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Search results for: IRIDIUM COMPLEX
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Parametric FE studies on a coupled energetic-statistical size effect in plain concrete beams under bending
PublicationW artykule omówiono wyniki połączonego deterministyczno-statystycznego efektu skali w betonowych belkach podczas zginania. Obliczenia wykonano stosując MES w zakresie sprężysto-plastyczności z nielokalnym osłabieniem. Obliczenia wykonano dla różnych długości korelacji i współczynnika zmienności.
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Analysis of concrete behaviour under cycling within coupled elasto-plastic-damage with non-local softening
PublicationArtykuł omawia wyniki symulacji zachowania sie elementów betonowych poddanych cyklicznemu obciążeniu. Do symulacji zastosowano 3 połączone modele sprężysto-plastyczne z degradacją sztywności i z nielokalnym osłabieniem. Wyniki symulacji porównano z doświadczeniami laboratoryjnymi..
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FE analysis of a coupled energetic-statistical size effect in plain concrete beams with varying material properties.
PublicationThe numerical FE investigations of a coupled energetic-statistical size effect in unnotched concrete beams of similar geometry under quasi-static three point bending were performed within elasto-plasticity with non-local softening. The stochastic FE analyses were carried out with three different beam sizes. Deterministic calculations were performed with the uniform distribution of a uniaxial tensile strength. In statistical calculations...
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Simulations of hydro-fracking in rock mass at meso-scale using fully coupled DEM/CFD approach
PublicationThe paper deals with two-dimensional (2D) numerical modelling of hydro-fracking (hydraulic fracturing) in rocks at the meso-scale. A numerical model was developed to characterize the properties of fluid-driven fractures in rocks by combining the discrete element method (DEM) with computational fluid dynamics (CFD). The mechanical behaviour of the rock matrix was simulated with DEM and the behaviour of the fracturing fluid flow...
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Modelling of Capillary Pressure-driven Water Flow in Unsaturated Concrete Using Coupled DEM/CFD Approach.
PublicationSformułowano nowatorskie, połączone podejście do modelowania dwufazowego przepływu wody napędzanego kapilarami w nienasyconym betonie. Dzięki połączeniu metody elementów dyskretnych (DEM) z obliczeniową dynamiką płynów (CFD) w warunkach izotermicznych proces został zbadany numerycznie w mezoskali w warunkach dwuwymiarowych. Niewielkie próbki betonu o uproszczonej mezostrukturze cząstek poddano w pełni sprzężonym hydromechanicznym...
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Effect of gas content in macropores on hydraulic fracturing in rocks using a fully coupled DEM/CFD approach
PublicationW pracy skupiono się na wpływie zawartości gazu w makroporach skał na proces szczelinowania hydraulicznego. Proces został zasymulowany przez połączenie metody elementów dyskretnych (DEM) z obliczeniową dynamiką płynów (CFD) w ramach dwuwymiarowych (2D) warunków izotermicznych. Mechaniczne zachowanie skały zostało zasymulowane za pomocą DEM, a CFD została wykorzystana do opisu zachowanie przepływu laminarnego, dwufazowego płynu...
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Syntheses and structures of the first terminal phosphanylphosphido complex of hafnium [cp2hf(cl){η1-(me3si)p-p(net2)2}] and the firstzirconocene-phosphanylphosphinidene dimer [cp2zr{μ2-p-p(net2)2}2zrcp2]
PublicationReactions of (Et2N)2P-P(SiMe3)Li with [Cp2MCl2] (M= Zr, Hf) in toluene or pentane yield the related terminal phosphanylphosphido complexes [Cp2M(Cl){η1-(Me3Si)P-P(NEt2)2}]. The solid statestructure of [Cp2Hf(Cl){η1-(Me3Si)P-P(NEt2)2}] was established by single crystal X-ray diffraction. The reaction of (Et2N)2P-P(SiMe3)Li with [Cp2ZrCl2] in THF or DME solutions leads to the formationof deep red crystals of the first neutral diamagnetic...
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Relatively high-Seebeck thermoelectric cells containing ionic liquids supplemented by cobalt redox couple
PublicationMeanwhile no general and reliable equation determining the Seebeck coefficient (S e ) and involving electro-chemical reaction effects was derived for solutions. We reported the database of 15,000 ionic liquids supplemented by three different redox couple systems: 0.01 mol/l Co 3+/2+ (bpy) 3 , 0.01 mol/l I 3-/3I- and 0.2 mol/l 3- /3I- , and the corresponding estimated Seebeck coefficients. We also reported methods for estimating...
