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Cobalt(II) tri-tert-butoxysilanethiolates: in search of models for catalytic metal site of liver alcohol dehydrogenase
PublicationPrzeprowadzono syntezę trzech kompleksów: [Co{SSi(OBut)3}2(NH3)(L-pic)],[Co{SSi(OBut)3}2(NH3)2]xMeCN i [Co{SSi(OBut)3}3(H2O)][NHEt3]. Kompleksy są monomeryczne, dla nich wyznaczono strukturę krystalograficzną. Kompleks [Co{SSi(OBut)3(NH3)(L-pic)] o rdzeniu CoN2OS2 posiada dwa różne ligandy azotowe, zaś [Co{SSi(OBut)3(L-pic)] stanowi substrat do syntezy związku modelującego centrum katalityczne LADH.
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Dicyclohexylammonium benzenethiolate. Acta Cryst. Sect. E Struct. Rep. [on-line]**2003 vol. 59 s. o765-o766, 2 rys. 2 tab. bibliogr. 11 poz. tiofenolan dicykloheksyloamoniowy.
PublicationZwiązek o wzorze C12H24N+ x C6H5S- został otrzymany poprzez reakcję tiofeno-lu z dicykloheksyloaminą. Oba fragmenty jonowe powiązane są w długie łańcu-chy poprzez wiązania N-H...S. Strukturę cząsteczkową i krystaliczną wyzna-czono posługując się rentgenowską analizą strukturalną.
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Cubane Like Structure of a Silanethiol Primary Amine Assembly a Novel, Unusual Hydrogen Bond Pattern.
PublicationMetodą rentgenowskiej analizy strukturalnej wyznaczono struktury krystaliczne i cząsteczkowe trzech soli amoniowych: (t-BuO)3SiS(-)H3N(+)Bu-t, (i-PrO)3SiS(-)H3N(+)Bu-t i (t-BuO)3SiS(-)H3N(+)(CH2)2CH(CH3)2. Wszystkie trzy związki w ciele stałym tworzą tetramery w których atomy S i N wyznaczają w przybliżeniu naroża sześcianu. Trwałość tych agregatów, oprócz sił elektrostatycznego przyciągania, zapewnia sieć wiązań wodorowych N-H
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Triangulation-based Constrained Surrogate Modeling of Antennas
PublicationDesign of contemporary antenna structures is heavily based on full-wave electromagnetic (EM) simulation tools. They provide accuracy but are CPU-intensive. Reduction of EM-driven design procedure cost can be achieved by using fast replacement models (surrogates). Unfortunately, standard modeling techniques are unable to ensure sufficient predictive power for real-world antenna structures (multiple parameters, wide parameter ranges,...
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Current trends in consumption of multimedia content using online streaming platforms: A user-centric survey
PublicationIn its early days, consumption of multimedia content was only possible at a stationary terminal device. The music player was located at home, and had to have a physical drive. Over the last decade, there has been an enormous increase in the number of online streaming platforms. These services enable users to consume rich multimedia content on various devices. Thanks to the widespread and availability of portable devices, any person...
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Deep learning in the fog
PublicationIn the era of a ubiquitous Internet of Things and fast artificial intelligence advance, especially thanks to deep learning networks and hardware acceleration, we face rapid growth of highly decentralized and intelligent solutions that offer functionality of data processing closer to the end user. Internet of Things usually produces a huge amount of data that to be effectively analyzed, especially with neural networks, demands high...
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Overview of Approaches for Compensating Inherent Metamaterials Losses
PublicationMetamaterials are synthetic composite structures with extraordinary electromagnetic properties not readily accessible in ordinary materials. These media attracted massive attention due to their exotic characteristics. However, several issues have been encountered, such as the narrow bandwidth and inherent losses that restrict the spectrum and the variety of their applications. The losses have become the principal limiting factor...
