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Search results for: density functional theory
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Numerical method of bicharacteristics for quasilinear hyperbolic functional differential systems
PublicationPraca dotyczy numerycznej aproksymacji rozwiązań zagadnień początkowo brzegowych dla układów quasiliniowych równań różniczkowo funkcyjnych pierwszego rzędu. Stosuje się metodę różnicową typu Eulera. Siatka otrzymywana jest za pomocą numerycznego rozwiązywania równań różniczkowo funkcyjnych bicharakterystyk.Stabilność schematu różnicowego jest dowodzona metodą porównawczą. O danych funkcjach zakłada się, że spełniają nieliniowe...
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On the Chaplyghin method for generalized solutions of partial differential functional equations
PublicationW pracy tej rozważa się zagadnienia początkowo-brzegowe dla semiliniowych równań różniczkowo-funkcyjnych cząstkowych pierwszego rzędu. Przy naturalnych założeniach o funkcjach danych, istnieje ciąg Czapłygina i jest on zbieżny do rozwiązania w sensie Caratheodory'ego wyjściowego zagadnienia. Podane jest oszacowanie błędu rozwiązania przybliżonego. Wykazuje się, iż metoda Czapłygina dla powyższego zagadnienia jest równoważna metodzie...
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Functional domains of Candida albicans glucosamine-6-phosphate synthase.
PublicationSkonstruowano oddzielnie dwie domeny syntazy GlcN-6-P z Candida albicans jako białka fuzyjne, tj. domenę glutaminazową oraz domenę izomerazową, zawierające sekwencje poliHis, odpowiednio na C- i N-końcu. Zoptymalizowano warunki nadekspresji domen w komórkach Escherichia coli. Oba białka oczyszczono do homogenności przy zastosowaniu chromatografii metalopowinowactwa oraz zbadano ich podstawowe właściwości. Wyznaczono parametry kinetyczne...
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Initial problems for neutral functional differential equations with unbounded delay.
PublicationSformułowano układ aksjomatów dla przestrzeni fazowej . Wykazano istnienie jednoznaczności rozwiązań zagadnienia Cauchy´ego. Dowód wykorzystuje metody porównawcze z nieliniowymi oszacowaniami dla danej funkcji.
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Layers of protection analysis in teh context of functional safety management
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Structural and Functional Analysis of Human HtrA3 Protease and Its Subdomains
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Functional properties of packaging materials from chemical modified stach.
PublicationThis work is focused on study of the mechanical and barrier properties of films obtained from potato starch modified with sodium tetrahydroxozincate generated in situ. The results show that the chemical modification of starch improved the water vapor permeability by about 25%, unfortunately decreased the elongation at break by 60%, when compared with unmodified starch films. However, placitization of films with glycerol at a concentration...
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Functional Thin Films Resulting from Parylene-Vinyl Copolymerization
PublicationW publikacji zawarto wyniki obliczeń kwantowych i kinetycznych dotyczących struktury 1-szo rzędowej kopolimerów uzyskiwanych w czasie CVD parylenu na cieczach.
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Gold nanoparticles evaluation using functional optical coherence tomography
PublicationThe main object of this research was to assess the ability to characterize the gold nanoparticles using optical modalities like optical coherence tomography. Since the nanoparticles, especially gold one, have been very attractive for medical diagnosis and treatment the amount of research activities have been growing rapidly. The nanoparticles designed for different applications like contrast agents or drugs delivery change the...
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An increased skin microvessel density is associated with neurovascular complications in type 1 diabetes mellitus
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Multiaxial fatigue life assessment in notched components based on the effective strain energy density
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Mechanical response of buried High-Density Polyethylene pipelines under normal fault motions
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MicroscopicA75sNMR study of the effect of impurities on the first-order spin-density-wave transition inBaFe2As2
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Optimizing acoustic field intesity algorithms using the sound ray surface density method.
PublicationW artykule przedstawiono zagadnienia optymalizacji algorytmów komputerowych obliczeń rozkładów natężeń pola akustycznego w akwenie w zależności od za- mierzonych warunków hydrologicznych pod kątem skrócenia czasu obliczń.
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Blood pressure and low-density lipoprotein-cholesterol lowering for prevention of strokes and cognitive decline
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Positron-electron correlation-polarization potentials for the calculation of positron collisions with atoms and molecules
PublicationWe present correlation-polarization potentials for the calculation of scattering cross sections of positrons with atoms and molecules. The potentials are constructed from a short-range correlation term and a long-range polarization term. For the short-range correlation term we present four different potentials that are derived from multi-component density functionals. For the long-range polarization term we employ a multi-term...
