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Search results for: empirical potentials
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Low-Coherence Interferometric Fiber-Optic Sensors with Potential Applications as Biosensors
PublicationFiber-optic Fabry-Pérot interferometers (FPI) can be applied as optical sensors, and excellent measurement sensitivity can be obtained by fine-tuning the interferometer design. In this work, we evaluate the ability of selected dielectric thin films to optimize the reflectivity of the Fabry-Pérot cavity. The spectral reflectance and transmittance of dielectric films made of titanium dioxide (TiO2) and aluminum oxide (Al2O3) with...
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Application of the neural networks for developing new parametrization of the Tersoff potential for carbon
PublicationPenta-graphene (PG) is a 2D carbon allotrope composed of a layer of pentagons having sp2- and sp3-bonded carbon atoms. A study carried out in 2018 has shown that the parameterization of the Tersoff potential proposed in 2005 by Ehrhart and Able (T05 potential) performs better than other potentials available for carbon, being able to reproduce structural and mechanical properties of the PG. In this work, we tried to improve the...
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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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Activation of endogenous regenerative potential in mammals using epigenetic inhibitor zebularine
PublicationIn this work, a nucleoside inhibitor of DNA methyltransferases, zebularine, was investigated as a wound healing and regeneration promoting agent. It was found that a high dose of intraperitoneally delivered zebularine improved punch wound closure in the ear pinna in mice. Both cytidine, a zebularine analogue, and uridine, a zebularine metabolite, did not promote ear pinna hole closure. The effect of zebularine on ear pinna healing...
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Copper Slag as a Potential Waste Filler for Polyethylene-Based Composites Manufacturing
PublicationThe present study aimed to analyze the application of waste material from copper production– copper slag (ŻŻL) as filler for composites based on the high-density polyethylene (HDPE). Copper slag filler was introduced in the amounts of 1–20 wt%, and its influence on the appearance (color analysis), chemical structure (Fourier-transform infrared (FTIR) spectroscopy), microstructure (optical microscopy), as well as static (tensile...
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Landscape as a Potential Key Concept in Urban Environmental Planning: The Case of Poland
PublicationRapid urban development increases the consumption of materials, energy, and water, resulting in an overproduction of waste and emissions. These cause many environmental threats, such as ozone layer depletion and rain acidification, leading to climate change. Therefore, the question arises on how to improve the effectiveness of tools that strengthen environmental protection. This discursive article presents an approach stressing...
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Potential of Functionalized Polyolefins in a Sustainable Polymer Economy: Synthetic Strategies and Applications
PublicationPolymers play a crucial role in our modern life as no other material exists that is so versatile, moldable, and lightweight. Consequently, the demand for polymers will continue to grow with the human population, modernization, and technological developments. However, depleted fossil resources, increasing plastic waste production, ocean pollution, and related growing emission of greenhouse gases has led to a change in the way we...
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Study of the anticancer potential of Cd complexes of selenazoyl-hydrazones and their sulfur isosters
PublicationThe biological activity of Cd compounds has been investigated scarce since Cd has been recognized as a human carcinogen. However, the toxicity of cadmium is comparable to the toxicity of noble metals such as Pt and Pd. The paradigm of metal toxicity has been challenged suggesting that metal toxicity is not a constant property, yet it depends on many factors like the presence of appropriate ligands. Studies on anticancer activity...
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Low-Coherence Interferometric Fiber-Optic Sensors with Potential Applications as Biosensors
PublicationFiber-optic Fabry-Pérot interferometers (FPI) can be applied as optical sensors, and excellent measurement sensitivity can be obtained by fine-tuning the interferometer design. In this work, we evaluate the ability of selected dielectric thin films to optimize the reflectivity of the Fabry-Pérot cavity. The spectral reflectance and transmittance of dielectric films made of titanium dioxide (TiO2) and aluminum oxide (Al2O3) with...
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Bee Bread Exhibits Higher Antimicrobial Potential Compared to Bee Pollen
PublicationThis study aimed at investigation of the antimicrobial potential of ethanolic extracts of bee bread (BB) and bee pollen (BP) and suspensions of these products in MHB (Mueller Hinton Broth). We covered 30 samples of BP and 19 samples of BB harvested in Polish apiaries. Slightly lower activity was observed against Gram-negative bacteria compared to Gram-positive staphylococci. BB extracts exhibited higher inhibitory potential with...
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Potential and Use of the Googlenet Ann for the Purposes of Inland Water Ships Classification
PublicationThis article presents an analysis of the possibilities of using the pre-degraded GoogLeNet artificial neural network to classify inland vessels. Inland water authorities monitor the intensity of the vessels via CCTV. Such classification seems to be an improvement in their statutory tasks. The automatic classification of the inland vessels from video recording is a one of the main objectives of the Automatic Ship Recognition and...