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Buckling Analysis of a Micro Composite Plate with Nano Coating Based on the Modified Couple Stress Theory
PublicationThe present study investigates the buckling of a thick sandwich plate under the biaxial non-uniform compression using the modified couple stress theory with various boundary conditions. For this purpose, the top and bottom faces are orthotropic graphene sheets and for the central core the isotropic soft materials are investigated. The simplified first order shear deformation theory (S-FSDT) is employed and the governing differential...
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Recent achievements in chemical hydride generation inductively coupled and microwave induced plasmas with optical emission spectrometry detection
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Extension of the Unres Package for Physics-Based Coarse-Grained Simulations of Proteins and Protein Complexes to Very Large Systems
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Determination of fluoroacetate and fluoride in blood serum by capillary zone electrophoresis using capacitively coupled contactless conductivity detection
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A multi-pulse diode rectifier with a coupled three-phase reactor and additional small shunt active power filter
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Supply system based on the 18-pulse diode rectifier with coupled reactors and integrated with the series active power filter
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Effect of Double-Slope Modulation Signals on Conducted Emissions and Efficiency of Strongly Coupled Magnetic Resonance WPT Systems
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Large scale complementary solar and wind energy sources coupled with pumped-storage hydroelectricity for Lower Silesia (Poland)
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Highly thermostable RadA protein from the archaeon Pyrococcus woesei enhances specificity of simplex and multiplex PCR assays
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Complete Mesogastric Excisions Involving Anatomically Based Concepts and Embryological-Based Surgeries: Current Knowledge and Future Challenges
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Reaction of methanol ligated manganese(II) silanethiolate with pyridine related ligands - different structures of complexes with MnNO2S2 kernel
PublicationReakcja silanotiolanu manganu(II) z pirydyną i jej metylowymi pochodnymi prowadzi do uzyskania heteroleptycznych kompleksów o tym samym rdzeniu MnNO2S2, ale o różnym typie strukturalnym. W przypadku posłużenia się pirydyną i 2-metylopirydyną uzyskano układy zawierające dwie cząsteczki alkoholu przykoordynowane do centrum metalicznego. Z kolei w przypadku 3- i 4-metylopirydyny funkcję S,O-donorów spełniają reszty silanotiolanowe.
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Broad-Range Spectral Analysis for Chiral Metal Coordination Compounds: (Chiro)optical Superspectrum of Cobalt(II) Complexes
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Practical Method for the Absolute Configuration Assignment of tert/tert 1,2-Diols Using Their Complexes with Mo2(OAc)4
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Long-Term Follow-Up after Laparoscopic Uterovestibular Anastomosis in Patients with Cervical Atresia and Complete Absence of the Vagina
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The acid strength of the datively bound complexes involving AlF3 lone pair acceptor and various lone pair donors
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Headspace Solid-Phase Microextraction Coupled with Gas Chromatography–Mass Spectrometry for the Determination of Volatile Organic Compounds in Urine
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Biomimetic zinc(II) and cobalt(II) complexes with tri-tert-butoxysilanethiolate and imidazole ligands – Structural and spectroscopic studies
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Synthetic, Structural, and Spectroscopic Characterization of a Novel Family of High-Spin Iron(II) [(β-Diketiminate)(phosphanylphosphido)] Complexes
PublicationThis work describes a series of iron(II) phosphanylphosphido complexes. These compounds were obtained by reacting lithiated diphosphanes R2PP(SiMe3)Li (R = t-Bu, i-Pr) with an iron(II) β-diketiminate complex, [LFe(μ2-Cl)2Li(DME)2] (1), where DME = 1,2-dimethoxyethane and L = Dippnacnac (β-diketiminate). While the reaction of 1 with t-Bu2PP(SiMe3)Li yields [LFe(η1-Me3SiPPt- Bu2)] (2), that of 1 with equimolar amounts of i-Pr2PP(SiMe3)Li,...
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Harmonic Vibrations of Nanosized Magnetoelectric Bodies with Coupled Surface and Interphase Effects: Mathematical Models and Finite Element Approaches
PublicationThe harmonic problems for piezomagnetoelectric nanosized bodies with taking into account the coupled damping and surface effects are considered on the base of the generalized Gurtin-Murdoch model. In the development of previous investigations, the coupled mechanical, electric and magnetic surface effects with surface inertial terms are introduced into the model. For a homogeneous model, the composite material is considered as homogeneous...
