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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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Minimal 2-dominating sets in Trees
PublicationWe provide an algorithm for listing all minimal 2-dominating sets of a tree of order n in time O(1.3247^n). This leads to that every tree has at most 1.3247^n minimal 2-dominating sets. We also show that thisbound is tight.
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Synthetic strategies in construction of organic low molecular-weight carrier-drug conjugates
PublicationInefficient transportation of polar metabolic inhibitors through cell membranes of eukaryotic and prokaryotic cells precludes their direct use as drug candidates in chemotherapy. One of the possible solutions to this problem is application of the ‘Trojan horse’ strategy, i.e. conjugation of an active substance with a molecular carrier of organic or inorganic nature, facilitating membrane penetration. In this work, the synthetic...
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Bio‐polyols synthesized by liquefaction of cellulose: Influence of liquefaction solvent molecular weight
PublicationCurrently, the plastics industry including polyurethanes is based on the use of petrochemicals. For this reason, scientists are looking for new types of renewable resources for the substitution of petrochemical substances. This work aims to evaluate the effect of polyethylene glycols (PEG) with different molecular mass impact on properties of bio-based polyols synthesized via biomass liquefaction of cellulose. To date, research...
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Robert Jankowski prof. dr hab. inż.
PeopleHe was born on December 26, 1968 in Gdynia. A graduate of the High School at the Consulate of Poland in Benghazi, Libya (1987), a student at the Gdańsk University of Technology (MSc studies, 1987-1991 and 1992-1993), University of Sheffield, England (BSc studies, 1991-1992), University of Roskilde, Denmark (MSc course, 1993) and University of Tokyo, Japan (PhD studies, 1994-1997). From the beginning of his professional career associated...
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Sławomir Milewski prof. dr hab. inż.
PeopleSławomir Milewski, born in 1955 in Puck, Poland, graduated in 1979 in Chemistry from the Faculty of Chemistry, Gdańsk University of Technology (GUT). In 1984 was employed at the Department of Pharmaceutical Technology and Biochemistry. In 1985 he got his PhD, in 1994 became a DSc (habilitation) and in 2002 got the professorship in chemical sciences. Currently he is a full professor and Head of the Department of Pharmaceutical Technology...
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Molecular Biology of Meniscal Healing: A Narrative Review
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WM - IMM gr. 2 - Matematyka II 2018/19 (M.Kula)
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WILiŚ - Bud. sem.2 - Liczby zespolone 2018/19 (J.Dymkowska)
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WOiO - Oce sem.2 - Liczby zespolone 2018/19 (C.Mrozicki)
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WILiŚ - IŚ sem.2 - Liczby zespolone 2018/19 (C.Mrozicki)
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Control of induction machine supplied by a current source inverter using the multi-scalar transformation and backstepping approach
PublicationThe paper describes the voltage control technique of squire-cage induction machines supplied by a current source inverter. The control system is based on new transformation of the electric drive system (machine and inverter) state variables to the multi-scalar variables form. The backstepping approach is used to obtain the feedback control law. The control system contains the structure of the observer...
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TaRh 2 B 2 and NbRh 2 B 2 : Superconductors with a chiral noncentrosymmetric crystal structure
PublicationIt is a fundamental truth in solid compounds that the physical properties follow the symmetry of the crystal structure. Nowhere is the effect of symmetry more pronounced than in the electronic and magnetic properties of materials—even the projection of the bulk crystal symmetry onto different crystal faces is known to have a substantial impact on the surface electronic states. The effect of bulk crystal symmetry on the properties...
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Design of mm-wave MIC frequency multiplayers and mixers using simple microstrip high-pass filters
PublicationPrzedyskutowano podstawowe wymagania dotyczące impedancji elementów półprzewodnikowych wykorzystywanych w mieszaczach i powielaczach częstotliwości projektowanych dla zakresu fal milimetrowych. Określono typy układów filtrujących niezbędnych w różnych częściach układów, podkreślając znaczenie filtrów górnoprzepustowych. Mikropaskowy filtr ze zwartym brzegiem został wykonany i zaimplementowany w mieszaczu pracującym w zakresie 20-40GHz.
