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Search results for: covid-19 molecular docking multi-epitopes vaccinesmm-pbsa/mm-gbsa analysis sars-cov-2 variants
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Ekspertyza historyczna uzasadniająca wniosek o włączenie budynków przy ul. Orłowskiej 17 i 19 do Wojewódzkiego Rejestru Zabytków
PublicationExpertyza wskazuje na wartości zabytkowe dwóch domów rybacko-letniskowych przy ulicy Orłowskiej 17 i 19, znajdujących się w zespole z pensjonatem "Czerwony Dwór" przy ul. Orłowskiej 15
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On the derivatives $\partial^{2}P_{\nu}(z)/\partial\nu^{2}$ and $\partial Q_{\nu}(z)/\partial\nu$ of the Legendre functions with respect to their degrees
PublicationWe provide closed-form expressions for the degree-derivatives $[\partial^{2}P_{\nu}(z)/\partial\nu^{2}]_{\nu=n}$ and $[\partial Q_{\nu}(z)/\partial\nu]_{\nu=n}$, with $z\in\mathbb{C}$ and $n\in\mathbb{N}_{0}$, where $P_{\nu}(z)$ and $Q_{\nu}(z)$ are the Legendre functions of the first and the second kind, respectively. For $[\partial^{2}P_{\nu}(z)/\partial\nu^{2}]_{\nu=n}$, we find that % \begin{displaymath} \frac{\partial^{2}P_{\nu}(z)}{\partial\nu^{2}}\bigg|_{\nu=n} =-2P_{n}(z)\Li_{2}\frac{1-z}{2}+B_{n}(z)\ln\frac{z+1}{2}+C_{n}(z), \end{displaymath} % where...
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SFEM Analysis of Beams with Scaled Lengths including Spatially Varying and Cross-Correlated Concrete Properties
PublicationThis paper presents the results obtained for plain concrete beams under four-point bending with spatially varying material properties. Beams of increasing length but constant depth were analyzed using the stochastic finite element method. Spatial fluctuation of a uniaxial tensile strength, fracture energy and elastic modulus was defined within cross-correlated random fields. The symmetrical Gauss probability distribution function...
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Multi-Taper-Based Automatic Correction of Non-Anechoic Antenna Measurements
PublicationPrototype measurements belong to the key steps in the development of antenna structures. Although accurate validation of their far-field performance can be realized in dedicated facilities, such as anechoic chambers, the high cost of their construction and maintenance might not be justified if the main goal of measurements is to support teaching or low-budget research. Instead, they can be performed in non-anechoic conditions and...
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NbIr 2 B 2 and TaIr 2 B 2 – New Low Symmetry Noncentrosymmetric Superconductors with Strong Spin–Orbit Coupling
PublicationSuperconductivity was first observed more than a century ago, but the search for new superconducting materials remains a challenge. The Cooper pairs in superconductors are ideal embodiments of quantum entanglement. Thus, novel superconductors can be critical for both learning about electronic systems in condensed matter and for possible application in future quantum technologies. Here two previously unreported materials, NbIr2B2...
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Analysis of Reconstituted Tripartite Complex Supports Avidity-based Recruitment of Hsp70 by Substrate Bound J-domain Protein
PublicationHsp70 are ubiquitous, versatile molecular chaperones that cyclically interact with substrate protein(s). The initial step requires synergistic interaction of a substrate and a J-domain protein (JDP) cochaperone, via its J-domain, with Hsp70 to stimulate hydrolysis of its bound ATP. This hydrolysis drives conformational changes in Hsp70 that stabilize substrate binding. However, because of the transient nature of substrate and JDP...
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3-[(E)-2-(5,7-dichloro-8-hydroxyquinolin-2-yl)vinyl]-4-hydroxyphenyl acetate
PublicationTytułowy związek otrzymano w reakcji 2,5 dihydroksybenzaldehydu z równomolową ilością 5,7-dichloro-2-metylochinolin-8-olu. Strukturę C19H13Cl2NO4 wyznaczono metodą rentgenowskiej analizy strukturalnej. Zawarte w komórce elementarnej cząsteczki posiadają konfiguracje E a długości wiązań C=C wynoszą w tym przypadku C10-C11 1.328(3) Å oraz C29-C30 1.330(3) Å. Cząsteczki otrzymanego związku stabilizowane są przez układ...
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Comparison of Single and Multi-Population Evolutionary Algorithm for Path Planning in Navigation Situation
PublicationIn this paper a comparison of single and multi-population evolutionary algorithm is presented. Tested algorithms are used to determine close to optimal ship paths in collision avoidance situation. For this purpose a path planning problem is defined. A specific structure of the individual path and fitness function is presented. Principle of operation of single-population and multi-population evolutionary algorithm is described....
