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Wyniki wyszukiwania dla: GEOMETRY
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Influence of orientational disorder on the optical absorption properties in hybrid metal‐halide perovskite CH3NH3PbI3. A combined DFT/TD‐DFT and experimental study.
PublikacjaAn experimental and theoretical investigation is reported to analyze the relation between the structural and absorption properties of CH3NH3PbI3 in the tetragonal phase. More than 3000 geometry optimizations were performed in order to reveal the structural disorder and to identify structures with the lowest energies. The electronic structure calculations provide an averaged band gap of 1.674 eV, which is in excellent agreement...
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Thermal failure of a second rotor stage in heavy duty gas turbine
PublikacjaThe impulse mode of operation and the supply of various types of fuels causes frequent failures even in the heavy duty gas turbines. The paper presents the ravages of second rotor stage failure in a gas turbine. The excessive thermal elongation rise caused by fuel change was indicated as the main cause. We applied nonlinear numerical analysis, preceded by thermodynamic calculations of the turbine and visual inspection of the effects...
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Mechanical Behavior of Bi-Layer and Dispersion Coatings Composed of Several Nanostructures on Ti13Nb13Zr Alloy
PublikacjaTitanium implants are commonly used because of several advantages, but their surface modification is necessary to enhance bioactivity. Recently, their surface coatings were developed to induce local antibacterial properties. The aim of this research was to investigate and compare me-chanical properties of three coatings: multi-wall carbon nanotubes (MWCNTs), bi-layer composed of an inner MWCNTs layer and an outer TiO2 layer, and...
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Ipertrofan Revisited—The Proposal of the Complete Stereochemistry of Mepartricin A and B
PublikacjaBeing a methyl ester of partricin, the mepartricin complex is the active substance of a drug called Ipertrofan (Tricandil), which was proven to be useful in treatment of benign prostatic hyperplasia and chronic nonbacterial prostatitis/chronic pelvic pain syndrome. Nevertheless, no direct structural evidence on the stereochemistry of its components has been presented to date. In this contribution, we have conducted detailed, NMR-driven...
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Compliance tests of the polymer layers used as hydrodynamic bearing coatings
PublikacjaOperational experience and scientific investigations results showed that polymer lined hydrodynamic bearings can withstand more severe operating conditions compared than white metal bearings. PTFE and PEEK-based coatings are the most frequently used as Babbitt alternatives. Both polymers differ significantly from the each other in material properties. According to catalogue data compression modulus of PTFE, it is about an order...
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Nonlinear Modeling in Time Domain Numerical Analysis of Stringed Instrument Dynamics
PublikacjaMusical instruments are very various in terms of sound quality with their timbre shaped by materials and geometry. Materials' impact is commonly treated as dominant one by musicians, while it is unclear whether it is true or not. The research proposed in the study focuses on determining influence of both these factors on sound quality based on their impact on harmonic composition. Numerical approach has been chosen to allowed independent...
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Synchro-photogrammetry in the measurement of objects in motion - the case study
PublikacjaSynchronous photographs and digital photogrammetry methods in a measurement of objects in motion - the experiment. In the following paper, a case study example of a photogrammetric method based on synchronous digital photographs has been presented. This measurement method is an effective solution for tracking of moving objects, dynamic studies and dimensioning of geometry movements. Nowadays, the use of synchronous photography...
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Remote sensing and photogrammetry techniques in diagnostics of concrete structures
PublikacjaRecently laser scanning technologies become widely used in many areas of the modern economy. In the following paper authors show a potential spectrum of use Terrestrial Laser Scanning (TLS) in diagnostics of reinforced concrete elements. Based on modes of failure analysis of reinforcement concrete beam authors describe downsides and advantages of adaptation of terrestrial laser scanning to this purpose, moreover reveal under which...