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[NF] Physical Research Methods III: Scattering Theory
e-Learning Courses{mlang pl} Dyscyplina: NF Zajęcia obowiązkowe dla doktorantów II i III roku Prowadzący: Prof. Simone Taioli Liczba godzin: 15 Forma zajęć: wykład/seminarium {mlang} {mlang en} Discipline: NF Obligatory course for 2-nd and 3-rd year PhD students Academic teacher: Prof. Simone Taioli Total hours of training: 15 teaching hours Course type: lecture/seminar {mlang}
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Functional and spatial structure analysis – Lower Sopot (Dolny Sopot) district case study, study proposal no 1, February 2021
Open Research DataThe data presents results of work within the studies of the conditions of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 1, from February 2021. The goal of the research process was to present the functional and spatial structure analysis of the area located in Lower Sopot (Dolny Sopot) district in the...
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Functional and spatial structure analysis – Lower Sopot (Dolny Sopot) district case study, study proposal no 2, February 2021
Open Research DataThe data presents results of work within the studies of the conditions of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 2, from February 2021. The goal of the research process was to present the functional and spatial structure analysis of the area located in Lower Sopot (Dolny Sopot) district in the...
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Functional and spatial structure analysis – Lower Sopot (Dolny Sopot) district case study, study proposal no 4, February 2021
Open Research DataThe data presents results of work within the studies of the conditions of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 4, from February 2021. The goal of the research process was to present the functional and spatial structure analysis of the area located in Lower Sopot (Dolny Sopot) district in the...
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Functional and spatial structure analysis – Lower Sopot (Dolny Sopot) district case study, study proposal no 3, February 2021
Open Research DataThe data presents results of work within the studies of the conditions of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 3, from February 2021. The goal of the research process was to present the functional and spatial structure analysis of the area located in Lower Sopot (Dolny Sopot) district in the...
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Functional and spatial structure analysis – Lower Sopot (Dolny Sopot) district case study, study proposal no 5, February 2021
Open Research DataThe data presents results of work within the studies of the conditions of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 5, from February 2021. The goal of the research process was to present the functional and spatial structure analysis of the area located in Lower Sopot (Dolny Sopot) district in the...
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Functional and spatial structure analysis – Lower Sopot (Dolny Sopot) district case study, study proposal no 6, February 2021
Open Research DataThe data presents results of work within the studies of the conditions of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 6, from February 2021. The goal of the research process was to present the functional and spatial structure analysis of the area located in Lower Sopot (Dolny Sopot) district in the...
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Theory versus experiment for vacuum Rabi oscillations in lossy cavities. II. Direct test of uniqueness of vacuum
PublicationThe paper continues the analysis of vacuum Rabi oscillations we started in part I [Phys. Rev. A 79, 033836 (2009)]. Here we concentrate on experimental consequences for cavity QED of two different classes of representations of harmonic-oscillator Lie algebras. The zero-temperature master equation, derived in part I for irreducible representations of the algebra, is reformulated in a reducible representation that models electromagnetic...
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Geometrically nonlinear FEM analysis of FGM shells based on neutral physical surface approach in 6-parameter shell theory
PublicationThe paper presents the formulation of the elastic constitutive law for functionally graded materials (FGM) on the grounds of nonlinear 6-parameter shell theory with the 6th parameter being the drilling degree of freedom. The material law is derived by through-the-thickness integration of the Cosserat plane stress equations. The constitutive equations are formulated with respect to the neutral physical surface. The influence of...
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Synthesis and Characterization of Poly(zwitterionic) Structures for Energy Conversion and Storage
PublicationZwitterions are unique class of molecules that possess two functional groups bearing electric charges, one positive and second negative. This setup results in peculiar properties such as high water retention and anti-fouling capability. Therefore, zwitterionic coatings and gels are commonly applied in e.g. biosensing and bioelectronic devices. Despite those applications, there are other perspectives for zwitterionic materials....
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Untargeted Lipidomics Analysis of the Cyanobacterium Synechocystis sp. PCC 6803: Lipid Composition Variation in Response to Alternative Cultivation Setups and to Gene Deletion
PublicationCyanobacteria play an important role in several ecological environments, and they are widely accepted to be the ancestors of chloroplasts in modern plants and green algae. Cyanobacteria have become attractive models for metabolic engineering, with the goal of exploring them as microbial cell factories. However, the study of cyanobacterial lipids’ composition and variation, and the assessment of the lipids’ functional and structural...
