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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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Application of multi-criteria methods to compare different solutions of supplying buildings in electricity from photovoltaic systems
PublicationNowadays, the technologies of electricity generation in distributed systems are usually associated with Renewable Energy Sources (RES). The choice of the construction site depends mainly on the availability of the power system. However, energy planning, especially in case of RES, is a complex process involving multiple and often conflicting objectives. The complexity of the selection of the electricity system is typically addressed...
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The Experiences of People with Dementia and Informal Carers Related to the Closure of Social and Medical Services in Poland during the COVID-19 Pandemic—A Qualitative Study
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Are We Facing a Tsunami of Vaccine Hesitancy or Outdated Pandemic Policy in Times of Omicron? Analyzing Changes of COVID-19 Vaccination Trends in Poland
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Response to Letter to the Editors regarding article entitled ‘Sex-related patient-reported brain fog symptoms in nonhospitalised COVID-19 patients’
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ortho-Fluorobenzanilides and ortho-fluorothiobenzanilides: Molecular conformations and crystal packing
PublicationSeries of 2-fluoro and 2,6-difluorobenzanilides and their thiobenzanilide analogs have been synthesized to investigate the influence of the fluorine atom on their crystal structures and self-assembly in the crystal lattice. The X-ray analysis of the single crystal revealed that the synthesized molecules adopt a geometry being deflected from planarity. The deflection was investigated by analysis of dihedral angles between mean planes...
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Interatomic potential suitable for the modeling of penta-graphene: Molecular statics/molecular dynamics studies
PublicationWe test the potentials available for elemental carbon, with the scope to choose the potential suitable for the modeling of penta-graphene, the latest two dimensional carbon allotrope. By using molecular statics and molecular dynamics simulations we show that there is only one potential e namely the Tersoff-type potential proposed by Erhart and Albe in 2005 e which is able to correctly describe all the important features of penta-graphene....
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Jacek Tejchman prof. dr hab. inż.
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Effect of heat treatment on the diffusion intermixing and structure of the Cu thin film on Si (111) substrate: a molecular dynamics simulation study
PublicationThis work is devoted to the study of the diffusion process at the interface between copper films with a thickness of 2, 3, 4, 7 and 10 atomic monolayers and silicon substrate by molecular dynamics simulation method. For this purpose, the variation of the concentration of copper and silicon along the perpendicular direction to the interface was investigated. An analysis of the density profile along this direction made it possible...
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EM-Driven Multi-Objective Optimization of Antenna Structures in Multi-Dimensional Design Spaces
PublicationFeasible multi-objective optimization of antenna structures is presented. An initial set of Pareto optimal solutions is found using a multi-objective evolutionary algorithm (MOEA) working with a fast surrogate antenna model obtained by kriging interpolation of coarse-discretization EM simulation data. To make the surrogate construction computationally feasible in multi-dimensional design space, the space subset containing non-dominated...
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Expedited Machine-Learning-Based Global Design Optimization of Antenna Systems Using Response Features and Multi-Fidelity EM Analysis
PublicationThe design of antenna systems poses a significant challenge due to stringent per-formance requirements dictated by contemporary applications and the high com-putational costs associated with models, particularly full-wave electromagnetic (EM) analysis. Presently, EM simulation plays a crucial role in all design phases, encompassing topology development, parametric studies, and the final adjustment of antenna dimensions. The latter...
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Molecular dynamics simulations of the growth of poly (chloro-para-xylylene) films.
PublicationParylene C, poly(chloro-para-xylylene) is the most widely used member of the parylene family due to its excellent chemical and physical properties. In this work we analyzed the formation of the parylene C film using molecular mechanics and molecular dynamics methods. A five unit chain is necessary to create a stable hydrophobic cluster and to adhere to a covered surface. Two scenarios were deemed to take place. The obtained results...
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Multi agent grid systems
PublicationThis chapter presents an idea of merging grid and volunteer systemswith multi agent systems. It gives some basics concerning multi agentsystem and the most followed standard. Some deliberations concerningsuch an existing systems were made in order to finally present possibilities of introducing agents into the Comcute system.