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Edge-Guided Mode Performance and Applications in Nonreciprocal Millimeter-Wave Gyroelectric Components
PublikacjaThe analogies between the behavior of gyromagnetic and gyroelectric nonreciprocal structures, the use of the simple transfer matrix approach, and the edge-guided (EG) wave property, supported in a parallel plate model for integrated magnetized semiconductor waveguide, are investigated in those frequency regions, where the effective permittivity is negative or positive. As with their ferrite counterparts, the leakage of the EG waves...
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THE EFFECT OF NOTCH DEPTH ON CTOD VALUES IN FRACTURE TESTS OF STRUCTURAL STEEL ELEMENTS
PublikacjaIn elements of steel structures working at low temperatures, there is a risk of appearance of brittle fracture. This risk is reduced through the use of certified materials having guaranteed strength at a given temperature. A method which is most frequently used to determine brittle fracture toughness is the Charpy impact test, preformed for a given temperature. For offshore structures intended to work in the arctic climat e, the...
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STABILITY OF THE INNER SLOPE OF THE POLISH DREDGDIKES RESEARCH DIKE AT STATIONARY FLOW
PublikacjaFor long duration of the flood the water table can appear on the slope with a problem of out-wash in the case of sand type dike. If the dike corps is covered with less permeable layer some additional push-off forces and shearing can rise in the cover. In both cases the micro stability of the inner slope should be considered at normative high water for homogeneous sand type dike or sand type dike with less permeable covers. The...
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Design and numerical testing of 5-box gfrp shell footbridge
PublikacjaThe paper formulates new design conditions for composite footbridges, taking into account the material and structural specificity of these objects, i.e. the strength condition, the serviceability condition and the frequency condition. A GFRP composite footbridge labelled with CFB2 code has been designed, with the original superstructure in the form of an opened-closed 5-box girder. The foot and cycle track bridge is simply supported,...
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Development of a compact microstrip resonant cell aimed at efficient microwave component size reduction
PublikacjaA comprehensive comparison of a wide collection of compact microstrip resonant cells (CMRCs) found in the extensive body of literature has been presented. The evaluation of different CMRC designs has led to the selection of the most promising CMRC geometry for the efficient miniaturisation of modern microwave components. In order to showcase the vital effectiveness of the approach, the initially selected CMRC has been notably...
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Synteza i badania strukturalne związków kompleksowych miedzi(I) i rtęci(II) z wybranymi ligandami tioamidowymi
PublikacjaPrzedstawiona rozprawa doktorska poświęcona jest związkom tiokarbonylowym (wybranym tioamidom i tiomocznikom) oraz ich połączeniom kompleksowym z halogenkami miedzi(I) i rtęci(II). Istota i cel takich badań przedstawione są we wstępie pracy. W części teoretycznej opisane zostały kluczowe pierwiastki wchodzące w skład syntezowanych związków kompleksowych (siarka, miedź i rtęć), jak również tioamidy i tiomoczniki. Szczególna uwaga...
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Mutual Coupling Reduction in Antenna Arrays Using Artificial Intelligence Approach and Inverse Neural Network Surrogates
PublikacjaThis paper presents a novel approach to reduce undesirable coupling in antenna arrays using custom-designed resonators and inverse surrogate modeling. To illustrate the concept, two stand-ard patch antenna cells with 0.07λ edge-to-edge distance are designed and fabricated to operate at 2.45 GHz. A stepped-impedance resonator is applied between the antennas to suppress their mutual coupling. For the first time, the optimum values...
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Effect of Tool Positioning Factors on the Strength of Dissimilar Friction Stir Welded Joints of AA7075-T6 and AA6061-T6
PublikacjaFriction Stir Welding (FSW) is a solid-state bonding technique. There are many direct and indirect factors affecting the mechanical and microstructural properties of the FSW joints. Tool offset, tilt angle, and plunge depth are determinative tool positioning in the FSW process. Investigating the effect of these factors simultaneously with other parameters such as process speeds (rotational speed and translational speed) and tool...