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The Landscape of the Spa Parks Creation through Components Influencing Environmental Perception Using Multi-Criteria Analysis
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Long range molecular dynamics study of regulation of eukaryotic glucosamine-6-phosphate synthase activity by UDP-GlcNAc
PublicationGlucosamine-6-phosphate (GlcN-6-P) synthase catalyses the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5' diphospho N-acetyl-D-glucosamine (UDPGlcNAc), is an essential substrate for assembly of bacterialand fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which makes it a potential target...
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Redox State Sensitive Spectroscopy of the Model Compound [(H-dcbpy)(2)Ru-II(NCS)(2)](2-) (dcbpy=2,2 '-Bipyridine-4,4 '-dicarboxylato)
PublicationThe charge transfer reaction mechanism in a ruthenium polypyridine model complex with isothiocyanato ligands, i.e., [(H-dcbpy)(2)Ru(NCS)(2)](2-) 2Bu(4)N(+) (Ru2H) (dcbpy = 2,2'-bipyridine-4,4'-dicarboxylato), has been investigated by combining UV-vis absorption, resonance Raman spectroscopy, and electrochemical methods. Understanding the photophysics of light-harvesting complexes of this class is an indispensable prerequisite to...
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Multi-fidelity EM simulations and constrained surrogate modelling for low-cost multi-objective design optimisation of antennas
PublicationIn this study, a technique for low-cost multi-objective design optimisation of antenna structures has been proposed. The proposed approach is an enhancement of a recently reported surrogate-assisted technique exploiting variable-fidelity electromagnetic (EM) simulations and auxiliary kriging interpolation surrogate, the latter utilised to produce the initial approximation of the Pareto set. A bottleneck of the procedure for higher-dimensional...
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Multi-Transformer Flyback Converter for Supplying Isolated IGBT and MOSFET Drivers
PublicationA multi transformer flyback converter topology for supplying transistor drivers is presented. The topology presents some advantages over typical multi output single transformer, as reduction of effective leakage inductance, equal magnetic coupling between primary and secondary circuits and better isolation between outputs. Simulation study carried out in the LTSpice IV program and preliminary experimental results indicate high...
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Drug transporter expression profiling in chemoresistant variants of the A2780 ovarian cancer cell line
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DNA variants in Helicobacter pylori infected patients with chronic gastritis, dysplasia and gastric cancer
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DNA Variants in Helicobacter Pylori Infected Patients with Chronic Gastritis, Dysplasia and Gastric Cancer
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Association between Age at Diagnosis of Graves' Disease and Variants in Genes Involved in Immune Response
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Syntheses and structures of the first terminal phosphanylphosphido complex of hafnium [cp2hf(cl){η1-(me3si)p-p(net2)2}] and the firstzirconocene-phosphanylphosphinidene dimer [cp2zr{μ2-p-p(net2)2}2zrcp2]
PublicationReactions of (Et2N)2P-P(SiMe3)Li with [Cp2MCl2] (M= Zr, Hf) in toluene or pentane yield the related terminal phosphanylphosphido complexes [Cp2M(Cl){η1-(Me3Si)P-P(NEt2)2}]. The solid statestructure of [Cp2Hf(Cl){η1-(Me3Si)P-P(NEt2)2}] was established by single crystal X-ray diffraction. The reaction of (Et2N)2P-P(SiMe3)Li with [Cp2ZrCl2] in THF or DME solutions leads to the formationof deep red crystals of the first neutral diamagnetic...
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Structural Insights into Autoreactive Determinants in Thyroid Peroxidase Composed of Discontinuous and Multiple Key Contact Amino Acid Residues Contributing to Epitopes Recognized by Patients’ Autoantibodies
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Electron-impact dissociation of molecular hydrogen: benchmark cross sections
PublicationWe present a joint experimental and theoretical investigation of a fundamental process in atomic and molecular physics: electron impact excitation of molecular hydrogen’s (H2) most dominant transition (X1Σg+ → b3Σu+). Excitation of this state is by far the main channel that causes the dissociation of H2 into H + H atoms at low energies. The Convergent Close-Coupling (CCC) calculations predicted significant, more than factor of...