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Data Analysis 2023/24
e-Learning CoursesData Analysisdr inż. Karol Flisikowski, prof. PG - winter semester 2023/24
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Flow boiling of R1233zd(E) in a 3 mm vertical tube at moderate and high reduced pressures
PublicationThe results of flow boiling of R1233zd(E) in a 3 mm vertical stainless steel tube are presented at moderate and high saturation temperatures. Integral flow characteristics in the form of pressure drop and heat transfer coefficient are discussed for saturation temperatures ranging from 115 to 145 °C (corresponding reduced pressures from 0.2 to 0.7), mass velocity of 800 kg/m2s and heat flux of 20 kW/m2. All of the obtained heat...
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Sequence variants of p21 gene of the MRL/MpJ mouse: a possible association with the deficit of p21 protein and regenerative phenotype.
PublicationThe MRL/MpJ mouse is known for its enhanced regeneration abilities that manifested themselves by scarless ear-hole wound closure. The deficit of p21 found in the MRL is associated with the regenerative capacity as the p21 gene knockout in a mouse strain unrelated to the MRL mouse results in an ear-hole closure effect, similar to that observed in the MRL mouse. Cdkn1a gene encodes p21 protein, a cyclin-dependent kinase inhibitor,...
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Molecular dynamics studies of polyurethane nanocomposite hydrogels
PublicationPolyurethane PEO-based hydrogels have a broad range of biomedical applicability. They are attractive for drug-controlled delivery systems, surgical implants and wound healing dressings. In this study, a PEO based polyurethane hydrogels containing Cloisite R 30B, an organically modified clay mineral, was synthesized. Structure of nanocomposite hydrogels was determined using XRD technique. Its molecular dynamics was studied by means...
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Mechanical durability and electroanalytical performance of 3D-printed multi-material sensors
Open Research DataThe data set consists tensile strength, electric resistance, electrochemical characteristics and physicochemical studies of multi-material 3D printed systems, including their sensing performance during detection of antibiotics in an industrial sewage. Additionally, contact angle measurements and SEM micrographs of the electrode surfaces were included.
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COMPARATIVE ANALYSIS OF RESULTS OF APPLICATION OF MARKOV AND SEMI-MARKOV PROCESSES TO RELIABILITY MODELS OF MULTI-STATE TECHNICAL OBJECTS
PublicationDuring rational operation of technical objects and systems various operational decisions are made and decision-making process itself should be consisted in selecting that considered most favourable out of all possible to be taken. Choice of such decision is possible after taking into account many different information items but it never be completely correct without accounting for data and indices dealing with reliability. In...
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Analysis of graphene multi-strip planar guiding structures with the use of spectral domain approach
PublicationSpectral domain approach is modified and used to analyze some simple structures containing graphene strips. The modification is simple and concerns the Green’s function only. Moreover, the method is combined with the recently published root finding algorithms, which significantly improve the efficiency of the analysis. The results obtained for a simple guiding structure is verified and the field displacement effect is confirmed.
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Products of Photo- and Thermochemical Rearrangement of 19-Membered di-tert-Butyl-Azoxybenzocrown
PublicationThe preparation and characterization of products of the photochemical and thermochemical rearrangements of 19-membered azoxybenzocrowns with two, bulky, tert-butyl substituents in benzene rings in the para positions to oligooxyethylene fragments (meta positions to azoxy group, i.e., t-Bu-19-Azo-O have been presented. In photochemical rearrangement, two colored typical products were expected, i.e., 19-membered o-hydroxy-m,m′-di-tert-butyl-azobenzocrown...
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Low-Cost Multi-Objective Optimization Yagi-Uda Antenna in Multi-Dimensional Parameter Space
PublicationA surrogate-based technique for fast multi-objective optimization of a multi-parameter planar Yagi-Uda antenna structure is presented. The proposed method utilizes response surface approximation (RSA) models constructed using training samples obtained from evaluation of the low-fidelity antenna model. Utilization of the RSA models allowsfor fast determination of the best possible trade-offs between conflicting objectives in multi-objective...
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Docking is not enough: 17-trifluoromethylphenyl trinor PGF2α is only a very weak ligand of neurokinin-1 receptor
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Experimental ORC micro-power plant for CHP application Part B: Radial and Multi-stage axial turbines
PublicationThe co-generative micro-power plant with the HFE7100 applied as a working medium was designed and built for experimental investigations. Special attention is paid to a micro-turbine which was built and tested in two variants: a radial turbine and an axial turbine. A concept of a radial turbine with 2 centripetal and 2 centrifugal stages is shown. This prototype was equipped with an aerostatic gas bearing and, alternatively, with...
