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Search results for: LANTHANIDE COMPLEXES
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Semantic Integration of Heterogeneous Recognition Systems
PublicationComputer perception of real-life situations is performed using a variety of recognition techniques, including video-based computer vision, biometric systems, RFID devices and others. The proliferation of recognition modules enables development of complex systems by integration of existing components, analogously to the Service Oriented Architecture technology. In the paper, we propose a method that enables integration of information...
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The occurrence and role of Nitrospira in nitrogen removal systems
PublicationApplication of the modern microbial techniques changed the paradigm about the microorganisms performing nitrification. Numerous investigations recognized representatives of the genus Nitrospira as a key and predominant nitrite-oxidizing bacteria in biological nutrient removal systems, especially under low dissolved oxygen and substrate conditions. The recent discovery of Nitrospira capable of performing complete ammonia oxidation...
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Fast Design Optimization of Waveguide Filters Applying Shape Deformation Techniques
PublicationThis paper presents an efficient design of microwave filters by means of geometry optimization using shape deformation techniques. This design procedure allows for modelling complex 3D geometries which can be fabricated by additive manufacturing (AM). Shape deforming operations are based on radial basis function (RBF) interpolation and are integrated into an electromagnetic field simulator based on the 3D finiteelement method (FEM)....
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Interplay of hydrogen bonding and aryl-perfluoroaryl interactions in construction of supramolecular aggregates
PublicationThe stacking between aryl and perfluoroaryl units is an important class of the aromatic – aromatic interactions that has attracted rapidly growing interest in recent years. Continuing interest of our group in this subject it had been prepared three new complexes of pentafluorobenzoic acid with benzyl alcohol, 4-methylbenzyl alcohol and 4-tert-butylbenzyl alcohol and in the next step investigated their self-assembly modes by...
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Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols
PublicationX-ray crystallographic analysis of the title compounds revealed that they assume a folded helical con- formation of an approximate C2 symmetry in the solid state. Dithioamide, diselenoamide and monoselenoamide were resolved to enantiomers by inclusion crystallization with optically active diols (TADDOLs). The absolute configuration of the guest molecules in the complexes was assigned as P. The optical activity of the resolved compounds...
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Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-D-galactosidase from Arthrobacter sp. 32cB
PublicationArthbetaDG is a dimeric, cold-adapted beta-D-galactosidase that exhibits high hydrolytic and transglycosylation activity. A series of crystal structures of its wild form, as well as its ArthbetaDG_E441Q mutein complexes with ligands were obtained in order to describe the mode of its action. The ArthbetaDG_E441Q mutein is an inactive form of the enzyme designed to enable observation of enzyme interaction with its substrate. The...
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Copper(I) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
PublicationReaction of copper(I) halides with chiral dithiodianthranilidesmdtaandbdtaafforded polymeric complexeswhere polynuclear CuX clusters were linked together by ditopic bridging ligands into 1D chains or 2D layerstructures. In the case of racemic ligands double stranded chain polymers were formed where the Cu4X4(X = I or Br) cores are connected by enantiomeric pairs of the ditopic ligands. In contrast, a homochiralmdtaligand created...
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Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea
PublicationThe possibility of molecular complex formation in the solid state of urea with benzoic acid analogues was measured directly on the crystallite films deposited on the glass surface using powder X-ray diffractometry (PXRD). Obtained solid mixtures were also analyzed using Fourier transform infrared spectroscopy (FTIR). The simple droplet evaporation method was found to be efficient, robust, fast and cost-preserving approach for first...
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Reactive imines: Addition of 2-aminopyrimidine to the imine bond and isolation of the aminal from the equilibrium mixture aminal/imine
PublicationThe reaction between o-vanillin and 2-aminopyrimidine leads to the formation of a single crystalline product: aminal, 1, which results from the reaction of the initially formed imine with 2-aminopyrimidine. The reaction was followed by the NMR spectroscopy. VT NMR studies prove that in solution two major species are observed: aminal and imine and their ratio depends on the time or/and temperature with the imine content increasing...
