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Wyniki wyszukiwania dla: electron-potential scattering
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Effect of electron count and chemical complexity in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor
PublikacjaHigh-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered body-centered cubic (BCC) Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor appears to display properties of both simple crystalline intermetallics and amorphous materials; e.g., it has a well-defined superconducting transition along with an exceptional robustness against disorder....
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Nuclear magnetic shielding constants of Dirac one-electron atoms in some low-lying discrete energy eigenstates
PublikacjaWe present tabulated data for the nuclear magnetic shielding constants (σ) of the Dirac one-electron atoms with a pointlike, motionless and spinless nucleus of charge Ze. Utilizing the exact general analytical formula for σ derived by us (Stefańska, 2016) valid for an arbitrary discrete energy eigenstate, we have computed the numerical values of the magnetic shielding factors for the ground state and for the first and the second...
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Nutritional and Health Potential of Probiotics: A Review
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Antiglioma Potential of Coumarins Combined with Sorafenib
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Potential allosteric modulators of the proteasome activity
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Therapeutic potential of adenosine analogues and conjugates
PublikacjaZaprezentowano przegląd literatury chemicznej na temat analogów i koniugatów adenozyny oraz ich potencjalne zastosowanie terapeutyczne. Zwrócono także uwagę na ich oddziaływanie z receptorami adenozyny.
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Zapotin, a Polymethoxyflavone, with Potential Therapeutic Attributes
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Cuticular lipids of insects as potential biofungicides
PublikacjaThe term ''lipids'' refers to fatty acids, their derivatives and substances related with them biochemically or by the functions in the body. Lipids include compounds with different chemical structure. There are lipids with structures based on long-chain carboxylic acids and their direct derivatives, namely: fatty acids, alkanes, some alkenes, aldehydes and long chain alcohols and their derivatives (esters). The variety of lipid...
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Employee Well-Being and its Potential Link With Human Knowledge Risks
PublikacjaEmployee well-being is an essential component of any organisation organisation. Conscious companies make every effort to create a healthy work environment. The well-being of employees and their overall emotional, physical and economic health is affected by various internal and external factors. When employees feel well, they tend to perform better. Therefore, the impact of employee well-being on the organisation is a fact and has...
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
PublikacjaAb initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom interacting with the LiCs molecule were calculated for these states. The lithium atom is placed at various distances and bond angles from the lithium-caesium dimer. Three-body nonadditive forces...
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Cold-Active beta-Galactosidases: Sources, Biochemical Properties and Their Biotechnological Potential
Publikacjabeta-D-Galactosidases have been studied extensively in terms of their application to a variety of industrial technologies. To date, considerable research efforts have been devoted to characterization of new cold-active beta-D-galactosidases which were isolated directly from selected species of bacteria and yeasts, as well as with the use of metagenomic approaches. This chapter will provide a review of current research towards cold-active...
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Microstructure–Property Relationship of Polyurethane Foams Modified with Baltic Sea Biomass: Microcomputed Tomography vs. Scanning Electron Microscopy
PublikacjaIn this paper, novel rigid polyurethane foams modified with Baltic Sea biomass were compared with traditional petro-based polyurethane foam as reference sample. A special attention was focused on complex studies of microstructure, which was visualized and measured in 3D with high-resolution microcomputed tomography (microCT) and, as commonly applied for this purpose, scanning electron microscopy (SEM). The impact of pore volume,...
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Carbon dioxide potential reduction using Start-Stop system in a car
PublikacjaOperating fuel consumption increases significantly when the vehicle stops frequently while driving or when the engine is idling during braking. In such cases, the internal combustion engine consumes the fuel but the mechanical energy is not used by the drive system. The amount of fuel that is consumed in this time by the engine can potentially be saved if the car is equipped with a Stop-Start system. Start-Stop system automatically...
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A new hybrid method for analysis of scattering from arbitrary configuration of cylindrical objects
PublikacjaArtykuł opisuje nową hybrydową metodę analizy rozpraszania fali elektromagnetycznej od obiektów cylindrycznych o dowolnym przekroju poprzecznym. W prezentowanym podejściu każdy obiekt jest traktowany jako efektywny cylinder o przekroju kołowym, opisany przez macierz impedancyjną. W celu uzyskania owej macierzy zastosowano połączenie metod różnic skończonych w dziedzinie częstotliwości (FDFD) i dopasowania rodzajów (MM). W celu...
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Annihilation rates of low-energy positron scattering from simple diatomic molecules
PublikacjaWe discuss the calculations of Zeff coefficients for a series of diatomic molecules over the range of energies below the positronium formation. During the development of a general code for polyatomic, nonlinear molecules colliding with positrons, it was discovered that the earlier one, employed only for diatomic molecules, had an error. The error is corrected and the corrected results are presented here. We also discuss a way of...
