Filtry
wszystkich: 3961
wybranych: 2439
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: ruthenium complexes
-
Semantic Integration of Heterogeneous Recognition Systems
PublikacjaComputer 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...
-
Fast Design Optimization of Waveguide Filters Applying Shape Deformation Techniques
PublikacjaThis 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)....
-
The occurrence and role of Nitrospira in nitrogen removal systems
PublikacjaApplication 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...
-
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
PublikacjaX-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...
-
Interplay of hydrogen bonding and aryl-perfluoroaryl interactions in construction of supramolecular aggregates
PublikacjaThe 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...
-
Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-D-galactosidase from Arthrobacter sp. 32cB
PublikacjaArthbetaDG 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...
-
Copper(I) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
PublikacjaReaction 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...
-
Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea
PublikacjaThe 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...
-
Specialist Pavilion Hospitals Of West Prussia In The 19th Century – Evolution Of The Idea
PublikacjaThe 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...
-
Reactive imines: Addition of 2-aminopyrimidine to the imine bond and isolation of the aminal from the equilibrium mixture aminal/imine
PublikacjaThe 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...
-
Numerical and experimental study on effect of boundary conditions during testing of stiffened plates subjected to compressive loads
PublikacjaThis 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...
-
Epigenetic inhibitor zebularine activates ear pinna wound closure in the mouse
PublikacjaBackground: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...
-
π-Indenyl substituted zirconium compounds containing terminal bondedphosphanylphosphido ligands [Ind2Zr(Cl){(Me3Si)P-PR2-jP1}]. Synthesis,X-ray analysis and NMR studies
PublikacjaPraca 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)...
-
Carburization Behavior of High-Grade Pellets After Direct Reduction in Pure Hydrogen
PublikacjaCarburization 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...
-
Chromogenic azomacrocycles with imidazole residue: Structure vs. properties
PublikacjaNew 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)....
-
DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublikacjaHydrophobic 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...
-
Looking for the Optimal Location of an Eco-District within a Metropolitan Area: The Case of Tricity Metropolitan Area
PublikacjaCompact 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...
-
An Efficient Framework For Fast Computer Aided Design of Microwave Circuits Based on the Higher-Order 3D Finite-Element Method
PublikacjaIn 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...
-
Quest for the Molecular Basis of Improved Selective Toxicity of All-Trans Isomers of Aromatic Heptaene Macrolide Antifungal Antibiotics
PublikacjaThree 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...
-
The smartest location for an eco-district– investigation of urban spatial energy efficiency
Publikacjancreasing 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...
-
Estimation of structural stiffness with the use of Particle Swarm Optimization
PublikacjaThe 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...
-
A comparison of structural and luminescence properties of lead(II) coordination polymers with isomeric thiophenecarboxylate ligands
PublikacjaTwo 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...
-
Photophysics of Ru(II) Dyads Derived from Pyrenyl-Substitued Imidazo[4,5-f][1,10]phenanthroline Ligands.
PublikacjaThe 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...
-
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
PublikacjaThe 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}]...
-
Supramolecular Synthesis Based on a Combination of Se···N Secondary Bonding Interactions with Hydrogen and Halogen Bonds
PublikacjaExamination 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...
-
A novel method of local chirp-rate estimation of LFM chirp signals in the time-frequency domain
PublikacjaIn 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...
-
Improving the Accuracy in Sentiment Classification in the Light of Modelling the Latent Semantic Relations
PublikacjaThe 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...
-
Chirp-rate estimation of FM signals in the time-frequency domain
PublikacjaNovel 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...
-
A COMPUTATIONAL ALGORITHM FOR THE NUMERICAL SOLUTION OF NONLINEAR FRACTIONAL INTEGRAL EQUATIONS
Publikacja -
A NUMERICAL STUDY ON THE DYNAMICS OF DENGUE DISEASE MODEL WITH FRACTIONAL PIECEWISE DERIVATIVE
PublikacjaThe 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...
-
MEMORY EFFECT ANALYSIS USING PIECEWISE CUBIC B-SPLINE OF TIME FRACTIONAL DIFFUSION EQUATION
PublikacjaThe 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...
-
Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn 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....
-
Contribution to the mechanism of liquid membrane oscillators involving cationic surfactant.
PublikacjaIt 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...
-
Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands
PublikacjaA 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....
-
The complexity of minimum-length path decompositions
PublikacjaWe 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...
-
Molecular dynamics simulations of the affinity of chitin and chitosan for collagen: the effect of pH and the presence of sodium and calcium cations
PublikacjaChitosan 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...
-
Temperature Evolution, Material Flow, and Resulting Mechanical Properties as a Function of Tool Geometry during Friction Stir Welding of AA6082
PublikacjaThe 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....