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KM Challenges in Small KIBS Companies: Multi-case Analysis in Two Countries
PublicationKnowledge Intensive Business Services (KIBS) – i.e. companies like e.g. computer services, consulting, engineering, business communication, and R&D support - are key players in the modern economies. They stimulate the innovativeness of businesses and societies. Their competitiveness is based on knowledge, which is their key production factor and also the kind of “goods” they sell. The large majority of KIBS companies have a small...
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ANALYSIS OF WORKING CONDITIONS OF BEARINGS NO.1 & NO.2 OF TURBINE 13K200 AND DESIGN DEVELOPMENT OF NEW BEARINGS FOR THE TURBINE AFTER RETROFITTING
PublicationThe main goal of the work consisted of preparing an analysis of working conditions of bearings No.1 and No.2 in the existing turbine 13K200, as well as designing geometries of new bearings which would allow for their proper functioning in the turbine following its retrofitting (work under higher load).
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Finite-element analysis of a base-isolated multi-storey steel building under seismic motions
PublicationNumerical simulation of the seismic behaviour of a multi-storey steel building, both fixed-base and base-isolated, under the 1940 El Centro earthquake was performed in this paper. The analyzed 4-storey building was decoupled from the shaking ground with the Polymeric Bearings, which can be considered a proposal of a new seismic isolation system. It consists of rectangular-shaped blocks made of a specially prepared flexible polymeric...
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A compact spline-enhanced monopole antenna for broadband/multi-band and beyond UWB applications
PublicationIn this work, a compact monopole antenna for broadband/multi-band and beyond ultra- wideband (UWB) communication has been proposed. The structure is based on a spline-enhanced radiator with a broadband feed and a modified ground plane. Rigorous design optimization of the radiator has been performed in a two-stage framework where optimization of the structure with respect to electrical performance is followed by explicit miniaturization...
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Antimicrobial molecular nanocarrier–drug conjugates
PublicationMany antimicrobial drugs are poorly active against pathogenic microbes causing intracellular infections, such as Mycobacterium tuberculosis or Plasmodium falciparum. On the other hand, several known antimicrobial agents are not effective enough because of their limited cellular penetration. A common feature of both challenges is the inability of an active agent to cross the biological membrane(s). One of the possible approaches...
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Synthesis, structure characterization and thermal propertiesof [Zr<sub>6</sub>(μ<sub>3</sub>-O)<sub>4</sub>(μ<sub>3</sub>-OH)<sub>4</sub>(OOCCH<sub>2</sub><sup>t</sup>Bu)<sub>9</sub>(μ<sub>2</sub>-OH)<sub>3</sub>]<sub>2</sub>
PublicationTytułowy związek otrzymano w reakcji Zr(OiPr)4 z nadmiarem kwasu 3,3-dimetylobutyrowego. Rentgenowska analiza strukturalna została wykonana w temperaturze 103 i 153K. Struktury zawierają dimery podjednostek o wzorze: [Zr6(μ3-O)4(μ3-OH)4-(OOCCH2tBu)9] połączonych 6 mostkującymi grupami μ2-OH. Analiza zmiennotemperaturowych...
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Measurements of Subnanometer Molecular Layers
PublicationSelected methods of formation and detection of nanometer and subnanometer molecular layers were shown. Additionally, a new method of detection and measurement with subnanometer resolution of layers adsorbed or bonded to the gate dielectric of the ion selective field effect transistor (ISFET) was presented.
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Numerical analysis of test embankment on soft ground using multi-laminate type model with destructuration
PublicationW artykule przedstawiono model wielopłaszczyznowy (multi-laminate) uwzględniający anizotropię struktury słabonośnych gruntów drobnoziarnistych. Anizotropia indukowana naprężeniem, która otrzymuje się przy zastosowaniu modeli wielopłaszczyznowych, jest dodatkowo wzmocniona poprzez wprowadzenie prekonsolidacji zależnej od orientacji przestrzennej. Model przedstawiono w wersji sprężysto-plastycznej, w której możliwa jest symulacja...