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Specialist Pavilion Hospitals Of West Prussia In The 19th Century – Evolution Of The Idea
PublicationThe size and shape of the largest pavilion hospitals established in West Prussia in the 19th century changed along with the advancing technical and medical knowledge, the progress of ideas regarding modern society, architectural patterns, and the needs for which the hospitals were built. Apart from the medical treatment section, there were administrative, social and technical facilities, all constituting parts of the complex. The...
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Numerical and experimental study on effect of boundary conditions during testing of stiffened plates subjected to compressive loads
PublicationThis study analyses the effect of boundary conditions during testing on the structural behaviour stiffened plates with different thicknesses subjected to compressive loads. The goal of the compressive tests is to analyse the ultimate strength of a stiffened plate. During the test, relevant physical quantities are measured and investigated. The supporting structure's behaviour is investigated by analysing the force-displacements...
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Epigenetic inhibitor zebularine activates ear pinna wound closure in the mouse
PublicationBackground:Most studies on regenerative medicine focus on cell-based therapies and transplantations.Small-molecule therapeutics, though proved effective in different medical conditions, have not been extensivelyinvestigated in regenerative research. It is known that healing potential decreases with development and devel-opmental changes are driven by epigenetic mechanisms, which suggests epigenetic repression of regenerativecapacity.Methods:We...
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π-Indenyl substituted zirconium compounds containing terminal bondedphosphanylphosphido ligands [Ind2Zr(Cl){(Me3Si)P-PR2-jP1}]. Synthesis,X-ray analysis and NMR studies
PublicationPraca prezentuję reakcję kompleksów indenylowych cyrkonu z solami litowymi difosfanów o ogólnym wzorze R2P-P(SiMe3)Li, gdzie R = tBu, Et2N, iPr2N. W wyniku tych reakcji otrzymano 3 nowe kompleksy fosfanylofosfidowe.Otrzymane nowe kompleksy zbadano przy pomocy technik rentgenowskiej analizy strukturalnej i NMR.Dichloro-bis(indenyl)zirconium(IV) reacts with lithium derivatives of diphosphanes R2P-P(SiMe3)Li (R = tBu, Et2N, iPr2N)...
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Carburization Behavior of High-Grade Pellets After Direct Reduction in Pure Hydrogen
PublicationCarburization is a critical aspect in the iron and steel industry as it significantly affects the mechanical and chemical properties of the final product. This study provides a comprehensive analysis of the carburization potential of high-grade quality iron ore pellets after direct reduction in pure hydrogen. The results show that the porosity of the pellets has a significant impact on the efficiency and success of the direct reduction...
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Chromogenic azomacrocycles with imidazole residue: Structure vs. properties
PublicationNew diazo macrocycles linked by hydrocarbon chain bearing imidazole or 4-methylimidazole residue have been synthetized with satisfactory yield (24–55%). The structure of macrocycles was confirmed by X-ray analysis and spectroscopic methods (1H NMR, MS, FTIR). Metal cation complexation studies were carried out in acetonitrile and acetonitrile-water system. It was found that azomacrocyles form triple-decker complexes with lead(II)....
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DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublicationHydrophobic hydration of solutes with a mixed hydrophilic--hydrophobic characteristics is still poorly understood. This is because both experimental and theoretical methods find it difficult to see the ice-like water structure around the nonpolar solute groups, unlike hydrogen bonds with the hydrophilic groups. In order to unravel this problem, we have investigated DMSO hydration by means of infrared spectroscopy and theoretical...
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Looking for the Optimal Location of an Eco-District within a Metropolitan Area: The Case of Tricity Metropolitan Area
PublicationCompact housing structures located in city centers are considered to be the most energy and environmentally eective, mainly due to the access to services, transport networks and municipal infrastructures. There is the question of why so many of the acknowledged ecological housing complexes are located on the outskirts of cities or suburbs. Numerous cities decide to introduce strategies either to densify city centers, hoping to...