-
Generating optimal paths in dynamic environments using RiverFormation Dynamics algorithm
PublikacjaThe 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...
-
Problem of aggregation in dye-DNA interaction, calorimetry studies
PublikacjaNucleic 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....
-
Interval incidence graph coloring
PublikacjaIn 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...
-
Concentration‐Induced Hetero‐Valent Partial‐Inverse Occupation of Infrared Phosphor
PublikacjaInfrared luminescent materials have evoked much attention from chemists and material scientists. Although substantial progress is made in materials design, the luminescent mechanism remains ambiguous in the complex structures, presenting major barriers to developing novel infrared luminescent materials. Herein, this study aims to deliberate a complete discussion on infrared phosphors with concentration-induced hetero-valent partial-inverse...
-
Renovation works in buildings in the area of former defensive fortifications
Publikacjahe paperpresents the Complex of Buildings which was created in Gdańsk as a result of the reconstruction and development of the remains of the defensive fortifications of Redita Napoleońska. Some of the buildings of the Building Complex, after many years of operation, were in an emergency condition and required urgent renovation and repair work. The papercontains a detailed analysis of the technicalcondition of individual...
-
Smart Weighing Scale with Feet-Sampled ECG
PublikacjaIn a smart home, health and well-being monitoring systems could be embedded in everyday devices providing a pervasive care. A home bathroom scale is an example of such a device, typically used to measure body weight and very often its composition (e.g. body water/fat percentage). In this paper, we analyzed a potential use of the bathroom scale to measure electrocardiogram (ECG) from electrodes located on the scale's tile. In particular...
-
Effect of Ion and Binding Site on the Conformation of Chosen Glycosaminoglycans at the Albumin Surface
PublikacjaAlbumin is one of the major components of synovial fluid. Due to its negative surface charge, it plays an essential role in many physiological processes, including the ability to form molecular complexes. In addition, glycosaminoglycans such as hyaluronic acid and chondroitin sulfate are crucial components of synovial fluid involved in the boundary lubrication regime. This study presents the influence of Na+, Mg2+ and Ca2+ ions...
-
Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
PublikacjaGlobal reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants. Ten oxidation pathways have been investigated, and all of them are exothermic. The potential energy diagram has been sketched using different pre- and post-reactive complexes for all reaction pathways. Rate coefficient...
-
Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters
PublikacjaThree new titanium oxo-clusters Ti4O2(OiPr)10(OOCPhMe)2 (I), Ti6O4(OEt)8(OOCPhMe)8 (II) and Ti6O6(OEt)6(OOCCHPh2)6 (III) were obtained by easy one-step solvothermal reactions of titanium(IV) isopropoxide, alcohols and carboxylic acids. The three compounds were characterized by single-crystal and powder X-ray diffraction, TGA/DSC, optical and electron microscopy, and FTIR and NMR spectroscopy. X-ray powder diffraction and spectroscopy...
-
Be fearless: Positive affect as a mediator between venturesomeness and self-efficacy in future entrepreneurs and managers
PublikacjaIntroduction and objectives Self-efficacy, personality and different affect states in entrepreneurs and managers are important factors for effectiveness and well-being. The aim of the study was to examine in young adults during entrepreneurship-related education, the relationships between venturesomeness and self-efficacy, and the mediating effects of positive affect and positive emotions (joviality, self-assurance, attentiveness)...
-
Remote Stateful Autoconfiguration for Mobile IPv6 Nodes with Server Side Duplicate Address Detection
PublikacjaDuring interdomain handover, IPv6 node requires new address at its new location. Once the L2 handover procedure is completed, mobile node (MN) starts its IPv6 configuration, using stateless (router advertisements) or stateful (DHCPv6 communication) mode. Once the address is obtained, its uniqueness has to be verified, using Duplicate Address Detection (DAD) procedure. Depending on the interface type, this procedure may easily take...
-
Induction of chirality in 4,4'-azopyridine by halogen-bonding interaction with optically active ditopic donors
PublikacjaOptically active ditopic halogen bond donors bearing two 4-iodotetrafluorophenyl groups were obtained by reaction of chiral diols with iodopentafluorobenzene. Co-crystallization of these donors with anti-4,4′-azopyridine afforded binary complexes containing infinite chains of the alternating component molecules connected by halogen bonds. The solid state CD measurements confirmed that complexation induces optical activity of the...
-
Alternative methods for dark fermentation course analysis
PublikacjaDark fermentation course analysis is crucial, as complexed matrix of gaseous components may be formed and revealed during the process. The paper considers key issues related to the microbiological process in which complex organic substances are transformed into hydrogen. For the purposes of hydrogen generation, the application of wastewater mixed sludge pre-treated according to Faloye method (Faloye et al. in Int J Hydrog Energy...