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Search results for: tersoff potential
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Employee Well-Being and its Potential Link With Human Knowledge Risks
PublicationEmployee 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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Modified Peptide Molecules As Potential Modulators of Shelterin Protein Functions; TRF1
PublicationIn 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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The potential of computational methods for the categorization of architectural objects on the example of media architecture
PublicationThe paper presents an example of the categorization of architectural objects and assessment of the characteristics of urban space, based on the analysis of specific features of architectural objects and urban landscape. The conducted analysis refers to media architecture and is presented in the complex context of the development of media solutions. The field of influence of IT on architecture is also stressed, both on the architect’s...
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Potential of Explainable Artificial Intelligence in Advancing Renewable Energy: Challenges and Prospects
PublicationModern 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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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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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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Antimicrobial activity of Potentilla species
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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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Quasirelativistic potential energy curves of NaRb dimer
Open Research DataThis data presents potential energy curves of NaRb dimer, that include spin-orbit interaction, in Hund's case (c). Calculated using Born-Oppenheimer approximation with relativistic effects included via large spin-orbit effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron...
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Adiabatic potential energy curves of the KRb molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states have been calculated for the KRb molecule. Presented APECs correlate with 11 atomic asymptotes, starting from ground K(4s)+Rb(5s) atomic limit and ending on double-excited K(4p)+Rb(5p) atomic limit. All results of the presented...
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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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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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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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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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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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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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Overview of current communication systems for security forces. Features, limitations and potential solutions
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Advanced Assessment of the Endogenous Hormone Level as a Potential Biomarker of the Urogenital Tract Cancer
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Potential Aluminium(III)- and Gallium(III)-selective Optical Sensors Based on Porphyrazines
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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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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 La0.3Sr0.7Ti1−xCoxO3 as a potential cathode material for solid oxide fuel cells
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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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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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EIGHT OLD CULTIVARS OF APPLE TREES – AN EVALUATION OF THEIR POTENTIAL FOR USE BY THE PROCESSING INDUSTRY
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The Round Robin approach applied to nanoinformatics: consensus prediction of nanomaterials zeta potential
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Kombucha as a Potential Active Ingredient in Cosmetics—An Ex Vivo Skin Permeation Study
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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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The Use of Stem Cells as a Potential Treatment Method for Selected Neurodegenerative Diseases: Review
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