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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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Granulometric analysis to etimate influence of anionic surfactrant on activated sludge structure
PublicationThe work concerns the evaluation of the possibility of using laser diffraction analyzer to determine changes in the distribution of sludge floc size in the presence of anionic surfactant. As a model of surfactant linear alkylbenzyne sulphonate (LAS) was used. The granulometric analysis showed that the pure activated sludge was composed of particles with a size of 0,001 to 2 mm. The largest and fastest changes in the distribution...
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Application of multi-criteria method to assess the usefulness of a hydrotechnical object for floating housing
PublicationThis publication presents the analysis of three hydrotechnical objects located in the Municipality of Gdańsk with a view of mooring Floating Houses. The assessment of the adaptation of a hydrotechnical object has been carried out by a multi- criteria method AHP and using the main criteria such as: mooring system, communication with the mainland, availability of the utility networks, waste disposal and location of the parking spaces....
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Multi-Temporal Analysis of Changes of the Southern Part of the Baltic Sea Coast Using Aerial Remote Sensing Data
PublicationUnderstanding processes that affect changes in the coastal zone and the ability to predict these processes in the future depends on the period for which detailed monitoring is carried out and on the type of coast. This paper analyzes a southern fragment of the Baltic coast (30 km), where there has been no anthropogenic impact (Slowinski National Park). The study was carried out covering a time interval of 65 years. Historic and...
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Variants and Modifications of the Retroauricular Approach Using in Temporomandibular Joint Surgery: A Systematic Review
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Multi-headed chimera states in coupled pendula
PublicationWe discuss the occurrence of the chimera states in the network of coupled, excited by the clock’s mechanisms pendula. We find the patterns of multi-headed chimera states in which pendula clustered in different heads behave differently (oscillate with different frequencies) and create different types of synchronous states (complete or phase synchronization). The mathematical model of the network shows that the observed chimera states...
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Changes of Conformation in Albumin with Temperature by Molecular Dynamics Simulations
PublicationThis work presents the analysis of the conformation of albumin in the temperature range of 300K – 312K, i.e., in the physiological range. Using molecular dynamics simulations, we calculate values of the backbone and dihedral angles for this molecule. We analyze the global dynamic properties of albumin treated as a chain. In this range of temperature, we study parameters of the molecule and the conformational entropy derived from...
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An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations
PublicationAn important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with ZnII, that is not likely to be active in redox pathways, minimizing further complications. The complex is monomeric, tetrahedral, with one HCur, an acetate and a molecule...
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Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
PublicationFibroin–chitosan composites, especially those containing nanohydroxyapatite, show potential for bone tissue regeneration. The physicochemical properties of these biocomposites depend on the compatibility between their components. In this study, the intermolecular interactions of fibroin and chitosan were analyzed using a molecular dynamics approach. Two types of systems were investigated: one containing acetic acid and the other...
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Novel 5-Substituted 2-(Aylmethylthio)-4-chloro-N-(5-aryl-1,2,4-triazin-3-yl)benzenesulfonamides: Synthesis, Molecular Structure, Anticancer Activity, Apoptosis-Inducing Activity and Metabolic Stability
PublicationA series of novel 5-substituted 2-(arylmethylthio)-4-chloro-N-(5-aryl-1,2,4-triazin-3-yl) benzenesulfonamide derivatives 27–60 have been synthesized by the reaction of aminoguanidines with an appropriate phenylglyoxal hydrate in glacial acetic acid. A majority of the compounds showed cytotoxic activity toward the human cancer cell lines HCT-116, HeLa and MCF-7, with IC50 values below 100 M. It was found that for the analogues 36–38...
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Example of tension fabric structure analysis
PublicationThe aim of the work is to examine two variants of non-linear strain-stress relations accepted to description of architectural fabric. Discussion on the fundamental equations of the dense net model, used in description of coated woven fabric behaviour is presented. An analysis of tensile fabric structures subjected to the dead load and initial pretension is described.
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DESIGN ANALYSIS OF HYBRID GAS TURBINE - FUEL CELL POWER PLANT IN STATIONARY AND MARINE APPLICATIONS
PublicationThe paper concerns design analysis of a hybrid gas turbine power plant with a fuel cell (stack). The aim of this work was to find the most favorable variant of the medium capacity (approximately 50 MW) hybrid system. In the article, computational analysis of two variants of such a system was carried out. The analysis let to calculate capacity, efficiency of both variants and other parameters like flu gas temperature. The paper...