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Deformable model of a butterfly in motion on the example of Attacus atlas
PublikacjaInsect wings can undergo significant chordwise (camber) as well as spanwise (twist) deformation during flapping flight but the effect of these deformations is not well understood. The shape and size of butterfly wings leads to particularly large wing deformations, making them an ideal test case for investigation of these effects. High-speed videogrammetry was used to capture the wing kinematics and deformations. The movements of...
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Globalized parametric optimization of microwave components by means of response features and inverse metamodels
PublikacjaSimulation-based optimization of geometry parameters is an inherent and important stage of microwave design process. To ensure reliability, the optimization process is normally carried out using full-wave electromagnetic (EM) simulation tools, which entails significant computational overhead. This becomes a serious bottleneck especially if global search is required (e.g., design of miniaturized structures, dimension scaling over...
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A novel in vivo approach to assess strains of the human abdominal wall under known intraabdominal pressure
PublikacjaThe study concerns mechanical behaviour of a living human abdominal wall. A better mechanical understanding of a human abdominal wall and recognition of its material properties is required to find mechanically compatible surgical meshes to significantly improve the treatment of ventral hernias. A non-invasive methodology, based on in vivo optical measurements is proposed to determine strains of abdominal wall corresponding to...
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A chemo-mechano-thermodynamical contact theory for adhesion, friction, and (de)bonding reactions
PublikacjaThis work presents a self-contained continuum formulation for coupled chemical, mechanical, and thermal contact interactions. The formulation is very general and, hence, admits arbitrary geometry, deformation, and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy, and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the...
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Heat exchange enhancement of jet impingement cooling with the novel humped-cone heat sink
PublikacjaJet impingement cooling technology is applicable to control temperature of devices, where very high heat flux is generated within a small area. This paper is about the improvement of the jet impingement cooling efficiency by the heat sink geometry modification. Two reference cases were sourced from the literature – flat heat sink and modified one with cone in the jet stagnation region. Such a change improves cooling capability...
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Design specification management with automated decision-making for reliable optimization of miniaturized microwave components
PublikacjaThe employment of numerical optimization techniques for parameter tuning of microwave components has nowadays become a commonplace. In pursuit of reliability, it is most often carried out at the level of full-wave electromagnetic (EM) simulation models, incurring considerable computational expenses. In the case of miniaturized microstrip circuits, densely arranged layouts with strong cross-coupling effects make EM-driven tuning...
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Innovative mobile method to determine railway track axis position in global coordinate system using position measurements performed with GNSS and fixed base of the measuring vehicle
PublikacjaThe shape of the railway track axis and its position in the global coordinate system are essential when defining design parameters of the railway. Correct reconstruction of these quantities is vital for both verifying the compliance of real track parameters with the design and for diagnosing, as all track deformations can also be defined as deviations of real parameters from their design values. The measurements of quantities related...
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On Rapid Design Optimization and Calibration of Microwave Sensors Based on Equivalent Complementary Resonators for High Sensitivity and Low Fabrication Tolerance
PublikacjaThis paper presents the design, optimization, and calibration of multivariable resonators for mi-crowave dielectric sensors. An optimization technique for circular complementary split ring reso-nator (CC-SRR) and square complementary split ring resonator (SC-SRR) is presented to achieve the required transmission response in a precise manner. The optimized resonators are manufac-tured using a standard photolithographic technique...
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Bandwidth-size design trade-offs for compact spline-parameterised patch couplers by means of electromagnetic-driven multi-objective optimisation
PublikacjaBroad bandwidth and small size are the key performance figures for contemporary microwave couplers. These requirements are conflicting, i.e. improvement of one generally leads to degradation of the other assuming fixed topology of the circuit at hand. From a designer's perspective, the knowledge about available design trade-offs is indispensable as it permits for tailoring the circuit for particular applications as well as comparing...
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Recent advances in rapid multiobjective optimization of expensive simulation models in microwave and antenna engineering by Pareto front exploration
PublikacjaPractical engineering design problems are inherently multiobjective, that is, require simultaneous control of several (and often conflicting) criteria. In many situations, genuine multiobjective optimization is required to acquire comprehensive information about the system of interest. The most popular solution techniques are populationbased metaheuristics, however, they are not practical for handling expensive electromagnetic...