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A Geometrically Simple Compact Wideband Circularly Polarized Antenna
PublicationA compact broadband wide-slot circular polarization (CP) antenna is proposed. An inverted L-shape parasitic strip at the open end of a microstrip line extension and a slot modification is applied to attain wideband CP. The advantage of this technique is simplicity which makes it readily re-designable for different frequency bands. To demonstrate the concept, three designs working at different frequencies are obtained. The redesign...
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Evaluation of Chemotherapeutic Activity of the Selected Bases’ Analogues of Nucleic Acids Supported by ab initio Various Quantum Chemical Calculations
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Pharmacological Classification and Activity Evaluation of Furan and Thiophene Amide Derivatives Applying Semi-Empirical ab initio Molecular Modeling Methods
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Biological Activity of Compounds Exhibiting Local Anesthetics's Properties Evaluated by QSAR Approach
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QSAR Analysis of Compounds Exhibiting General Anesthetics’ Properties
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Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones
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Activity evaluation of some psychoactive drugs with the application of QSAR/QSPR modeling methods
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QSAR Analysis of Selected Antimicrobial Structures Belonging to Nitro-derivatives of Heterocyclic Compounds
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The comparison of semiempirical and ab initio molecular modeling methods in activity and property evaluation of selected antimicrobial sulfonamides
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QSPR analysis of some agonists and antagonists of α-adrenergic receptors
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Activity Evaluation and Selection of Some Classes of Antibiotics with the use of Semi-Empirical Quantum Mechanics and Quantitative Structure- Activity Relationships Approach
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Continuum contact model for friction between graphene sheets that accounts for surface anisotropy and curvature
PublicationUnderstanding the interaction mechanics between graphene layers and co-axial carbon nanotubes (CNTs) is essential for modeling graphene and CNT-based nanoelectromechanical systems. This work proposes a new continuum contact model to study interlayer interactions between curved graphene sheets. The continuum model is calibrated and validated using molecular dynamics (MD) simulations. These are carried out employing the reactive...
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Biomimetic torene shells
PublicationThe genome inside the eukaryotic cells is guarded by a unique shell structure, called the nuclear envelope (NE), made of lipid membranes. This structure has an ultra torus topology with thousands of torus-shaped holes that imparts the structure a high flexural stiffness. Inspired from this biological design, here we present a novel ‘‘torene’’ architecture to design lightweight shell structures with ultra-stiffness for engineering...
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On topology optimization of large deformation contact-aided shape morphing compliant mechanisms
PublicationA topology optimization approach for designing large deformation contact-aided shape morphing compliant mechanisms is presented. Such mechanisms can be used in varying operating conditions. Design domains are described by regular hexagonal elements. Negative circular masks are employed to perform dual task, i.e., to decide material states of each element and also, to generate rigid contact surfaces. Each mask is characterized by...
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Nonlinear material identification of heterogeneous isogeometric Kirchhoff–Love shells
PublicationThis work presents a Finite Element Model Updating inverse methodology for reconstructing heterogeneous materialdistributions based on an efficient isogeometric shell formulation. It uses nonlinear hyperelastic material models suitable fordescribing incompressible material behavior as well as initially curved shells. The material distribution is discretized by bilinearelements such that the nodal values...
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Możliwości redukcji przebiegowego zużycia paliwa przy zastosowaniu elektronicznych systemów wspomagających kierowców
PublicationElektroniczne systemy wspomagające kierowcę pomagają kierującym kontrolować sytuację na drodze, przekazują sygnały do układu hamulcowego i napędowego, rozpoznają znaki drogowe, pozwalają utrzymać odpowiedni dystans w czasie jazdy w kolumnie, a także kontrolują położenie pojazdu na pasie ruchu. Elek-troniczne systemy wspomagające kierowcę pomagają również zmniejszyć przebiegowe zużycie paliwa, poprzez odpowiednie sterowanie układem...
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Physical and sealing properties of BaO–Al2O3–SiO2–CaO–V2O5 glasses for solid oxide fuel cell applications
PublicationIn this study, the properties of BaO–Al2O3–SiO2 (SAB) glasses incorporated with CaO and V2O5 as the network modifier and additive, respectively, are evaluated. The electrical resistivities of the glasses decrease upon the addition of CaO but increase upon increasing their V2O5 content because the V5+ species lower the ionic mobility of the glasses. The addition of V2O5 improves the wettability of the glasses on the Crofer 22 APU...