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Multi-objective design of miniaturized impedance transformers by domain segmentation
PublicationFast multi-objective design optimization of compact microstrip impedance transformers is discussed. Our approach exploits approximation models constructed using sampled coarse- mesh EM simulation data in a partitioned design space and response correction techniques for design refinement. Demonstra
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Aktualne Problemy w Elektroenergetyce” – APE’19
EventsWydział Elektrotechniki i Automatyki Politechniki Gdańskiej, Katedra Elektroenergetyki zaprasza do udziału w XIX Konferencji Naukowej „Aktualne Problemy w Elektroenergetyce” – APE’19
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Low-cost multi-objective design of compact microwave structures using domain patching
PublicationA good compromise between size and electrical performance is an important design consideration for compact microwave structures. Comprehensive information about size/performance trade-offs can be obtained through multi-objective optimization. Due to considerable electromagnetic (EM) cross-couplings in highly compressed layouts, the design process has to be conducted at the level of high-fidelity EM analysis which is computationally...
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Multi-criterion decision making in distributed systems by quantum evolutionary algorithms
PublicationDecision making by the AQMEA (Adaptive Quantum-based Multi-criterion Evolutionary Algorithm) has been considered for distributed computer systems. AQMEA has been extended by a chromosome representation with the registry of the smallest units of quantum information. Evolutionary computing with Q-bit chromosomes has been proofed to characterize by the enhanced population diversity than other representations, since individuals represent...
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Functional and spatial structure analysis – Gdańsk-Lower City (Dolne Miasto) 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, Gdańsk-Lower City (Dolne Miasto) 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 Gdańsk-Lower City (Dolne Miasto) district...
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Synthesis and structural characterization of novel 2-benzimidazolylthioureas: adducts of natural isothiocyanatesand 2-amino-1-methylbenzimidazole
PublicationNa drodze syntezy chemicznej uzyskano addukty naturalnych izotiocyjanianów - alilu, benzylu i fenyloetylu i 2-amino-1-metylobenzoimidazolu. W następstwie optymalizacji warunków reakcji, poszczególne 2-benzimidazolilotiomoczniki otrzymano produkty z umiarkowanymi wydajnościami. Strukturę molekularną i krystaliczną produktów scharakteryzowano przy użyciu metod spektroskopowych i X-ray. Analiza uzyskanych widm pozwoliła stwierdzić,...
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Molecular identification and genotyping of Staphylococci: genus, species, strains, colnes, lineages, and interspecies exchanges
PublicationStaphylococci are increasingly recognized as etiological agents of many opportunistic human and animal infections, emphasizing the need for a rapid and accurate identification, even to a genotypical level of these bacteria. In the recent years, there has been a significant progress in typing and phylogenetic study of Staphylococcus species. Here, we describe molecular methods used in taxonomy as well as staphylococci characterization....
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From Scores to Predictions in Multi-Label Classification: Neural Thresholding Strategies
PublicationIn this paper, we propose a novel approach for obtaining predictions from per-class scores to improve the accuracy of multi-label classification systems. In a multi-label classification task, the expected output is a set of predicted labels per each testing sample. Typically, these predictions are calculated by implicit or explicit thresholding of per-class real-valued scores: classes with scores exceeding a given threshold value...
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Molecular hydrogen solvated in water – A computational study
PublicationThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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A multi-criteria decision model for the introduction of electric storage multiple units on the partially electrified Gdynia-Hel railway
Publication: In this article a multi-criteria study of the use of independently powered electric multiple units on the partially electrified Gdynia Główna - Hel line was carried out. The use of (currently used) diesel and, as an alternative, electric and electric multiple units with an electric energy storage was considered. The analysis was carried out on the basis of three criteria for assessing the route service options, i.e. environmental,...
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Enhancement of lift and drag performances of a NACA0012 airfoil by multi-DBD plasma actuator with additional floating interelectrodes
PublicationIt is clear that the improvement of aircraft aerodynamic performances is currently and will continue to be a significant area of research for the aeronautical industry. The current study is focused on theenhancement of aerodynamic airfoil performances by using a multi-DBD plasma actuator mounted around the model leading-edge. Experiments have been conducted at the University of Orleans, in the 2 m x 2 m test section of a large...