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Accelerated multi-objective design optimization of antennas by surrogate modeling and domain segmentation
PublicationMulti-objective optimization yields indispensable information about the best possible design trade-offs of an antenna structure, yet it is challenging if full-wave electromagnetic (EM) analysis is utilized for performance evaluation. The latter is a necessity for majority of contemporary antennas as it is the only way of achieving acceptable modeling accuracy. In this paper, a procedure for accelerated multi-objective design of...
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2-outer-independent domination in graphs
PublicationWe initiate the study of 2-outer-independent domination in graphs. A 2-outer-independent dominating set of a graph G is a set D of vertices of G such that every vertex of V(G)\D has at least two neighbors in D, and the set V(G)\D is independent. The 2-outer-independent domination number of a graph G is the minimum cardinality of a 2-outer-independent dominating set of G. We show that if a graph has minimum degree at least two,...
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MULTI-CRITERIA MODEL IN MULTIFUNCTIONAL BUILDING SYSTEM DESIGN PROCESS
PublicationThe paper presents a multi-criteria approach in multifunctional building system design process. The aim is to develop a theory relative to the engineering system of multifunctional with a mathematical representation defined by a holistic network for the lifecycle of the designed object. The idea of work was to define the structure of a complex system. Background for the presented field is to develop a design strategy for multifunctional...
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Selected manufacturing difficulties encountered during setup of machining on cnc multi-axis linear automatic lathe and on cnc multi-spindle turning centers
PublicationThe article presents the observed manufacturing technology implementation difficulties in workshop practice, resulting from the construction and principles of operation on the DMG’s SPRINT 32/5 CNC linear automatic lathe and on the Mazak’s HQR 150 MSY and QTN 200 MS CNC turn - mill centers, and discusses possible rules for solving the production problems encountered. The article also discusses the principles of dividing the machining...
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Molecular structures of two E-azobenzocrown ethers
PublicationRentgenowska analiza strukturalna monokryształów posłużyła do scharakteryzowania struktury izomerów E dwóch azobenzokoron: 13- i 16-członowej. Oba związki krystalizują w układzie jednoskośnym. W komórce elementarnej, w każdym przypadku znajdują się dwie niezależne cząsteczki, różniące się konformacją, szczególnie łańcucha eterowego. Porównując konformacje ''wolnych'' makrocykli z konformacjami ich kompleksów z jonami metali wskazano,...
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Equivalent single-layer models in deformation analysis of laminated multilayered plates
PublicationThe performance of selected Equivalent Single-Layer (ESL) models is evaluated within several classical benchmark tests for linear static analysis of multi-layered plates. The authors elaborated their own Finite Element software based on the first-order shear deformation theory (FOSD) with some modifications incorporated including a correction of the transverse shear stiffness and an application of zig-zag type functions. Seven...
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A Multi-Fidelity Surrogate-Model-Assisted Evolutionary Algorithm for Computationally Expensive Optimization Problems
PublicationIntegrating data-driven surrogate models and simulation models of different accuracies (or fideli-ties) in a single algorithm to address computationally expensive global optimization problems has recently attracted considerable attention. However, handling discrepancies between simulation models with multiple fidelities in global optimization is a major challenge. To address it, the two major contributions of this paper include:...
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A novel luminescent chemical sensor for the determination of Pb 2+ and Cu 2+ ions
PublicationSilica xerogel surface grafted with aminopropyl (PrNH2) groups was additionally treated by cetyltrimethylammonium bromide (CTAB) surfactant and ascorbic acid (asc) in alkaline solution. This material symbolized as SiO2-PrNH2-CTAB/asc, proved to be a stable luminescent material, exhibited an emission band peaked at 393 nm under excitation wavelength 335 nm. Time evolution of the band intensity suggests changes of defect concentration...