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Effective yttrium based coating for steel interconnects of solid oxide cells: Corrosion evaluation in steam-hydrogen atmosphere
PublicationThis work describes manufacture, analysis and test of a new well conducting corrosion-protection coating that can be applied on steel types with high chromium content. Electrolytic deposition of yttrium salts is used to form thin (<100 nm) coatings on both flat steel sheets (material: Crofer 22 APU) and its properties are proven on woven wire-meshes (materials from two different sources: SUS316 and SUS316L). The oxide scale on...
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Nonlinear secondary arc model use for evaluation of single pole auto-reclosing effectiveness
PublicationPurpose – The purpose of this paper is to discuss two evaluation methods of single pole autoreclosing process effectiveness in HV transmission lines. Secondary arc current and recovery voltage results obtained by load flow calculation are compared to the results obtained by the time domain simulations. Moreover, a nonlinear secondary arc implementation is presented. Design/methodology/approach – A computer simulation studies were...
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One More Step Towards a Circular Economy for Thermal Insulation Materials—Development of Composites Highly Filled with Waste Polyurethane (PU) Foam for Potential Use in the Building Industry
PublicationThe rapid development of the building sector has created increased demand for novel materials and technologies, while on the other hand resulting in the generation of a severe amount of waste materials. Among these are polyurethane (PU) foams, which are commonly applied as thermal insulation materials. Their management is a serious industrial problem, due to, for example, their complex chemical composition. Although some chemical...
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A novel and efficient synthesis of unsymmetrical disulfides
PublicationOpracowano metodę otrzymywania niesymetrycznych disulfidów z odpowiednich tioli w oparciu o bromek sulfenylowy.
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Design of a Multidomain IMS/NGN Service Stratum
PublicationThe paper continues our research concerning the Next Generation Network (NGN), which is standardized for delivering multimedia services with strict quality and includes elements of the IP Multimedia Subsystem (IMS). A design algorithm for a multidomain IMS/NGN service stratum is proposed, which calculates the necessary CSCF servers CPU message processing times and link bandwidths with respect to the given maximum values of mean...
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Rapid simulation-driven design of miniaturised dual-band microwave couplers by means of adaptive response scaling
PublicationOne of the major challenges in the design of compact microwave structures is the necessity of simultaneous handling of several objectives and the fact that expensive electromagnetic (EM) analysis is required for their reliable evaluation. Design of multi-band circuits where performance requirements are to be satisfied for several frequencies at the same time is even more difficult. In this work, a computationally efficient design...
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Evaluation of high-frequency roughness measurement errors for composite and ceramic surfaces after machining
PublicationPrecise characterisation of surface topography is of the greatest importance since many factors directly affect the accuracy of the whole measurement process. In this paper, the variety of surface topographies from machined composite and ceramic workpieces was studied with a special emphasis on the measurement results. Surfaces were subjected to the ground diamond, honing and milling processes. Measurement results were analysed...
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Asymmetrical-Slot Antenna with Enhanced Gain for Dual-Band Applications
PublicationDual-band operation is an important feature of antennas to be applied in modern communication systems. Although high gain of radiators is rarely of concern in urban areas with densely located broadcasting stations, it becomes crucial for systems operating in more remote environments. In this work, a dual-band antenna with enhanced bandwidth is proposed. The structure consists of a driven element in the form of an asymmetrical radiator/slot...
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Diagonalized Macromodels in Finite Element Method for Fast Electromagnetic Analysis of Waveguide Components
PublicationA new technique of local model-order reduction (MOR) in 3-D finite element method (FEM) for frequency-domain electromagnetic analysis of waveguide components is proposed in this paper. It resolves the problem of increasing solution time of the reduced-order system assembled from macromodels created in the subdomains, into which an analyzed structure is partitioned. This problem becomes particularly relevant for growing size and...