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URBAN DESIGN IV - MATARNIA/AIRPORT - ERASMUS 2021/22
e-Learning CoursesUrban Design IV the course objective is to provide a district-level design proposal for the development of the complex urban areas. The objective is to develop the proposals for the areas adjacent to the Gdansk Lech Walesa Airport. The course is open to ERASMUS students and it is delivered in English.
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An Efficient Framework For Fast Computer Aided Design of Microwave Circuits Based on the Higher-Order 3D Finite-Element Method
PublicationIn this paper, an efficient computational framework for the full-wave design by optimization of complex microwave passive devices, such as antennas, filters, and multiplexers, is described. The framework consists of a computational engine, a 3D object modeler, and a graphical user interface. The computational engine, which is based on a finite element method with curvilinear higher-order tetrahedral elements, is coupled with built-in...
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Quest for the Molecular Basis of Improved Selective Toxicity of All-Trans Isomers of Aromatic Heptaene Macrolide Antifungal Antibiotics
PublicationThree aromatic heptaene macrolide antifungal antibiotics, Candicidin D, Partricin A (Gedamycin) and Partricin B (Vacidin) were subjected to controlled cis-trans to all trans photochemical isomerization. The obtained all-trans isomers demonstrated substantially improved in vitro selective toxicity in the Candida albicans cells: human erythrocytes model. This effect was mainly due to the diminished hemotoxicity. The molecular modeling...
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Aleksandra Parteka dr hab. inż.
PeopleAbout me: I am an associate professor and head of doctoral studies at the Faculty of Management and Economics, Gdansk University of Technology (GdanskTech, Poland). I got my MSc degree in Economics from Gdansk University of Technology (2003) and Universita’ Politecnica delle Marche (2005), as well as MA degree in Contemporary European Studies from Sussex University (2006, with distinction). I received my PhD in Economics...
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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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The smartest location for an eco-district– investigation of urban spatial energy efficiency
Publicationncreasing awareness concerning environmental aspects of spatial and architectural planning led to more deliberated projects of eco-districts. Located all over the world and constantly being improved, apart from excellent energetical parameters, most of them have one specific characteristic in common, which is location in the outskirts. The aim of this article was to understand the importance of ecological district location depending...
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Estimation of structural stiffness with the use of Particle Swarm Optimization
PublicationThe paper presents the theoretical background and four applications examples of the new method for the estimation of support stiffness coefficients of complex structures modelled discretely (e.g. with the use of the Finite Element Model (FEM) method based on the modified Particle Swarm Optimization (PSO) algorithm. In real-life cases, exact values of the supports’ stiffness coefficients may change for various reasons...
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A comparison of structural and luminescence properties of lead(II) coordination polymers with isomeric thiophenecarboxylate ligands
PublicationTwo new lead(II) coordination polymers with isomeric thiophenecarboxylates, namely [Pb(2tpCOO)2]n (1) and [Pb(3tpCOO)2(H2O)]n (2) (2tpCOO− = thiophene-2-carboxylate, 3tpCOO− = thiophene-3-carboxylate), were synthesized and characterized. Single crystal X-ray crystallography revealed a distorted pentagonal pyramidal geometry {PbO6} around Pb in 1 and a distorted dodecahedral geometry {PbO8} in 2. The distortion derived from the...
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Photophysics of Ru(II) Dyads Derived from Pyrenyl-Substitued Imidazo[4,5-f][1,10]phenanthroline Ligands.
PublicationThe photophysics of a series of Ru(II) dyads based on the 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline ligand was investigated. The ability of these metal complexes to intercalate DNA and induce cell death upon photoactivation makes them attractive photosensitizers for a range of photobiological applications, including photodynamic therapy. In the present study, time-resolved transient absorption and emission spectroscopy...