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Self-assembly, stability and conductance of amphotericin B channels: bridging the gap between structure and function
PublicationAmphotericin B (AmB), one of the most powerful but also toxic drugs used to treat systemic mycoses, is believed to selectively permeabilize fungal cell membranes to ions in a sterol-dependent manner. Unfortunately, the structure of the biologically active AmB channels has long eluded researchers, obstructing the design of safer alternatives. Here, we investigate the structural and thermodynamic aspects of channel formation, stability,...
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Enzymatic and Chemical Cross-Linking of Bacterial Cellulose/Fish Collagen Composites—A Comparative Study
PublicationThis article compares the properties of bacterial cellulose/fish collagen composites (BC/Col) after enzymatic and chemical cross-linking. In our methodology, two transglutaminases are used for enzymatic cross-linking—one recommended for the meat and the other proposed for the fish industry—and pre-oxidated BC (oxBC) is used for chemical cross-linking. The structure of the obtained composites is characterized by scanning electron...
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Electrochemical synthesis of 2D copper coordination-polymers: Layer-stacking deviation induced by the solvent and its effect on the adsorptive properties
PublicationA 2D Cu-based Metal-Organic Framework (MOF), namely copper-terephthalate (Cu(1,4-BDC)), was successfully synthesized by electrochemical method for effective methylene blue (MB) sorption from aqueous solutions. The composition, morphology, and the presence of functional groups in the obtained material were verified by Fourier Transform Infrared spectroscopy (FTIR), Powder X-Ray Diffraction (PXRD), Thermal (TGA), and Elemental (EA)...
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β-cyclodextrin-containing polymer based on renewable cellulose resources for effective removal of ionic and non-ionic toxic organic pollutants from water
PublicationA novel, bio-derived cyclodextrin-based trifunctional adsorbent has been successfully synthesized for efficient, rapid and simultaneous removal of a broad-spectrum of toxic ionic (anionic and cationic dyes) and non-ionic organic pollutants from water. The composition, morphology and the presence of functional groups in the obtained sorption material were characterized by elemental analysis, XRD, SEM, and FTIR spectroscopy. The...
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Yerba Mate - A Long but Current History
PublicationBearing in mind the growing interest in Yerba Mate, a comprehensive study has been prepared containing the most important aspects and possibilities of its use. The introduction of the work contains the species characteristics of Yerba Mate, as well as information about the origin and places of cultivation. The next part focuses on the analysis of the composition, pointing to purine alkaloids, polyphenols, saponins, and minerals...
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Removal of Arsenic from Wastewater Using Hydrochar Prepared from Red Macroalgae: Investigating Its Adsorption Efficiency and Mechanism
PublicationArsenic (As) is a prominent carcinogen component produced via both geogenic and anthropogenic processes, posing serious risks to human health. This study aimed to investigate the potential of hydrochar prepared from red macroalgae for removing As from synthetic wastewater. The hydrochar was produced through 5 h hydrothermal carbonization (HTC) treatment at 200 °C, and then, chemically activated with ferric chloride hexahydrate...
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Evolutionary Sets of Safe Ship Trajectories Within Traffic Separation Schemes
PublicationThe paper presents the continuation of the author's research on Evolutionary Sets of Safe Ship Trajectories (ESoSST) methodology. In an earlier paper (Szlapczynski, 2011) the author described the foundations of this methodology, which used Evolutionary Algorithms (EA) to search for an optimal set of safe trajectories for all the ships involved in an encounter. The methodology was originally designed for open waters or restricted...
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Interaction of 4-nitrothiophenol with low energy electrons: Implications for plasmon mediated reactions
PublicationThe reduction of 4-nitrothiophenol (NTP) to 4-4′-dimercaptoazobenzene (DMAB) on laser illuminated noble metal nanoparticles is one of the most widely studied plasmon mediated reactions. The reaction is most likely triggered by a transfer of low energy electrons from the nanoparticle to the adsorbed molecules. Besides the formation of DMAB, dissociative side reactions of NTP have also been observed. Here, we present a crossed electron-molecular...
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Structural insights, biocatalytic characteristics, and application prospects of lignin-modifying enzymes for sustainable biotechnology
PublicationLignin modifying enzymes (LMEs) have gained widespread recognition in depolymerization of lignin polymers by oxidative cleavage. LMEs are a robust class of biocatalysts that include lignin peroxidase (LiP), manganese peroxidase (MnP), versatile peroxidase (VP), laccase (LAC), and dye-decolorizing peroxidase (DyP). Members of the LMEs family act on phenolic, non-phenolic substrates and have been widely researched for valorization...