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Numerically Efficient Miniaturization-Oriented Optimization of an Ultra-Wideband Spline-Parameterized Antenna
PublicationDesign of ultra-wideband radiators for modern handheld applications is a challenging task that involves not only selection of an appropriate topology, but also its tuning oriented towards balancing the electrical performance and size. In this work, a low-cost design of a compact, broadband, spline-parameterized monopole antenna has been considered. The framework used for the structure design implements trust-region-based methods,...
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An Innovative Antenna Array with High Inter Element Isolation for Sub-6 GHz 5G MIMO Communication Systems
PublicationA novel technique is shown to improve the isolation between radiators in antenna arrays. The proposed technique suppresses the surface-wave propagation and reduces substrate loss thereby enhancing the overall performance of the array. This is achieved without affecting the antenna’s footprint. The proposed approach is demonstrated on a four-element array for 5G MIMO applications. Each radiating element in the array is constituted...
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Di-{bis(tri-tert-butoxysilanethiolato-S)(dimethylformamide-O)cadmium(II)}-μ-trans-1,2-di-4-pyridylethene-κ2N:N'
PublicationW przypadku tytułowego związku di-{bis(tri-tert-butoksysilanotiolano-S)(dimetylformamid-O)kadm(II)}-μ-trans-1,2-di-4-pirydyloeten [Cd(C12H27O3SSi)4(C3H7NO)2(C12H10N2)], centralny atom kadmu jest skoordynowany z czterema atomami donorowymi, tworząc rdzeń typu CdNOS2. Jest to pierwszy kompleks Cd(II) o tego typu centrum i ze względu na obecność dwóch reszt tiolanowych, N- i O-donora może on służyć za model centrum katalitycznego...
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Redetermination of bis(O,O′-diethyl dithiophosphato-κ2S,S′)nickel(II)
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In search of molecular precursors for cadmium sulfide-new complexes with a sulfur-rich kernel: cadmium(II) tri-tert-butoxysilanethiolates with additional diethyldithiocarbamato ligand
PublicationW ramach rozprawy opracowano metodę syntezy związków koordynacyjnych kadmu zawierających mieszane ligandy S-donorowe, które stanowią reszta tri-tert-butoksysilanotiolanowa oraz ditiokarbaminianowa. Zostały one poddane badaniom za pomocą analizy składu pierwiastkowego, metod spektroskopowych (FTIR, FIR, UV-Vis, NMR, MS) oraz termicznych. W celu osadzenia cienkich warstw wybranych związków posłużono się techniką nakładania obrotowego...
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Oligopeptide antifungals are exceptionally active against multidrug-resistant yeast
PublicationPermeazy peptydowe w komórkach drożdżowych są zdolne do transportu do wnętrza komórek oligopeptydów, zawierających w swojej strukturze niebiałkowe aminokwasy o właściwościach przeciwgrzybowych. Wśród szerokiego wachlarza tego rodzaju związków przebadanych pod względem aktywności biologicznej na wielolekoopornych komórkach drożdżowych, zaobserwowano liczna grupę, wykazującą zwiększoną aktywność względem komórek eksprymujących transportery...
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Chlorido(4-morpholinecarbodithioato-k2S,S')(triphenylphosphine)nickel(II)
PublicationPrzeprowadzono syntezę oraz wyznaczono strukturę związku [Ni(C5H8NOS2)Cl(C18H15P)]. Tytułowy kompleks chloro(morfolinoditiokarbaminiano-S,S')(trifenylofosfina)-nikiel(II) posiada nieznacznie zniekształcony płaski kwadratowy rdzeń NiClS2P.
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Heteroleptic tri-tert-butoxysilanethiolate complexes of manganese(II) - thermal studies
PublicationThe thermal behavior of Mn(II) silanethiolate series [Mn(SR)2L(MeOH)n], where R=SSi(OBut)3, L=heterocyclic nitrogen base and n=0, 1 or 2 has been comparatively investigated using differential scanning calorimetry (DSC), thermogravimetry (TG) and TG-infrared spectoscopy (IR) techniques. The TG curves indicate the differences in the thermal decomposition due to presence of distinct N-donor ligands and labile MeOH molecules coordinated...