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Supramolecular Synthesis Based on a Combination of Se···N Secondary Bonding Interactions with Hydrogen and Halogen Bonds
PublicationExamination of the solid state structures of 2,1,3-benzoselenadiazole complexes with hydrogen or halogen bond donors has demonstrated that the 2,1,3-benzoselenadiazole molecules preferably form centrosymmetric dimers with use of [Se–N]2 supramolecular synthon, whereas the two remaining nitrogen atoms not involved in the [Se–N]2 supramolecular interactions can act as acceptors of hydrogen or halogen bonds. Cocrystallization of selenadiazoles...
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Molecular Structures of the Phospha-Wittig Reaction Intermediate: Initial Step in the Synthesis of Compounds with a C═P–P Bond as Products in the Phospha-Wittig Reaction
PublicationThe phospha-Wittig reactivity ofβ-diketiminate titanium(III) complexes with phosphanylphosphido ligands was investigated. The reactions of [MeNacNacTi(Cl){η2-P(SiMe3)-PtBu2}] and [MeNacNacTi(Cl){η2-P(SiMe3)-P(Ph)tBu}] with acetone conducted in toluene solution under mild conditions led to the phospha-Wittig intermediates [{(ArN=C(Me)CHC(Me)=NAr)(C(Me)2O}Ti(Cl){PtBu2-P(SiMe3)C(Me)2O}] (1) and [{(ArN=C(Me)CHC(Me)=NAr) (C-(Me)2O}Ti(Cl){P(Ph)tBu-P(SiMe3)C(Me)2O}]...
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A novel method of local chirp-rate estimation of LFM chirp signals in the time-frequency domain
PublicationIn the paper, novel dynamic representations of a complex signal in the time-frequency domain are introduced. The proposed approach is based on using the gradient of the short-time Fourier transform complex phase. A channelized instantaneous complex frequency (CICF) and a complex local group delay (CLGD) are included in the presented signal representations. An application of the newly-introduced distributions is demonstrated by...
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Improving the Accuracy in Sentiment Classification in the Light of Modelling the Latent Semantic Relations
PublicationThe research presents the methodology of improving the accuracy in sentiment classification in the light of modelling the latent semantic relations (LSR). The objective of this methodology is to find ways of eliminating the limitations of the discriminant and probabilistic methods for LSR revealing and customizing the sentiment classification process (SCP) to the more accurate recognition of text tonality. This objective was achieved...
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Chirp-rate estimation of FM signals in the time-frequency domain
PublicationNovel dynamic representations of a complex signal in the time-frequency domain including: a channelized instantaneous complex frequency (CICF), a complex local group delay (CLGD) and a channelized instantaneous chirp-rate (CICR) are introduced. The proposed approach is based on the use of the gradient of the short-time Fourier transform complex phase. An interpretation of the newly-introduced distributions especially of the CICR...
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A NUMERICAL STUDY ON THE DYNAMICS OF DENGUE DISEASE MODEL WITH FRACTIONAL PIECEWISE DERIVATIVE
PublicationThe aim of this paper is to study the dynamics of Dengue disease model using a novel piecewise derivative approach in the sense of singular and non-singular kernels. The singular kernel operator is in the sense of Caputo, whereas the non-singular kernel operator is the Atangana–Baleanu Caputo operator. The existence and uniqueness of a solution with piecewise derivative are examined for the aforementioned problem. The suggested...
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A COMPUTATIONAL ALGORITHM FOR THE NUMERICAL SOLUTION OF NONLINEAR FRACTIONAL INTEGRAL EQUATIONS
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MEMORY EFFECT ANALYSIS USING PIECEWISE CUBIC B-SPLINE OF TIME FRACTIONAL DIFFUSION EQUATION
PublicationThe purpose of this work is to study the memory effect analysis of Caputo–Fabrizio time fractional diffusion equation by means of cubic B-spline functions. The Caputo–Fabrizio interpretation of fractional derivative involves a non-singular kernel that permits to describe some class of material heterogeneities and the effect of memory more effectively. The proposed numerical technique relies on finite difference approach and cubic...