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Efficient Multi-Objective Simulation-Driven Antenna Design Using Co-Kriging
PublicationA methodology for fast multi-objective antenna optimization is presented. Our approach is based on response surface approximation (RSA) modeling and variable-fidelity electromagnetic (EM) simulations. In the design process, a computationally cheap RSA surrogate model constructed from sampled coarse-discretization EM antenna simulations is optimized using a multi-objective evolutionary algorithm. The initially determined Pareto...
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Multi-domain and Context-Aware Recommendations Using Contextual Ontological User Profile
PublicationRecommender Systems (RS) became popular tools in many Web services like Netflix, Amazon, or YouTube, because they help a~user to avoid an information overload problem. One of the types of RS are Context-Aware RS (CARS) which exploit contextual information to provide more adequate recommendations. Cross-Domain RS (CDRS) were created as a response to the data sparsity problem which occurs when only few users can provide reviews or...
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Multi-objective weather routing of sailboats considering wave resistance
PublicationThe article presents a method to determine the route of a sailing vessel with the aid of deterministic algorithms. The method assumes that the area in which the route is to be determined is limited and the basic input data comprise the wind vector and the speed characteristic of the vessel. Compared to previous works of the authors, the present article additionally takes into account the effect of sea waves with the resultant resistance...
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Novel Vision Monitoring Method Based on Multi Light Points for Space-Time Analysis of Overhead Contact Line Displacements
PublicationThe article presents an innovative vision monitoring method of overhead contact line (OCL) displacement, which utilizes a set of LED light points installed along it. A light point is an, LED fed from a battery. Displacements of the LED points, recorded by a camera, are interpreted as a change of OCL shape in time and space. The vision system comprises a camera, properly situated with respect to the OCL, which is capable of capturing...
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Measurement of sub-nanometer molecular layers with ISFET without a reference electrode dependency
PublicationA new method of detection and measurement with sub-nanometer resolution of layers adsorbed or bonded to the ISFET's gate dielectric was presented. The sensitivity of this method is high enough to detect even partial mono-layer covering. The transconductance measurement of the ISFET provides independence of the output signal from pH changes and the driving electrode electrochemical potential instabilities. The stable reference electrode...
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Low-Molecular Pyrazine-Based DNA Binders: Physicochemical and Antimicrobial Properties
PublicationPyrazine and its derivatives are a large group of compounds that exhibit broad biological activity, the changes of which can be easily detected by a substituent effect or a change in the functional group. The present studies combined theoretical research with the density functional theory (DFT) approach (B3LYP/6-311+G**) and experimental (potentiometric and spectrophotometric) analysis for a thorough understanding of the structure...
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On the modelling of anisotropy and destructuration of soft clays within the multi-laminate framework.
PublicationZaproponowano nowy model konstytutywny dla słabonośnych gruntów drobnoziarnistych, w którym anizotropię cech wytrzymałościowych połączono ze zmianami struktury szkieletu gruntowego. Model ten został sformułowany w ramach tzw. modeli wielopłaszczyznowych (multi-laminate) bazujących na teorii sprężysto-plastyczności. Przedstawiono praktyczne zastosowanie modelu do obliczeń nasypu drogowego na podłożu słabonośnym metodą elementów...
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Design Space Reduction for Expedited Multi-Objective Design Optimization of Antennas in Highly-Dimensional Spaces
PublicationA surrogate-based technique for efficient multi-objective antenna optimization is discussed. Our approach exploits response surface approximation (RSA) model constructed from low-fidelity antenna model data (here, obtained through coarse-discretization electromagnetic simulations). The RSA model enables fast determination of the best available trade-offs between conflicting design goals. The cost of RSA model construction for multi-parameter...
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Influence of a lipid bilayer on the conformational behavior of amphotericin B derivatives - A molecular dynamics study.
PublicationAmphotericin B (AmB) is an effective but very toxic antifungal antibiotic. In our laboratory a series of AmB derivatives of improved selectivity of action was synthesized and tested. To understand molecular basis of this improvement, comparative conformational studies of amphotericin B and its two more selectivederivatives were carried out in an aqueous solution and in a lipid membrane. These molecular simulation studies revealed...