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Design-oriented computationally-efficient feature-based surrogate modelling of multi-band antennas with nested kriging
PublikacjaDesign of modern antenna structures heavily depends on electromagnetic (EM) simulation tools. EM analysis provides reliable evaluation of increasingly complex designs but tends to be CPU intensive. When multiple simulations are needed (e.g., for parameters tuning), the aggregated simulation cost may become a serious bottleneck. As one possible way of mitigating the issue, the recent literature fosters utilization of faster representations,...
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Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties
PublikacjaUsing 1H-imidazole-4-carboxylic acid (4imCOOH) and 1H-pyrazole-3-carboxylic acid (3pyrCOOH) coordination polymers [Pb(4imCOO)2(H2O)]n (1) and [Pb2(3pyrCOO)4]n (2) were constructed. Obtained polymers were characterized via FT-IR, X-ray, PL and TG methods. The coordination polyhedron around Pb(II) in 1 is described as distorted pentagonal pyramid with hemidirected coordination sphere (based on DFT calculations). Compound 2 consists...
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Size reduction of ultra-wideband antennas with efficiency and matching constraints
PublikacjaAntenna design is a multifaceted task that involves handling of various performance figures concerning both electrical performance of the structure as well as its geometry. Simultaneous control of several objectives through rigorous optimization is very challenging and virtually impossible through conventional approaches such as parameter sweeping. In this work, we investigate size reduction of ultra‐wideband antenna structures...
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Novel tetrahedral cobalt(II) silanethiolates: structures and magnetism
PublikacjaThree heteroleptic complexes of Co(II) tri-tert-butoxysilanethiolates have been synthesized with piperidine [Co{SSi(OtBu)3}2(ppd)2] 1, piperazine [Co{SSi(OtBu)3}2(NH3)]2(μ-ppz)·2CH3CN 2, and N-ethylimidazole [Co{SSi(OtBu)3}2(etim)2] 3. The complexes have been characterized by a single-crystal X-ray, revealing their tetrahedral geometry on Co(II) coordinated by two nitrogen and two sulfur atoms. Complexes 1 and 3 are mononuclear,...
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Image-based numerical modeling of the tensile deformation behavior and mechanical properties of additive manufactured Ti–6Al–4V diamond lattice structures
PublikacjaThis work concerns the numerical modeling of the deformation process and mechanical properties of structures obtained by the additive method laser power bed fusion (LPBF). The investigation uses diamond structures of Ti–6Al–4V titanium implantation alloy with various relative densities. To model the process of tensile deformation of the materials, geometric models were used, mapping the realistic shape of the examined structures....
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Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule
PublikacjaThe ground state geometries and vibrational frequencies as well as the excitation energies and excited state gradients of the S 1(nπ*) and S 2(ππ * ) states of trans - and cis -azobenzene are investigated by several DFT methods, namely B3LYP, PBE, M06-2X, CAM-B3LYP, and ω B97X. Excited state properties and in particular gradients are also assessed using the wave function based methods EOM-CCSD and RASPT2/RASSCF. Comparison with...
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Mechatronic Design Towards Investigation of the Temporo-Mandibular Joint Behaviour
PublikacjaA significant problem of the temporo-mandibular joint (TMJ) research is lack of data concerning geometry and position of TMJ discs. It leads to necessity of developing a driving method of the process optimization, which is based on chosen techniques of mechatronic design. In particular, the latter concerns a technique of experimentally supported virtual prototyping. On this stage, the research is characterized by well-verified...
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An asymmetrical λ-foot of condensing steam flow in the IMP PAN nozzle
PublikacjaIn the present paper we have focused on the precise prediction of the spontaneous condensation phenomena in wet steam flow. Novelty of our approach lies on modelling both the moment of initiation of a phase transition, as well as the moment of its reverse progress - called here re-vaporization of the condensate phase. The practical issue is to elaborate of a model of spontaneous condensation/vaporization of water steam flow...