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Pyrolysis of poly(2-propylheptyl acrylate)
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Piotr Paradowski dr
PeopleDr Piotr Paradowski's areas of expertise in quantitative social science methods include truncated and censored models, quantile regressions, survival analysis, panel data models, discrete regressions and qualitative choice models, instrumental variable estimation, and hierarchical modeling. He is also an expert in statistical matching and statistical methods to handle missing data. In addition, he conducts research on income and...
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Foundations of Capital Market Analysis
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Foundations of Capital Market Analysis
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Structural and dynamic changes adopted by EmrE, multidrug transporter protein—Studies by molecular dynamics simulation
PublicationEmrE protein transports positively charged aromatic drugs (xenobiotics) in exchange for two protons and thus provides bacteria resistance to variety of drugs. In order to understand how this protein may recognize ligands, the monomer and asymmetric apo-form of the EmrE dimer embedded in a heterogeneous phospholipid (POPE + POPG) membrane were studied by molecular dynamics simulations. Dimer is regarded as a functional form of the...
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Topochemical, Single‐Crystal‐to‐Single‐Crystal [2+2] Photocycloadditions Driven by Chalcogen‐Bonding Interactions
PublicationThe face-to-face association of (E)-1,2-di(4-pyridyl)ethylene (bpen) molecules into rectangular motifs stabilized for the first time by chalcogen bonding (ChB) interactions is shown to provide photoreactive systems leading to cyclobutane formation through single-crystal-to-single-crystal [2+2] photodimerizations. The chelating chalcogen bond donors are based on original aromatic, ortho-substituted bis(selenocyanato)benzene derivatives...
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Elgold: gold standard, multi-genre dataset for named entity recognition and linking
Open Research DataThe dataset contains 276 multi-genre texts with marked named entities, which are linked to corresponding Wikipedia articles if available. Each entity was manually verified by at least three people, which makes the dataset a high-quality gold standard for the evaluation of named entity recognition and linking algorithms.
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Mechanical Properties of Twisted Carbon Nanotube Bundles with Carbon Linkers from Molecular Dynamics Simulations
PublicationThe manufacturing of high-modulus, high-strength fibers is of paramount importance for real-world, high-end applications. In this respect, carbon nanotubes represent the ideal candidates for realizing such fibers. However, their remarkable mechanical performance is difficult to bring up to the macroscale, due to the low load transfer within the fiber. A strategy to increase such load transfer is the introduction of chemical linkers...
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Molecular dynamics of fentanyl bound to μ-opioid receptor
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Phylogenetic trees of genus Oncidium Sw. based on analysis of DNA sequences
Open Research DataGenus Oncidium Sw. is widely regarded as a polyphiletic, and the taxonomic boundaries between him and such genera as Odontoglossum Kunth. or Miltonia Lindley remain blurred. The goal of the study was to determine the phylogenetic relationships within the genus Oncidium s.lato based on the DNA sequences analysis. The correlation between molecular data...
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Human sperm proteins identified by 2-dimensional electrophoresis and mass spectrometry and their relevance to a transcriptomic analysis
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SYNAT Music Genre Parameters PCA 19
Open Research DataThe dataset contains feature vector after Principal Component Analysis (PCA) performing, so there are 11 music genres and 19-element vector derived from music excerpts. Originally, a feature vector containing 173 elements was conceived in earlier research studies carried out by the team of authors [1-6]. A collection of 52532 music excerpts described...
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The new investing effectiveness evaluation multi-criteria method in modern supply systems
PublicationThe important problem in the processes of modelling and programming the development of sustainable energy sector is the multi-criteria manner of assessing the effectiveness of investments. The goal of this paper is to show how to take into account the impact of investments in multidimensional modelling decision-making processes. This goal can be achieved through the development, presentation, and use of a new multi-criteria method...
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An application of multi-agent system for ship’s power systems design
PublicationDesign process of transport ship power system consists of structure (topology) and component elements selection. Compliance with the requirements for static components does not guarantee optimal dynamic characteristics of entire power system. Design steps are difficult to formalize and as a consequence to this reason expert and multi-agent systems are used for solving selected design issues. In the paper distributed multi-agent...