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Search results for: EMPIRICAL POTENTIALS
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Empirical Methods in Natural Language Processing
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International Symposium on Empirical Software Engineering
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Potential energy curve, rovibrational energies and nuclear wave functions of 2 singlet Pi state in KLi dimer
Open Research DataThis data sets contains potential energy curve, energy levels and nuclear wave functions of rovibrational states of KLi dimer in 2 singlet Pi electronic state. Potential energy curve (PEC) for the electronic state was calculated in the Born-Oppenheimer approximation by the means of effective core potentials and MRCI method. Nuclear wave functions and...
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Does China use its trade potential in the Belt and Road Initiative properly? The relations between Chinese value added and trade potential in the European countries: bottom-up analysis
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Potentilla erecta extract inhibits arterial thrombosis in rat
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In vitro anticariogenic effects of polyphenolics from Potentilla recta
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Towards a universal embedded-atom method: empirically adjusted and consistent set of atomic densities for all elements of the periodic table
PublicationModel atomu HFS został zmodyfikowany poprzez wyznaczenie indywidualnych parametrów αex dla atomów. Parametry αex wyznaczono w oparciu o energię jonizacji atomów. W oparciu o tak zmodyfikowaną metodę HFS wyznaczono rozkłady gęstości elektronów w atomach.
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Cassava, a 21st Century Staple Crop: How can Nigeria Harness Its Enormous Trade Potentials?
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Cocoyam [Colocasia esculenta (L.) Schott]: Exploring the Production, Health and Trade Potentials in Sub-Saharan Africa
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Calculation of the standard potentials of the dithiocarbamate/thiuram disulfide redox system via thermochemical cycles and computational electrochemistry .
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Assessment of cytotoxic and endocrine potential of selected xenobiotics commonly present in food products
PublicationMore and more increased intensity of anthropopressure processes can be observed, among other things, in the release of great quantities of synthetic substances into the environment, including the Endocrine Disrupting Compounds (EDC). A vast number of chemical substances is considered to belong to the this group, including substances which occur naturally in the environment, such as mycotoxins and phytoestrogens, and substances...
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Computer-Aided Calculations of Earth Potential Rise in High Voltage Overhead Lines
PublicationHigh voltage overhead power lines with earth wires comprise towers made of conductive material. Some towers are in locations where people can be expected to be either for a long time or for a short time but very frequently. Evaluation of shock hazard near such towers requires calculation of line-to-earth short-circuit current, earth current and especially earth potential rise. Number of towers in high voltage power lines can exceed...
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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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Mercury contamination, a potential threat to the globally endangered aquatic warbler Acrocephalus paludicola
PublicationMercury (Hg) contamination is considered a global concern for humans and wildlife, and although the number of studies dealing with that issue continues to increase, some taxonomic groups such as small passerine birds are largely understudied. In this paper, concentration of mercury in the aquatic warbler (Acrocephalus paludicola) feathers, a globally threatened passerine species, was examined. The concentration differences between...
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The synthesis and structure of a potential immunosuppressant: N-mycophenoyl malonic acid dimethyl ester
PublicationThe synthesis of a potential immunosuppressant, i.e. dimethyl ester of N-mycophenoyl malonic acid was optimized in the reaction of mycophenolic acid (MPA) with amino malonic dimethyl ester in the presence of propanephosphonic anhydride (T3P) as a coupling reagent. The structural properties of the obtained MPA derivative were investigated by NMR, MS and single crystal X-ray diffraction methods. Theoretical considerations of conformational...
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Chitosan-protein scaffolds loaded with lysostaphin as potential antistaphylococcal wound dressing materials.
PublicationAIMS: The development of technology for preparing chitosan-protein scaffolds loaded with lysostaphin, which potentially could be used as dressing for wound treatment and soft tissue infections caused by Staphylococcus aureus. METHODS AND RESULTS: The unique technology of chitosan solubilization using gaseous CO(2) instead of organic or inorganic acids was used for the incorporation of lysostaphin, the enzyme that exhibits bactericidal...
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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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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
PublicationAb 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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Nitrogen-doped diamond thin films: potential application in Fabry-Pérot interferometer
PublicationIn this paper we present results of preliminary research of using nitrogen-doped diamond (NDD) films as reflective layer in Fabry-Pérot interferometer. NDD films were deposited on Si substrates by Microwave Plasma Enhanced Chemical Vapor Deposition (MPECVD) with the use of CH4, H2 and N2 gas mixtures. During deposition process methane flow rate varied while nitrogen flow was constant. We performed series of measurements which showed...
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Analysing the potential for application of the phase shift method in endoscopic examination of marine engines
PublicationThe article presents theoretical principles of image processing in digital endoscopy which makes use of a miniaturised spectral scanner “PhaseProbe” designed by General Inspection Technologies LP, the producer of the measuring videoendoscope Everest XLG3. The technology of optoelectronic 3D mapping of the examined surface, which consists in measuring the phase shift between the emitted and reflected light waves, is briefly described....