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublicationIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Janusz Rachoń prof. dr hab. inż.
PeopleSprawował urząd rektora w latach 2002-2008 Urodził się 11 sierpnia 1946 r. w Nowym Sączu. Studia wyższe ukończył w 1969 r. na Wydziale Chemicznym Politechniki Gdańskiej, uzyskując tytuł magistra inżyniera chemika. W 1969 r. rozpoczął pracę na Wydziale Chemicznym Politechniki Gdańskiej, na którym uzyskał w 1975 r. doktorat, a w 1985 r. habilitację. Na stanowisko docenta został powołany w 1989 r., na stanowisko profesora nadzwyczajnego...
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Contribution to the mechanism of liquid membrane oscillators involving cationic surfactant.
PublicationIt is shown that liquid membrane oscillators with cationic surfactants havemore complex oscillation patterns than observed previously. The actual details of the oscillations depend strongly on the nature of the membrane material, dislosing even the presence of parallel molecular events. It appearsthat sampling topology also has a great influence on the observed oscillato-ry behaviour. Variation of oscillation patterns with...
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In situ spectroelectrochemical and theoretical study on the oxidation of a 4H-imidazole-ruthenium dye adsorbed on nanocrystalline TiO2thin film electrodes
PublicationTerpyridine 4H-imidazole-ruthenium(ii) complexes are considered promising candidates for use as sensitizers in dye sensitized solar cells (DSSCs) by displaying broad absorption in the visible range, where the dominant absorption features are due to metal-to-ligand charge transfer (MLCT) transitions. The ruthenium(iii) intermediates resulting from photoinduced MLCT transitions are essential intermediates in the photoredox-cycle...
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Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands
PublicationA series of new metal heteroleptic complexes have been obtained in simple reactions of 1-(3-aminopropyl)-imidazole (api) and 1,4-bis(imidazol-1-yl)-butane (bbi) ligands with metal silanethiolates or acetylacetonates. The obtained complexes are the coordination polymers [Ni{SSi(tBuO)3}2(μ-api)]n1, [Co{SSi(tBuO)3}2(μ-api)]n2, [Cd{SSi(tBuO)3}2(μ-api)·2CH3OH]n3, [Cd{SSi(tBuO)3}2(μ-bbi)·CHCl3]n4 and the dimer [Co{SSi(tBuO)3}2(μ-bbi)·3CH3OH]25....
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Kinga Kaniewska-Laskowska dr inż.
PeopleEducation BSc - qualification: Engineer in Chemistry 2013: Gdańsk University of Technology, Faculty of Chemistry, Department of Inorganic ChemistryPL thesis title: Kompleksy żelaza z ligandami fosfinidenowymiEN thesis title: Iron complexes with phosphinidene ligands Supervisor: dr hab. inż. Rafał Grubba MSc - qualification: Master of Science in Chemical Technology, spec. Organic Technology 2014: Gdańsk University of Technology,...
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Tomasz Wąsowicz dr hab.
PeopleTomasz Wąsowicz's research was first related to high-resolution atomic spectroscopy and focused on measurements and analysis of the transition probabilities of the forbidden lines, the hyperfine and isotopic structure of spectral lines of heavy elements, Stark effect in the helium atom. Tomasz Wąsowicz currently studies physicochemical processes occurring during interactions of various forms of radiation with atoms and molecules...
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The complexity of minimum-length path decompositions
PublicationWe consider a bi-criteria generalization of the pathwidth problem, where, for given integers k, l and a graph G, we ask whether there exists a path decomposition P of G such that the width of P is at most k and the number of bags in P, i.e., the length of P, is at most l. We provide a complete complexity classification of the problem in terms of k and l for general graphs. Contrary to the original pathwidth problem, which is fixed-parameter...