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Multidimensional Gas Chromatography in Essential Oil Analysis. Part 2: Application to Characterisation and Identification
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Analysis of electromagnetic plane wave scattering from 2-d periodic arrangements of posts
PublicationArtykuł prezentuje metodę analizy rozpraszania fali elektromagnetycznej od układu periodycznie rozłożonych obiektów cylindrycznych na płaszczyźnie. Opisywane podejście analizy wykorzystuje pełnofalowe rozwiązanie oparte na metodzie dopasowania rodzajów. Wynikiem analizy jest wielorodzajowa macierz rozproszenia badanych powierzchni periodycznych.
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Spectroelectrochemical analysis of TiO 2 electronic states – Implications for the photocatalytic activity of anatase and rutile
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Aquaporin 2: Identification and analysis of expression in calves’ urine during their first month of life
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Analysis
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CD99 correlates with low cyclin D1, high topoisomerase 2 status and triple negative molecular phenotype but is prognostically irrelevant in breast carcinoma
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Molywood: streamlining the design and rendering of molecular movies
PublicationMotivation High-quality dynamic visuals are needed at all levels of science communication, from the conference hall to the classroom. As scientific journals embrace new article formats, many key concepts – particularly in structural biology – are also more easily conveyed as videos than still frames. Notwithstanding, the design and rendering of a complex molecular movie remain an arduous task. Here, we introduce Molywood, a robust...
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Emilia Miszewska dr inż.
PeopleEmilia Miszewska was born in 1986 in Gdańsk. She graduated from Primary School No. 17 in Gdańsk with sports classes specializing in swimming and Janusz Kusociński Sports Secondary School No. 11 in Gdańsk. In 2005, she started uniform master's studies at the Faculty of Civil and Environmental Engineering, which she completed in 2011, defending her diploma thesis entitled "Analysis and development of fire protection guidelines and...
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Non-isolating 2-bondage in graphs
PublicationA 2-dominating set of a graph G=(V,E) is a set D of vertices of G such that every vertex of V(G)D has at least two neighbors in D. The 2-domination number of a graph G, denoted by gamma_2(G), is the minimum cardinality of a 2-dominating set of G. The non-isolating 2-bondage number of G, denoted by b_2'(G), is the minimum cardinality among all sets of edges E' subseteq E such that delta(G-E') >= 1 and gamma_2(G-E') > gamma_2(G)....
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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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Molecular basis of lipopolysaccharide heterogeneity in Escherichia coli: envelope stress-responsive regulators control the incorporation of glycoforms with a third 3-deoxy-α-D-manno-oct-2-ulosonic acid and rhamnose.
PublicationMass spectrometric analyses of lipopolysaccharide (LPS) from isogenic Escherichia coli strains with nonpolar mutations in the waa locus or overexpression of their cognate genes revealed that waaZ and waaS are the structural genes required for the incorporation of the third 3-deoxy-α-D-manno-oct-2-ulosonic acid (Kdo) linked to Kdo disaccharide and rhamnose, respectively. The incorporation of rhamnose requires prior sequential incorporation...
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Multi-core and Multiprocessor Implementation of Numerical Integration in Finite Element Method
PublicationThe paper presents techniques for accelerating a numerical integration process which appears in the Finite Element Method. The acceleration is achieved by taking advantages of multi-core and multiprocessor devices. It is shown that using multi-core implementation with OpenMP and a GPU acceleration using CUDA architecture allows one to achieve the speedups by a factor of 5 and 10 on a CPU and GPUs, respectively.
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Automatic Breath Analysis System Using Convolutional Neural Networks
PublicationDiseases related to the human respiratory system have always been a burden for the entire society. The situation has become particularly difficult now after the outbreak of the COVID-19 pandemic. Even now, however, it is not uncommon for people to consult their doctor too late, after the disease has developed. To protect patients from severe disease, it is recommended that any symptoms disturbing the respiratory system be detected...
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Automatic Breath Analysis System Using Convolutional Neural Networks
PublicationDiseases related to the human respiratory system have always been a burden for the entire society. The situation has become particularly difficult now after the outbreak of the COVID-19 pandemic. Even now, however, it is common for people to consult their doctor too late, after the disease has developed. To protect patients from severe disease, it is recommended that any symptoms disturbing the respiratory system be detected as...