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Hybrid technique for the analysis of scattering from periodic structures composed of irregular objects
PublikacjaW pracy zaproponowano nową metodę hybrydową do badania zjawiska rozpraszania fali elektromagnetycznej na strukturach periodycznych złożonych z obiektów rozpraszających o nieregularnym kształcie. Zaprezentowana metoda została wykorzystana do badania własności nowych struktur falowych. Uzyskane wyniki numeryczne zostały zweryfikowane eksperymentalnie.
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Relativistic multiconfiguration method in low-energy scattering of electrons from argon atoms
PublikacjaPo raz pierwszy zaprezentowano wyniki obliczeń różniczkowych przekrojów czynnych relatywistyczną wersją metody wielokonfiguracyjnej.
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Scattering in a section of ferrite coupled microstrip lines: theory and application in nonreciprocal devices
PublikacjaPrzeprowadzono analizę pełnofalową sekcji sprzężonych ferrytowych linii mikropaskowych wykorzystującą w rozwinięciu pola em fale prowadzone w izotropowych złączach wejściowych sekcji oraz jej fajl ferrytowych. W wyniku określono macierz S sekcji. Przeprowadzono modelowanie własności rozproszenia układu oraz symulację parametrów transmisyjnych układów niewzajemnych projektowanych z wykorzystaniem proponowanego układu ferrytowego.
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Relativistic multiconfiguration method in low energy scattering of electrons from xenon atoms.
PublikacjaPo raz pierwszy dokonano obliczeń różniczkowych przekrojów czynnych na sprężyste rozpraszanie elektronów na atomach ksenonu przy użyciu relatywistycznej wersji metody wielokonfiguracyjnej.
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Noninvasive glucose sensing in scattering media using OCT, PAS, and TOF techniques.
PublikacjaW pracy przedstawiono możliwości wykorzystania optycznej tomografii koherencyjnej (OCT), spektroskopii fotoakustycznej (PAS)i spektroskopii czasu przelotu (TOF) w pomiarach glukozy w ośrodku silnie rozpraszającym. Równolegle opracowano modele propagacji światła w tych ośrodkach wykorzystując metodę Monte Carlo. W pomiarach wykorzystano ''Intralipid'' jako fantom tkanki. W dalszych badaniach wykorzystano mięso wieprzowe i dokonano...
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Comparison of Absorbed and Intercepted Fractions of PAR for Individual Trees Based on Radiative Transfer Model Simulations
PublikacjaThe fraction of absorbed photosynthetically active radiation (fAPAR) is a key parameter for estimating the gross primary production (GPP) of trees. For continuous, dense forest canopies, fAPAR, is often equated with the intercepted fraction, fIPAR. This assumption is not valid for individual trees in urban environments or parkland settings where the canopy is sparse and there are well-defined tree crown boundaries. Here, the distinction...
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Sensors for Rapid Detection of Environmental Toxicity in Blood of Poisoned People
PublikacjaRecently, the diagnosis and treatment of poisoned person can be done only in specialized centers. Furthermore, currently used clinical methods of intoxication diagnosis are not sufficient for early detection. Conventional laboratory tests based on urine and blood require professional, high skilled staff, high cost equipment as well as they are arduous and lasting analytical procedures. There is a need to elaborate relatively cheap...
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Modified Peptide Molecules As Potential Modulators of Shelterin Protein Functions; TRF1
PublikacjaIn this work, we present studies on relatively new and still not well-explored potential anticancer targets which are shelterin proteins, in particular the TRF1 protein can be blocked by in silico designed "peptidomimetic" molecules. TRF1 interacts directly with the TIN2 protein, and this protein-protein interaction is crucial for the proper functioning of telomere, which could be blocked by our novel modified peptide molecules....
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Hydroperoxyl radical and formic acid formation from common DNA stabilizers upon low energy electron attachment
Publikacja2-Amino-2-(hydroxymethyl)-1,3-propanediol (TRIS) and ethylenediaminetetraacetic acid (EDTA) are key components of biological buffers and are frequently used as DNA stabilizers in irradiation studies. Such surface or liquid phase studies are done with the aim to understand the fundamental mechanisms of DNA radiation damage and to improve cancer radiotherapy. When ionizing radiation is used, abundant secondary electrons are formed...
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The assessment of solar photovoltaic in Poland: the photovoltaics potential, perspectives and development
PublikacjaThe following article explains the current condition of the photovoltaics sector both in Poland and worldwide. Recently, a rapid development of solar energy has been observed in Poland and is estimated that the country now has about 700,000 photovoltaics prosumers. In October 2021, the total photovoltaics power in Poland amounted to nearly 5.7 GW. The calculated technical potential of photovoltaics in Poland is 153.484 PJ (42.634...
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Correlation and Entanglement in Elliptically Deformed Two-Electron Quantum Dots
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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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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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Pressure dependence of electron-phonon coupling inCe3+-dopedGd3Sc2Al3O12garnet crystals
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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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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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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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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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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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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...