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JMATRIX - a package for relativistic J-matrix calculations in elastic scattering of electrons from model potentials
PublicationWe present a software package JMATRIX, consisting of two computer codes written in FORTRAN 95 and parallelized with OpenMP, implementing the so-called J-matrix method, applied to elastic scattering of electrons on the radial potential, vanishing faster than Coulomb one. In the J-matrix method, physical scattering problem is replaced by using well-defined model, which is solved analytically. Presented software implements both non-relativistic...
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High-frequency changes in single-trial visual evoked potentials for unattended stimuli in chronic schizophrenia
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Determination of LFER descriptors of 30 cations of ionic lquids - progress in understanding their molercular interaction potentials
PublicationW celu zrozumienia interakcji molekularnych trzydziestu kationów cieczy jonowych, zastosowano powszechnie znaną koncepcję liniowej zależności energii swobodnej (LFER). Deskryptory LFER dla nadmiarowej refrakcji molowej i objętości molowej, zostały obliczone in silico, natomiast kwasowość i zasadowość wiązań wodorowych, i polaryzowalność/dipoloarność kationów cieczy jonowych zostały oznaczone eksperymentalnie za pomocą wysokosprawnej...
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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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Calculation of the standard potentials of the dithiocarbamate/thiuram disulfide redox system via thermochemical cycles and computational electrochemistry .
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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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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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BIOGAS PRODUCTION FROM BAKERY WASTES -DYNAMICS, RETENTION TIME AND BIOGAS POTENTIAL
PublicationThis paper presents results of bakery-waste methane-fermentation. The scope of the study covers the determination of basic physicochemical parameters, process dynamics and retention time as well as biogas composition and biogas efficiency. Methane fermentation process was carried out in accordance with German Standard DIN 38414 S8 and under condition of 38°C. Conclusion: bakery wastes have big potential for biogas production.
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SYNTHESIS OF PHOSPHORUS TACRINE ANALOGUES AS A NEW POTENTIAL ANTI-ALZHEIMER’S DISEASE AGENTS
PublicationA series of novel phosphorus tacrine derivatives was obtained in three steps, including synthesis of 9-chlorotacrine, connection of 9-chlorotacrine with hexamethylenediamine, 1,8-diaminooctane and 1,12-diaminododecane linkers and reaction of obtained tacrine diamine analogues with corresponding acid ester to give nine tacrine organophosphorus compounds. All of the obtained final structures were characterized by 1H NMR, 13C NMR,...
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Effect Of Resveratrol And Quercetin On Telomerase Regulation In Cancer Cells And Their Anti-Cancer Potential
PublicationTelomeres and telomerase are nowadays one on targets for anticancer therapy. Telomerase is expressed in ~90% of human cancer cell lines and tumor specimens, whereas its enzymatic activity is not detectable in most human somatic cells. Was found that some dietary compounds can modulate telomerase activity in cancer cells. This review summarizes the current knowledge about the effects of resveratrol and quercetin on telomerase regulation...
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Clinical Application of Bioextracts in Supporting the Reproductive System of Animals and Humans: Potential and Limitations
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Adaptative Potential of the Lactococcus Lactis IL594 Strain Encoded in Its 7 Plasmids
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NEEDS AND CHALLENGES IN DISPATCHING EMERGENCY MEDICAL SERVICES IN SITUATIONS OF POTENTIAL MILITARY DANGER
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Evaluation of fouling potential of nanofiltration membranes based on the dynamic contact angle measurements
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Impacting the Remedial Potential of Nano Delivery-Based Flavonoids for Breast Cancer Treatment
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Determination of the chemical structure of potential organic impurities occurring in drug substance opipramol
PublicationThe tricyclic antipsychotic and antidepressant drug opipramol (opipramole) was examined with regard to the chemical structure of its organic impurities. Impurities were isolated from the technical product by chromatographic methods and their chemical structures were established by 1H NMR, MS and FTIR and further confirmed by comparison with commercially available products or with products obtained by independent synthesis, and...
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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 synthesis of 1,4,7,10-tetraazacyclododecanes with acetylsalicylic side arm as potential cobalt(II) fluorophores.
PublicationMonoacylowe pochodne 1,4,7,10-tetraazacyklododekanu otrzymano w bezpośredniej reakcji cyklenu z chlorkiem kwasu salicylowego, jak również przy użyciu trichronionego cyklenu. Monoacylową pochodną wykorzystano następnie w reakcji z fosforynem etylu otrzymując difunkcyjny związek. Otrzymane ligandy zbadano spektrofotometrycznie. Obydwa ligandy oddziaływują selektywnie z jonami Co(II), tworząc kompleksy o stechiometrii 2:1 i 1:1 (ligand:metal).
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Overview of current communication systems for security forces. Features, limitations and potential solutions
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Sensing properties of a mixed-potential type NOx sensor based on YSZ ceramic
PublicationW pracy przedstawiono wyniki badań czujnika typu ''mixed-potential''. Czujnik zbudowany jest na bazie YSZ z warstwą NiO. Zbadano właściwości czujnika w rożnych stężeniach NO2. Zbadano wpływ grubości warstwy NiO na właściwości czujnika.
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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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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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