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Analiza decyzyjna/Decision analysis
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Market Analysis 2022/23
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Financial Analysis (lectures, 2022)
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Financial Analysis (22/23)
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Financial Analysis (summer 2024)
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Market Analysis 2023/24
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Telomerase inhibition - unfulfilled hopes in the perfect molecular target
PublicationTelomerase plays a pivotal role in cell proliferation, homeostasis, and neoplastic transformation, making it a promising molecular target for cancer chemotherapy. Of note, although hTERT has been explored thoroughly as a target, none of the promising molecules has been approved as a drug until now. The subject of research conducted as part of my doctoral dissertation is explaining the cellular and molecular mechanism of action...
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Synthesis and molecular structure of novel 2-(alkylthio)-4-chloro-N-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamideswith potential anticancer activity
PublicationOtrzymano 15 nowych związków: 2-(alkilotio)-4-chloro-N-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-5-metylobenzenosulfonamidów, dla których opracowano nową metodę syntezy. Dla jednej pochodnej wyznaczono strukturę rentgenowską. Związek nr 36 wykazuje wysoką aktywność przeciwnowotworową w stosunku do 13 linii komórek nowotworowych o poziomie GI_50 w zakresie stężeń 1,9-3,0 μM.
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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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Modeling a Traffic Remapping Attack Game in a Multi-hop Ad Hoc Network
PublicationIn multi-hop ad hoc networks, selfish nodes may unduly acquire high quality of service (QoS) by assigning higher priority to source packets and lower priority to transit packets. Such traffic remapping attacks (TRAs) are cheap to launch, impossible to prevent, hard to detect, and harmful to non-selfish nodes. While studied mostly in single-hop wireless network settings, TRAs have resisted analysis in multi-hop settings. In this paper...
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Properties of an innovative multi-functional finish for the improvement of indoor air quality
PublicationDue to lifestyle changes, people spend most of their time indoors at present; thus, Indoor Air Quality (IAQ) is a matter of utmost importance. Multi-functional and innovative finishes can help to passively improve the IAQ, benefitting the health and comfort of occupants. For this study, reference and pre-mixed commercial mortars are compared to a new multi-functional hydraulic lime mortar for indoor finishes, in which conventional...
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TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals
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Mass spectrometry-based serum proteome pattern analysis in molecular diagnostics of early stage breast cancer
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Analysis of spectral data by complementary methods. Inspection of the molecular complex in N,N-dimethylformamide - methanol mixtures
PublicationDane widmowe FTIR mieszanin N,N-dimetyloformamidu z metanolem poddano anlizie faktorowej oraz analizie metodą ważonych widm różnicowych. Przydatność obu metod analizy w odniesieniu do układów z wiązaniem wodorowym poddano krytycznej dyskusji. Stwierdzono obecność kompleksu molekularnego typu 1:1 w całym zakresie składów mieszanin. Forma tego kompleksu zależy jednak od składu roztworu. Postulowano występowanie słabych wiązań wodorowych...
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Numerical investigation on dynamic performance of a multi-storey steel structure model and comparison with experimental results
PublicationShaking table testing is the most commonly adopted method to simulate earthquake forces. This approach allows us to analyze the dynamic performance and provides a valuable insight into the dynamics of building structures, which helps to improve their future safety and reliability. The present study aims to conduct a numerical evaluation of dynamic response of a multi-storey steel structure model, which was previously examined during...
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Numerical Investigation on Dynamic Performance of a Multi-storey Steel Structure Model and Comparison with Experimental Results
PublicationShaking table testing is the most commonly adopted method to simulate earthquake forces. This approach allows us to analyze the dynamic performance and provides a valuable insight into the dynamics of building structures, which helps to improve their future safety and reliability. The present study aims to conduct a numerical evaluation of dynamic response of a multi-storey steel structure model, which was previously examined during...
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Self-Association of Amphotericin B: Spontaneous Formation of Molecular Structures Responsible for the Toxic Side Effects of the Antibiotic
PublicationAmphotericin B (AmB) is a lifesaving antibiotic used to treat deep-seated mycotic infections. Both the pharmaceutical activity and highly toxic side effects of the drug rely on its interaction with biomembranes, which is governed by the molecular organization of AmB. In the present work we present detailed analysis of self-assembly of AmB molecules in different environments, interesting from the physiological standpoint, based...