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Chemometric Evaluation of Urinary Steroid Hormone Levels as Potential Biomarkers of Neuroendocrine Tumors
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Assessment of the potential for dredged material dispersal from dumping sites in the Gulf of Gdańsk
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Application for novel electrochemical screening of antioxidant potential and phytochemicals in Cornus mas extracts
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Application of the Fröbenius method to the Schrödinger equation for a spherically symmetric potential: an anharmonic oscillator
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314 Osteopontin as a Potential Serum Marker in Early Breast Cancer-Preliminary Results
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The Goosander as potential indicator of naturalness and biodiversity in submontane river valleys of northern Carpathians
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The exploitation of anticarcinogenic potential of white cabbage to improve nutritional value of meat products
PublicationBadania dotyczyły wykorzystania zalet składników kapusty białej w celu opracowania technologii wytwarzania wyrobów mięsnych wzbogaconych w związki przeciwrakotwórcze a zatem o poprawionej wartości żywieniowej. Wybór warzywa wynikał zarówno z środkowoeuropejskiej tradycji spożywania kapusty z daniami mięsnymi jak i badań modelowych wskazujących na technologiczne i zdrowotne zalety skojarzenia tego warzywa z mięsem.
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Synthesis of conjugates of MDP and nor-MDP linked to tuftsin derivatives as potential immunomodulators
PublicationZsyntetyzowano nowe koniugaty muramylodipeptydu (MDP) i nor-muramylo-dipeptydu (nor-MDP) z pochodnymi tuftsyny zawierającymi wiązanie izopeptydowe na epsilon-aminowej grupie lizyny jako potencjalne immunomodulatory. Do syntezy wykorzystano metodę mieszanych bezwodników z chloromrówczanem izobutylu i N-metylomorfoliną w bezwodnym DMF. Końcowe produkty charakteryzowno za pomocą NMR, analizy elementarnej i analizy aminokwasowej na...
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Response of the local pair superconductor to the static vector potential at finite wave length
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CRF1 receptor splicing in epidermal keratinocytes: Potential biological role and environmental regulations
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Turning maneuver as a potential cause of the next stability failure mode for a ship in operation
PublicationThe only formal stability-related requirement referring to a turning maneuver of a ship results from the IS Codeand its application is limited to passenger ships only. The goal of the adopted criterion is to prevent an excessiveangle of heel in turn. Likewise, the remaining prescriptive criteria, this one is simply based on the concept ofa threshold that must not be exceeded. In this case, the angle of heel...
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Recent improvements in prediction of protein structure by global optimization of a potential energy function
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Potential of Mean Force of Association of Large Hydrophobic Particles: Toward the Nanoscale Limit
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Analysis of Potential Exposure to Components of Municipal Solid Waste in a Mechanical Biological Treatment
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Evaluation of Analytes Characterized with Potential Protective Action after Rat Exposure to Lead
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Potential application of pure silica optical flat fibers for radiation therapy dosimetry
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Evidence for interactions between homocysteine and genistein: insights into stroke risk and potential treatment
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Delineating Groundwater Recharge Potential through Remote Sensing and Geographical Information Systems
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9,9′-bifluorenylidene derivatives as novel hole-transporting materials for potential photovoltaic applications
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The Use of Stem Cells as a Potential Treatment Method for Selected Neurodegenerative Diseases: Review
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Single-pill combinations, hypertension control and clinical outcomes: potential, pitfalls and solutions
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Trade potential of Rwanda: Policy implications from taxonomic analysis of quality of institutions
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Potential plasma biomarkers of bladder cancer identified by proteomic analysis: A pilot study
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Urinary Proteome of Newborn Calves—New Potential in Non-Invasive Neonatal Diagnostic
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The Analysis of Cultural Heritage Assets as a Potential for Local Development: Study of the Academic Environment
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Zeta potential, effective diameter and multimodal size distribution in oil/water emulsion
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Role of Herbal Bioactive Compounds as a Potential Bioavailability Enhancer for Active Pharmaceutical Ingredients
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Hexagonal Boron Nitride Functionalized with Au Nanoparticles—Properties and Potential Biological Applications
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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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Homoclinic solutions for a class of autonomous second order Hamiltonian systems with a superquadratic potential
PublicationW niniejszej pracy udowodniliśmy istnienie nietrywialnego rozwiązania homoklinicznego dla autonomicznych układów Hamiltona drugiego rzędu z nadkwadratowym potencjałem. Orbitę homokliniczną otrzymaliśmy jako słabą granicę ciągu punktów prawie krytycznych, stosując zasadę minimaks do odpowiedniego funkcjonału akcji oraz prosty argument typu ''concentration-compactness''.