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Molecular dynamics simulations of the affinity of chitin and chitosan for collagen: the effect of pH and the presence of sodium and calcium cations
PublicationChitosan and chitin are promising biopolymers used in many areas including biomedical applications, such as tissue engineering and viscosupplementation. Chitosan shares similar properties with hyaluronan, a natural component of synovial fluid, making it a good candidate for joint disease treatment. The structural and energetic consequences of intermolecular interactions are crucial for understanding the biolubrication phenomenon...
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Temperature Evolution, Material Flow, and Resulting Mechanical Properties as a Function of Tool Geometry during Friction Stir Welding of AA6082
PublicationThe friction stir welding process was simulated for joining AA6082 aluminum alloy with the use of the computational fluid dynamics method. Two different tool geometries were used—a tapered cylindrical pin (simple pin) and a hexagonal pin with grooves (complex pin). The analysis of the simulations performed was discussed in terms of temperature evolution during the process, total heat input, residual stresses and material flow....
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Generating optimal paths in dynamic environments using RiverFormation Dynamics algorithm
PublicationThe paper presents a comparison of four optimisation algorithms implemented for the purpose of finding the shortest path in static and dynamic environments with obstacles. Two classical graph algorithms –the Dijkstra complete algorithm and A* heuristic algorithm – were compared with metaheuristic River Formation Dynamics swarm algorithm and its newly introduced modified version. Moreover, another swarm algorithm has been compared...
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Rafał Lech dr hab. inż.
PeopleIEEE Senior Member #92122578 Rafal Lech was born in Elblag, Poland, in 1977. He received the M.Sc.E.E. and Ph.D. degrees (with honors) from the Gdansk University of Technology, Gdansk, Poland, in 2001 and 2007, respectively. He is currently with the Faculty of Electronics, Department of Microwave and Antenna Engineering, Telecommunications and Informatics, Gdansk University of Technology. His main research interests are electromagnetic-wave...
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Problem of aggregation in dye-DNA interaction, calorimetry studies
PublicationNucleic acids are the biological target for many antimicrobial, antitumor and antiviral drugs. Ligand-DNA interactions can be classified into two major categories: 1. covalent binding, which can provide to intermolecular adducts, 2. physico-chemical interactions, which can be divided into intercalation (e.g. adriamycin) or groove binding (e.g. dystamycin). There are several methods to investigate interactions between drug and DNA....
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Interval incidence graph coloring
PublicationIn this paper we introduce a concept of interval incidence coloring of graphs and survey its general properties including lower and upper bounds on the number of colors. Our main focus is to determine the exact value of the interval incidence coloring number χii for selected classes of graphs, i.e. paths, cycles, stars, wheels, fans, necklaces, complete graphs and complete k-partite graphs. We also study the complexity of the...
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Synthesis and characterization of ruthenium and rhenium dyes with phosphonate anchoring groups
PublicationRe(L1)–Re(L3), a series of rhenium(I) tricarbonyl chloride complexes with bpy-R2 derivatives L1–L3 (bpy = 2,2′-bipyridine, R represents the substitution at the 4- and 4′-positions), and their corresponding trishomoleptic Ru(L1)3–Ru(L3)3 as well as heteroleptic ruthenium(II) complexes Ru(tbbpy)2(L1) and Ru(tbbpy)2(L2) have been synthesized and characterized. Their applicability as immobilizable metal–organic chromophores in solar...
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Andrzej Stateczny prof. dr hab. inż.
PeopleProf. Dr. Andrzej Stateczny is a Professor of Gdansk Technical University Poland and President of Marine Technology Ltd. His research interests are mainly centered on navigation, hydrography and geoinformatics. Current RF research activities include radar navigation, comparative navigation, hydrography, artificial intelligence methods focused on image processing and multisensory data fusion. He has been the Principal Investigator...