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Chlorido(1-pyrrolidinecarbodithioato-k2S,S')(triphenylphosphine)nickel(II)chloroform hemisolvate
PublicationTytułowy kompleks chloro(1-pirolidynoditiokarbaminiano-S,S')(trifenylofosfina)-nikiel(II), będący hemisolwatem chloroformu zawiera płaski rdzeń o składzie NiClS2P. Molekuły chloroformu oddziałują z kompleksem poprzez słabe wiązania C-H...S.
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Tris(1-pyrrolidinylcarbodithioato-S,S')-cobalt(III) chloroform disolvate
PublicationTytułowy kompleks tris(1-pirolidynoditiokarbaminiano-S,S')-kobalt(III), będący disolwatem chloroformu zawiera Co(III) oktaedrycznie skoordynowany przez trzy reszty ditiokarbaminowe. Molekuły chloroformu zaangażowane są w tworzenie cząsteczkami kompleksu oddziaływań typu C-H...S
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Crystal and molecular structure of bis(O,O'-diethyldithiophosphato-S,S')nickel(II): A redetermination
PublicationDoniesienie przedstawia ponownie wyznaczoną strukturę tytułowego, centrosymetrycznego kompleksu, [Ni{S2P(OC2H5)2}2]. Centralny rdzeń (S2P)2 jest płaski, co potwierdza wcześniejsze wyniki uzyskane przez McConnell'a i Kastalsky'ego, przy czym odchylenia standardowe są około siedmiokrotnie mniejsze oraz wyznaczono wszystkie pozycje atomów wodoru. W strukturze krystalicznej zaobserwowano róznież parę krótkich kontaktów HH (2.33 Å).
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Thermal decomposition of [Cd{SSi(OBut)3}(S2CNC4H8)]2 to CdS “micro-noodles”
PublicationThis work presents studies on thermal degradation of novel heteroleptic complex possessing mixed S-donor ligands, [Cd{SSi(OBut)3}(S2CNC4H8)]2 using TGA, DSC, TGA-IR, SEM and XRD methods.
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New photocatalyst for decomposition of humic acids in photocatalysis and photo-Fenton processes
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Implementation of power transformer controlled switching algorithm
PublicationThe article presents two new algorithms of controlled switching the power transformer. The main aim of the paper is to obtain formulas that determine the moments of closing of the circuit breaker poles. The study contains projects of control systems for both algorithms. Mathematical formulas for the time instants of the breaker poles closing were developed on the basis of electric circuit theory and magnetic circuit theory. The...
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Friction-Induced Oscillations of a Non-Asbestos Organic Pin Sliding on a Steel Disc
PublicationFriction-induced oscillations result in deterioration of performance of disc brakes and are generally undesired. We conduct experimental study of friction-induced oscillations in a non-asbestos organic material / steel pair used in disc brakes of motor vehicles. The tests are done by use of a pin-on-disc machine which has the pin sample supported on a deformable beam. The adjustable friction parameters are the disc velocity, contact...
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A design framework for rigorous constrained EM-driven optimization of miniaturized antennas with circular polarization
PublicationCompact radiators with circular polarization are important components of modern mobile communication systems. Their design is a challenging process which requires maintaining simultaneous control over several performance figures but also the structure size. In this work, a novel design framework for multi-stage constrained miniaturization of antennas with circular polarization is presented. The method involves sequential optimization...
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Response to David Steigmann’s discussion of our paper
PublicationWe respond to David Steigmann's discussion of our paper "A general theory for anisotropic Kirchhoff-Love shells with in-plane bending of embedded fibers, Math. Mech. Solids, 28(5):1274-1317" (arXiv:2101.03122). His discussion allows us to clarify two misleading statements in our original paper, and confirm that its formulation is fully consistent with the formulation of Steigmann. We also demonstrate that some of our original statements...