Potential Polymer Materials
PublikacjaThe 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
PublikacjaThis 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
PublikacjaThe 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
PublikacjaDuring 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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More than just a beer—the potential applications of by-products from beer manufacturing in polymer technology
PublikacjaBeer 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
PublikacjaIn 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
PublikacjaCoffee 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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Characterization of Corrosion-Induced Fracture in Reinforced Concrete Beams Using Electrical Potential, Ultrasound and Low-Frequency Vibration
PublikacjaThe paper deals with the non-destructive experimental testing of the reinforced concrete beams under progressive corrosion. A series of experiments using electrical potential, ultrasound and low-frequency vibrations techniques are reported. Electrical potential and natural frequencies were used to characterise and monitor the corrosion process at its initial state. The P-wave velocity measurements were proved to be effective in...
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mTOR Signaling and Potential Therapeutic Targeting in Meningioma
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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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Potential Methods of Electrochromic Materials Quality Assessment
PublikacjaPublikacja 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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In vitro screening of 65 mycotoxins for insecticidal potential
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Phonon mode potential and its contribution to anharmonism
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The potential anti-tumor activity of neoteric solvents
PublikacjaCiecze 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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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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Potential applicability of ontologies for the evaluation of information technology
PublikacjaIn 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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Adiabatic potential energy surfaces of the vinoxy radical
PublikacjaZostały obliczone powierzchnie energetyczne stanu podstawowego i dwóch najniższych stanów wzbudzonych.
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The potential and actual biomass resources in authority of Wejherowo
PublikacjaPrzedstawiono 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)
PublikacjaPotencjalna 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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Investigation of the antimicrobial potential and microbiota of bee pollen and bee bread derived from Polish apiaries
PublikacjaThe phenomenon of resistance of microorganisms to antibiotics is becoming one of the greatest challenges of modern medicine. At the same time, the number of new antibiotics introduced into clinical practice is decreasing. This creates the need to search for new, effective, non-antibiotic methods of combating and preventing infectious diseases. Over the last two decades, there has been renewed interest in the antimicrobial potential...
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Analysis of scattering from arbitrary configuration of elliptical obstacles using T-matrix representation
PublikacjaW artykule przedstawiono nową metodę analizy zjawiska rozpraszania dla dowolnej konfiguracji obiektów eliptycznych. Przedstawione podejście, dotyczącego pojedynczego obiektu, oparte jest na połączeniu analizy w układzie eliptycznym i cylindrycznym. W analizie wielu obiektów wykorzystana została procedura iteracyjna. Uzyskane wyniki zostały zweryfikowane przy wykorzystaniu oprogramowania komercyjnego.
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Periodicity Matters: Grating or lattice resonances in the scattering by sparse arrays of subwavelength strips and wires.
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Comparison of resonance optical scattering of plane waves by infinite gratings of silver cylinders and strips
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