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Foundations of Capital Markets Analysis 2022
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E-marketing and trend analysis - 2023
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Business Process Analysis and Optimization 2022
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Business Process Analysis and Optimization 2023
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Methods of quantitative analysis (team project)
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E-marketing and trend analysis - 2022
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Homocitrate synthase gene as a new molecular target in diagnostics of Candida spp. infections
PublicationNew potential molecular target which will be investigated during this research (homocitrate synthase gen) is the innovative target other than ribosomal DNA. This gene encodes enzyme present only in fungi and some Archaea what significantly increases specificity. It also reduces risk of contamination or influence of other factors (reaction with other DNA present in sample derived from bacteria or host cells) what excludes false...
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Diagnostyka procesów [st. niestacjonarne][2018/19]
e-Learning CoursesStudia niestacjonarne II st, semestr 2
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Preferential solvation in (amide+alcohol) binary mixtures. Part 2. The N-methylpyrrolidinone+methanol mixture at T = 313.15 K: thermodynamic resultsand molecular dynamics calculations.
PublicationBadano zjawisko preferencyjnej solwatacji amidu (N-metylopyrrolidonu) przez metanol wykorzystując dwie uzupełniające się metody: bezpośrednich pomiarów własności termodynamicznych roztworu oraz symulacji komputerowych. W metodzie pierwszej dokonano pomiarów wielkości termodynamicznych takich jak: nadmiarowa energia swobodna mieszania, nadmiarowa objętość mieszania oraz współczynnika ściśliwości izotermicznej mieszaniny,...
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The surface of the sensor used in the analysis of odorous substances
Open Research DataHuman industrial activity usually leads to smaller or larger interference with the ecosystem, contributing to changes affecting the quality of life. An example may be the emission of gaseous substances, not necessarily toxic, but due to their intense smell, they can cause discomfort to people exposed to their inhalation. The problem is so important...
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The labor market in industrial cluster analysis
PublicationThe paper offers a description of methodologies used in industrial cluster analysis in conjunction with the labor market analysis. The author explores many tools utilized in cluster identi-fication: quantitative methods (LQ, shift-share), qualitative methods (MSQA) and mixed tools (cluster analysis in conjunction with discriminant analysis, spider diagram, GEM model, ne-twork analysis). Each tool is described in terms of its connection...
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Nuclear Magnetic Resonance data for the synthesis of esterase cleavable antifungal conjugates containing fatty acids as molecular carriers
Open Research DataNMR data for novel organic compounds - conjugates composed of C2-18 fatty acid (FA) residues as a molecular carrier and 5-fluorocytosine (5-FC) as an active agent, released upon the action of intracellular esterases on the ester bond between FA and “trimethyl lock” intramolecular linker.
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Hybrid Multi-Criteria Method of Analyzing the Location of Distributed Renewable Energy Sources
PublicationThis paper presents the development and the application of a hybrid multi-criteria method, the combination of the Analytic Hierarchy Process (AHP), and numerical taxonomy (NT),to support the decision making on the location of distributed renewable energy sources meetingvarious types of assessment criteria. Finding criteria weights, using the AHP method, eliminates thedisadvantage of NT—which, in current form, is defined by its...
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Geometria wykreślna II 2018/19
e-Learning CoursesKurs łączy w sobie elementy kształcenia tradycyjnego z e-nauczaniem. Przeznaczony jest dla studentów kierunku Architektura, sem. 2, studia inżynierskie I stopnia. Tematyka obejmuje zagadnienia inżynierskie w rzucie cechowanym, odwzorowania perspektywiczne oraz zagadnienia dotyczące powierzchni (tworzenie, przekroje, przenikania, modelowanie 3D)
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Molecular dynamics-based model of VEGF-A and its heparin interactions
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Molecular Insight into the Self-Assembly Process of Cellulose Iβ Microfibril
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Interactive information and decision support system for urban and industrial air quality management based on multi-agent system
PublicationThis article presents conception of interactive information and decision support system for urban and industrial air quality management. The emphasis of the project is on real-time analysis and multi-media information, and the support of distributed and mobile clients through the Internet. The approach integrates meteorological data and forecasts, air quality and emission monitoring, dynamic 3D simulation modelling and forecasting,...
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W-dominance: Tradeoff-inspired dominance relation for preference-based evolutionary multi-objective optimization
PublicationThe paper presents a method of incorporating decision maker preferences into multi-objective meta-heuristics. It is based on tradeoffcoefficients and extends their applicability from bi-objective to multi-objective. The method assumes that a decision maker specifies a priori each objective’s importance as a weight interval. Based on this, w-dominance relation is introduced, which extends Pareto dominance. By replacing reference...
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Molecular targets for antifungals in amino acid and protein biosynthetic pathways
PublicationFungi cause death of over 1.5 million people every year, while cutaneous mycoses are among the most common infections in the world. Mycoses vary greatly in severity, there are long-term skin (ringworm), nail or hair infections (tinea capitis), recurrent like vaginal candidiasis or severe, life-threatening systemic, multiorgan infections. In the last few years, increasing importance is attached to the health and economic problems...