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Crystal Facet Engineering of TiO2 from Theory to Application
PublikacjaRecently, the surface structure effect on photocatalytic activity has gathered increasing attention due to its reported influence on the charge carrier trapping and separation. Detailed control over the surface structure can be achieved by exposing the specific crystal facets. As a result, the photogenerated electrons and holes can be effectively separated between the different facets of semiconductor crystals. TiO2 is the most...
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Experimental and numerical identification of corrosion degradation of ageing structural components
PublikacjaThe study presents experimental and numerical identification of corrosion degradation of thin-walled structural components employing guided wave propagation. The steel structural components are subjected to through-thickness varying corrosion degradation levels. The developed approach using the non-destructive guided wave-propagation quantifies the equivalent average corrosion degradation level by exploring a limited number of...
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Rapid Re-Design and Bandwidth/Size Trade-Offs for Compact Wideband Circular Polarization Antennas Using Inverse Surrogates and Fast EM-Based Parameter Tuning
PublikacjaDesign of compact wideband circularly polarized (CP) antennas is challenging due to the necessity of simultaneous handling of several characteristics (reflection, axial ratio, gain) while maintaining a small size of the structure. Antenna re-design for various operating bands is clearly more difficult yet practically important because intentional reduction of the bandwidth (e.g., by moving the lower edge of the operating band up...
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Reduced-cost electromagnetic-driven optimisation of antenna structures by means of trust-region gradient-search with sparse Jacobian updates
PublikacjaNumerical optimisation plays more and more important role in the antenna design. Because of lack of design-ready theoretical models, electromagnetic (EM)-simulation-driven adjustment of geometry parameters is a necessary step of the design process. At the same time, traditional parameter sweeping cannot handle complex topologies and large number of design variables. On the other hand, high computational cost of the conventional...
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Accelerated multi-objective design of miniaturized microwave components by means of nested kriging surrogates
PublikacjaDesign of microwave components is an inherently multiobjective task. Often, the objectives are at least partially conflicting and the designer has to work out a suitable compromise. In practice, generating the best possible trade‐off designs requires multiobjective optimization, which is a computationally demanding task. If the structure of interest is evaluated through full‐wave electromagnetic (EM) analysis, the employment of...
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Expedited antenna optimization with numerical derivatives and gradient change tracking
PublikacjaDesign automation has been playing an increasing role in the development of novel antenna structures for various applications. One of its aspects is electromagnetic (EM)-driven design closure, typically applied upon establishing the antenna topology, and aiming at adjustment of geometry parameters to boost the performance figures as much as possible. Parametric optimization is often realized using local methods given usually reasonable...
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Expedite EM-driven generation of Pareto-optimal trade-off curves for variable-turn on-chip inductors
PublikacjaThis work presents a novel approach to computationally efficient Pareto front identification for variable-turn on-chip inductors. The final outcome is a set of solutions that correspond to the best trade-offs between conflicting design objectives. Here, we consider minimising inductor area and, simultaneously, maximising its quality factor, while maintaining a specified inductance value at a given operating frequency. As opposed...
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Editorial for the special issue on advances in forward and inverse surrogate modeling for high-frequency design
PublikacjaThe design of modern‐day high‐frequency devices and circuits, including microwave/RF, antenna and photonic components, historically has relied on full‐wave electromagnetic (EM) simulation tools. Initially used for design verification, EM simulations are nowadays used in the design process itself, for example, for finding optimum values of geometry and/or material parameters of the structures of interest. In a growing number of...
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Fast Design Closure of Compact Microwave Components by Means of Feature-Based Metamodels
PublikacjaPrecise tuning of geometry parameters is an important consideration in the design of modern microwave passive components. It is mandatory due to limitations of theoretical design methods unable to quantify certain phenomena that are important for the operation and performance of the devices (e.g., strong cross-coupling effects in miniaturized layouts). Consequently, the initial designs obtained using analytical or equivalent network...