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Thermal analysis of manganese(II) complexes of general formula(Et4N)2[MnBrnCl4−n]
PublicationBadano termiczną dekompozycję związków zawierających aniony [MnBrnCl4−n]2− (n = 0-4) i kation tetraetylammonium. Wykorzystywano metody DSC i TG. Badania prowadzono w atmosferze argonu w temperaturze 173-500K (DSC)i 300-1073K (TG). Produkty dekompozycji określono za pomocą MS, FTIR, Far-FTIR i dyfraktometrii rentgenowskiej.
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Psychological burden and disease-related quality of life in dialysis patients during the first wave of the COVID-19 pandemic — a cross-sectional observational study
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E-Learning as a Factor Optimizing the Amount of Work Time Devoted to Preparing an Exam for Medical Program Students during the COVID-19 Epidemic Situation
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A label-free graphene-based impedimetric biosensor for real-time tracing of the cytokine storm in blood serum; suitable for screening COVID-19 patients
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Editorial: Coronavirus disease (COVID-19): Socio-economic systems in the post-pandemic world: Design thinking, strategic planning, management, and public policy
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Clinical Course and Severity of COVID-19 in 940 Infants with and without Comorbidities Hospitalized in 2020 and 2021: The Results of the National Multicenter Database SARSTer-PED
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Pediatric Inflammatory Multisystem Syndrome (PIMS) Did Occur in Poland during Months with Low COVID-19 Prevalence, Preliminary Results of a Nationwide Register
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30-Day Morbidity and Mortality of Bariatric Surgery During the COVID-19 Pandemic: a Multinational Cohort Study of 7704 Patients from 42 Countries
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Multi-instrument analysis of L-band amplitude scintillation observed over the Eastern Arabian Peninsula
PublicationThe study of scintillation-causing ionospheric irregularities is important to mitigate their effects on satellite communications. It is also important due to the spatial and temporal variability of these irregularities, given that their characteristics differ from one region to another. This study investigates the spatial and temporal characteristics of L1 amplitude scintillation-causing ionospheric irregularities over the Eastern...
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Molecular aspects of biogenesis of Escherichia coli Dr Fimbriae: characterization of DraB-DraE complexes
PublicationHemaglutynina Dr uropatogennych szczepów Escherichia coli jest fimbrialnym homopolimerem zbudowanym z podjednostek białkowych DraE kodowanych przez operon dra. Operon dra zawiera geny draB i draC, kodujące białka homologiczne do białek (białko opiekuńcze-białko kanałotwórcze) zaangażowanych w procesie biogenezy struktur polimerycznych eksprymowanych powierzchniowo. Białko DraB jest jednym z białek periplazmatycznych, należącym...
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The FMO analysis of the molecular interaction of fentanyl derivatives with the μ-opioid receptor
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On the possibility of molecular recognition of taste substances studied by Gabor analysis of oscillations
PublicationBadano wpływ substancji odpowiedzialnych za wrażenia smakowe należące do czterech klas smaku (słodki, słony, gorzki i kwaśny) na charakterystyki oscylacyjne w nitrometanowym oscylatorze zawierającym kationowy surfaktant: chlorek benzylodimetylotetradecyloamoniowy. Zapropnowano nowe podejście oparte o transformację Gabora za pomocą której otrzymano widma mocy dla posczególnych układów. Wykazano, że dwuwymiarowa forma tych widm może...
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Analysis of molecular structure of starch citrate obtained by a well-stablished method
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Macroeconomic analysis
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Market analysis
e-Learning CoursesKurs przeznaczony dla studentów studiów stacjonarnych Inżynierii Danych, I stopnia, semestr 7 (zimowy) w roku akademickim 2021/2022.
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Financial Analysis
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Decision analysis
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Thermal analysis of manganese(II) complexes of general formula (Bu4N)2[MnBrnCl4−n]
PublicationBadano termiczną dekompozycję związków zawierających aniony tetrahalogenomanganese(II), [MnBrnCl4−n]2−(n = 0-4) i kationy tetrabutylammonium. Stosowane metody to: DSC, TG-FTIR, TG-MS i DTA. Pomiary prowadzono w argonie i powietrzu w zakresie temperatur 173-450K (DSC) i 300-1073K (TG). Stałe produkty dekompozycji identyfikowano metodami spektroskopii FT-FIR i dyfraktometrii rentgenowskiej.
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Common variants of DNA repair genes and malignant melanoma
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