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The correlation between nutritional and health potential and antioxidant properties of raw edible oils from cultivated and wild plants
PublicationThe nutritional properties and health potential of oils from 15 various cultivated and wild plants were investigated on the basis of the fatty acids profiles, total carotenoids and tocopherols content, antioxidant properties and health potential indexes such as atherogenicity index (AI). The oil contents of the plants varied between 0.9 g/100 g for lychee seeds and 29.7 g/100 g for borage seeds. The tocopherol content in oils ranged...
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Comprehensive analysis of low-temperature methods for reclaiming of ground tire rubber
PublicationManagement of waste tires has become an important topic for decades. The lack of an effective method to manage the materials as mentioned above leads to illegal landfills. This problematic waste can be divided into two main categories depending on the physical condition of the waste: (i) partially used tires; (ii) end-of-life tires. While the first group can be reused or retreaded, the second group requires special measures to...
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Neural Graph Collaborative Filtering: Analysis of Possibilities on Diverse Datasets
PublicationThis paper continues the work by Wang et al. [17]. Its goal is to verify the robustness of the NGCF (Neural Graph Collaborative Filtering) technique by assessing its ability to generalize across different datasets. To achieve this, we first replicated the experiments conducted by Wang et al. [17] to ensure that their replication package is functional. We received sligthly better results for ndcg@20 and somewhat poorer results for...
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Mechanical characteristics of welded joints between different stainless steels grades
Publicationnvestigation of mechanical characteristics of welded joints is one of the most important tasks that allow determining their functional properties. Due to the very high, still rising, cost of some stainless steels it is justified, on economic grounds, welding austenitic stainless steel with steels that are corrosion-resistant like duplex ones. According to forecasts the price of...
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Study of pH and temperature effect on lipophilicity of catechol-containing antioxidants by reversed phase liquid chromatography
PublicationLipophilicity of selected antioxidant phytochemicals, including flavonoids, phenolic acids and xanthonoids, was determined by reversed phase high performance liquid chromatography with UV detection (RP-HPLC-UV). The analyses run at different temperature and pH conditions in isocratic mode suggested that lipophilicity as distribution coefficient (logD) between aqueous and organic phase decreases with increasing temperature. For...
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Thermal and technological aspects of double face grinding of Al2O3 ceramic materials
PublicationDouble face grinding with planetary kinematics is a process to manufacture workpieces with plan parallel functional surfaces, such as bearing rings or sealing shims. In order to increase the economic efficiency of this process, it has to be advanced permanently. The temperature in the contact zone of most grinding processes has a huge influence on the process efficiency and the workpiece qualities. In contrast to most grinding...
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Advanced oxidation processes for the removal of mono and polycyclic aromatic hydrocarbons – A review
PublicationAromatic hydrocarbons (AHs) are toxic environmental contaminants presented in most of the environmental matrices. Advanced oxidation processes (AOPs) for the removal of AHs in the account of complete mineralization from various environmental matrices have been reviewed in this paper. An in-depth discussion on various AOPs for mono (BTEX) and polyaromatic hydrocarbons (PAHs) and their derivatives is presented. Most of the AOPs were...
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Study on the Coastline Evolution in Sopot (2008–2018) Based on Landsat Satellite Imagery
PublicationThe coastline is the boundary between the water surface in a reservoir or watercourse and the land, which is characterised by high instability and functional diversity. For these reasons, research on coastal monitoring has been conducted for several decades. Currently, satellite images performed with synthetic aperture radars (SARs) are used to determine its course and variability together with high-resolution multispectral imagery...
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Journal of Functional Biomaterials
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Functional Differential Equations
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pH gradient high-performance liquid chromatography: theory and applications
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The Poland-United States Security Relations in the light of Asymmetry Theory
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On kinematics in the theory of multiphase media, comparison between two traditions
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Modeling of production planning and control process consistent with theory of constraint
PublicationArtykuł dotyczy problematyki zastosowania metody werbel-bufor-lina do planowania produkcji w systemach produkcyjnych z wielokrotnymi buforami. W artykule przedstawiono algorytm - jego funkcje, dane wejściowe i wyjściowe - który może mieć zastosowanie do modelowania procesu planowania i sterowania produkcją. Algorytm umożliwia określenie wielkości czasowych buforów w systemie oraz terminów rozpoczęcia i zakończenia realizacji zadań....