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Molecular Dynamics simulations of thermal conductivity of penta-graphene
PublicationThe thermal conductivity of penta-graphene (PG), a new two dimensional carbon allotrope and its dependence on temperature, strain, and direction are studied in this paper. The thermal conductivity of PG is investigated using a non-equilibrium molecular dynamics simulation (NEMD) with the Two Region Method by applying the optimized Tersoff interatomic potential. Our study shows that the thermal conductivity of PG (determined for...
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Molecular aspects of the interaction between amphotericin B and a phospholipid bilayer: molecular dynamics studies.
PublicationAmfoterycyna B jest antybiotykiem z grupy polienów makrolidowych. Stosowany jest on w leczeniu układowych infekcji grzybowych. Wiadomo że związek ten oddziałuje ze składnikami błon lipidowych i tworzy kanały. W przedstawianej pracy prezentowane są wyniki symulacji przeprowadzonej dynamiką molekularną układu składającego się z 200 cząsteczek lipidów DMPC i jednej cząsteczki amfoterycyny ułożonej na powierzchni błony. Z przeprowadzonej...
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Anisotropic mechanical behavior and auxeticity of penta-graphene: Molecular statics/molecular dynamics studies
PublicationWe investigate the mechanical properties of penta-graphene (PG), a recently proposed two-dimensional carbon allotrope using atomistic simulation techniques combined with the empirical description of interatomic interactions. We report on the dependence of its three in-plane mechanical moduli (i.e. Young's modulus, Poisson's ratio and shear modulus) on the deformation direction, strain and temperature. We show that PG displays a...
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Memetic approach for multi-objective overtime planning in software engineering projects
PublicationSoftware projects often suffer from unplanned overtime due to uncertainty and risk incurred due to changing requirement and attempt to meet up with time-to-market of the software product. This causes stress to developers and can result in poor quality. This paper presents a memetic algorithmic approach for solving the overtime-planning problem in software development projects. The problem is formulated as a three-objective optimization...
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Multi-fidelity robust aerodynamic design optimization under mixed uncertainty
PublicationThe objective of this paper is to present a robust optimization algorithm for computationally efficient airfoil design under mixed (inherent and epistemic) uncertainty using a multi-fidelity approach. This algorithm exploits stochastic expansions derived from the Non-Intrusive Polynomial Chaos (NIPC) technique to create surrogate models utilized in the optimization process. A combined NIPC expansion approach is used, where both...
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Jan Franz dr hab.
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The first compound with an unusual type of anion, [Li(SR)2]-:bis(µ2-aqua-d2)tetrakis(aqua-d2)]dilithium(I)bis[bis(tri-tert-butoxysilanethiolato-k2O,S)lithate(I)]dihydrate-d2
PublicationTytułowy związek [Li2(D2O)6][Li(C9H27SSiO3)2]2*2D2O, jest pierwszym związkiem z wiązaniem S-M (M-metal alkaliczny), zawierającym niespotykany typ anionu litanowego: [Li(SR)2]-,gdzie R=Si{OC{CH3)3}3. Centrum symetrii związku znajduję się pośrodku pierścienia Li2O2 wchodzącego w skład kationu. Wszystkie atomy litu budujące rdzenie kationów - LiO4 i anionów - LiO2S2, są czterokoordynacyjne. Jednoujemne aniony [Li(SR)2]- są dobrze...
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Structural Properties and Water Uptake of SrTi1−xFexO3−x/2−δ
PublicationIn this work, Fe-doped strontium titanate SrTi1−xFexO3−x/2−δ, for x = 0–1 (STFx), has been fabricated and studied. The structure and microstructure analysis showed that the Fe amount in SrTi1−xFexO3−x/2−δ has a great influence on the lattice parameter and microstructure, including the porosity and grain size. Oxygen nonstoichiometry studies performed by thermogravimetry at different atmospheres showed that the Fe-rich compositions...
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Invasive micropapillary carcinoma of breast - Male, 64 - Tissue image [6270730022329941]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Invasive micropapillary carcinoma of breast - Male, 64 - Tissue image [6270730022328851]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Invasive micropapillary carcinoma of breast - Male, 64 - Tissue image [6270730022329851]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Invasive micropapillary carcinoma of breast - Male, 64 - Tissue image [6270730022326341]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Invasive micropapillary carcinoma of breast - Male, 64 - Tissue image [6270730022327121]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Invasive micropapillary carcinoma of breast - Male, 64 - Tissue image [6270730022326361]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.