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Improved Design Closure of Compact Microwave Circuits by Means of Performance Requirement Adaptation
PublikacjaNumerical optimization procedures have been widely used in the design of microwave components and systems. Most often, optimization algorithms are applied at the later stages of the design process to tune the geometry and/or material parameter values. To ensure sufficient accuracy, parameter adjustment is realized at the level of full-wave electromagnetic (EM) analysis, which creates perhaps the most important bottleneck due to...
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Design and computational fluid dynamics analysis of the last stage of innovative gas-steam turbine
PublikacjaResearch regarding blade design and analysis of flow has been attracting interest for over a century. Meanwhile new concepts and design approaches were created and improved. Advancements in information technologies allowed to introduce computational fluid dynamics and computational flow mechanics. Currently a combination of mentioned methods is used for the design of turbine blades. These methods enabled us to improve flow efficiency...
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Reactions of Lithiated Diphosphanes R2P−P(SiMe3)Li (R = tBu and iPr) with [MeNacnacTiCl2·THF] and [MeNacnacTiCl3]. Formation and Structure of TitaniumIII and TitaniumIV β‑Diketiminato Complexes Bearing the Side-on Phosphanylphosphido and Phosphanylphosphinidene Functionalities
Publikacjaβ-Diketiminate complexes of TiIII-containing phosphanylphosphido ligands [MeNacnacTi(Cl){η2-P(SiMe3)- PR2}] (MeNacnac− = [Ar]NC(Me)CHC(Me)N[Ar]; Ar = 2,6- iPr2C6H3) were prepared by reactions of [MeNacnacTiCl2· THF] with lithium derivatives of diphosphanes R2P−P(SiMe3) Li (R = tBu, iPr) in toluene solutions. Surprisingly, reactions of [MeNacnacTiCl2·THF] with R2P−P(SiMe3)Li in THF solutions led to TiIV complexes containing phosphanylphosphinidene ligands...
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Structural analysis and physico-chemical characterization of mononuclear manganese(II) and polynuclear copper(II) complexes with pyridine-based alcohol
PublikacjaTwo novel manganese(II) and copper(II) complexes, mononuclear [Mn(H2O)2(2-(CH2)2OHpy)2](NO3)2 (1) and polynuclear [Cu(SO4)(2-(CH2)2OHpy)2]n (2), based on 2-(hydroxyethyl)pyridine (2-(CH2)2OHpy) were synthesised and fully characterised using X-ray structure analysis as well as spectroscopic, magnetic and thermal methods. Both central metal ions Mn(1) and Cu(1) are coordinated by two N,O-donor 2-(CH2)2OHpy ligands and possess an...
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Combining Computational Fluid Dynamics with a Biokinetic Model for Predicting Ammonia and Phosphate Behavior in Aeration Tanks
PublikacjaThe aim of this study was to use computational fluid dynamics for predicting the behavior of reactive pollutants (ammonia and phosphate) in the aerobic zone of the bioreactor located at the Wschod wastewater treatment plant in Gdansk, Poland. The one-dimensional advection-dispersion equation was combined with simple biokinetic models incorporating the Monod-type expressions as source terms for the two pollutants. The problem was...
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Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study
PublikacjaThe ability to form strong intermolecular interactions by linear glucosamine polysaccharides with collagen is strictly related to their nonlinear dynamic behavior and hence bio-lubricating features. Type III collagen plays a crucial role in tissue regeneration, and its presence in the articular cartilage affects its bio-technical features. In this study, the molecular dynamics methodology was applied to evaluate the effect of...
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Efficient Simulation-Based Global Antenna Optimization Using Characteristic Point Method and Nature-Inspired Metaheuristics
PublikacjaAntenna structures are designed nowadays to fulfil rigorous demands, including multi-band operation, where the center frequencies need to be precisely allocated at the assumed targets while improving other features, such as impedance matching. Achieving this requires simultaneous optimization of antenna geometry parameters. When considering multimodal problems or if a reasonable initial design is not at hand, one needs to rely...