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Striving for spatial energy efficiency in dwelling complexes. Kształtowanie przestrzennej efektywności energetycznej w zespołach zabudowy mieszkaniowej.
PublicationThe main aim of this article was to discover the key characteristics in shaping most rewarded eco- district complexes built respectively in temperate climate zone in respect to spatial energy efficiency and resilience principles. It was done through careful case studies, comparative analysis and juxtaposition of critical parameters related to spatial energy efficiency and resilience in chosen representative dwelling complexes....
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Biomimetic zinc(II) and cobalt(II) complexes with tri-tert-butoxysilanethiolate and imidazole ligands - structural and spectroscopic studies.
PublicationNowe heteroleptyczne kompleksy tri-tert-butoksysilanotiolanowe Zn(II) i Co(II) z dodatkowymi ligandami imidazolowymi zostały scharakteryzowane strukturalnie i spektralnie. Otrzymano kompleksy o różnych centrach koordynacji w zależności od ligandów imidazolowych. Dla jonów Co(II)otrzymano kompleksy o rdzeniach: NOS2 (z cząsteczką metanolu jako O-donorowy ligand) w związku 2', NO2S2 w 2'', N2S2 w 1, zaś w przypadku jonów Zn(II):...
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Body fat, energy balance and estradiol levels: a study based on hormonal profiles from complete menstrual cycles
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Single-Step Symmetrical Double Alkylation of β,γ-Unsaturated δ-Lactams via Magnesium ‘Ate’ Complexes
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Investigations of ternary complexes of Co(II) and Ni(II) with oxydiacetate anion and 1,10-phenanthroline or 2,2′-bipyridine in solutions
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Construction of heterometallic and mixed-valence copper(I/II) chloride π-complexes with 1,2,4-triazole allyl-derivative
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Behavior Based Complete Coverage Task of Unknown Area by an Autonomous Mobile Robot SCORPION with Static Obstacles in Environment
PublicationIn the paper the behavior based control system of an autonomous mobile robot SCORPION is presented to execute the one of the most difficult navigation task, which is the complete coverage task of unknown area with static obstacles in the environment. The main principle assumed to design control system was that the robot should cover all area only once, if it possible, to optimize the length of path and energy consumption. All commercial...
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Influence of temperature and interactions with ligands on dissociation of dsDNA and ligand-dsDNA complexes of various types of binding : an electrochemical study.
PublicationSeveral medicinally important compounds that bind to dsDNA strands via intercalation (C-1311, C-1305, EtBr), major groove binding (Hoechst 33258) and covalent binding (cis-Pt) were examined. The obtained results suggest that both the transfer of conformation B to C and the denaturation process, for the ligand-dsDNA complexes, except for covalently bound cis-Pt, took place at higher temperatures compared to the unbound helix. Furthermore,...
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Enhanced coupled elasto-plastic-damage models to describe concrete behaviour in cyclic laboratory tests: comparison and improvement.
PublicationArtykuł omawia różne modele połączone sprężysto-plastyczne z degradacją sztywności do opisu zachowania się betonu pod obciążeniem cyklicznym. Modele zostały rozszerzone o długość charakterystyczną mikrostruktury w do opisu lokalizacji odkształceń. Wykonano obliczenia MES dla ściskania i zginania. Zaproponowano własny ulepszony model.
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Comparison of the coordination geometries of Zn(II) and Cd(II) ions in complexes with water, methanol and bulky aryloxysilanethiolate ligands
PublicationZinc and cadmium complexes containing silanethiolate anions and methanol or water were synthesized and characterized by X-ray diffraction, FT-IR and NMR spectroscopy, and DFT calculations. Contrary to zinc, the cadmium ion utilizes very weak donors to complete its coordination sphere; it forms contacts to phenyl rings of the silanethiolate ligand. Two zinc analogs of the general formula [Zn{SSi(OAr)3}2(L)2] where L = CH3OH (2)...
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Fast-SEC coupled to ICP-MS for selected metal determination and its stability over time in polish wine
PublicationMetal ions contribute to the wine browning (as reaction catalysts), turbidity (in complexes), and astringency (due to inter- action with tannins). Being aware that bioavailability and metabolism of metal ions in the human body are strictly related with their concentration and the form they occur it is important to monitor not only the total content of metals but also their speciation. Thus, we can obtain more information about...
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Volterra series usefulness in modelling of the time-domain cross-talk phenomena in coupled microstrip lines with nonlinear termination
PublicationW pracy przedyskutowano możliwość wykorzystania szeregów Volterry do analizy zjawiska przesłuchu w sprzężonych liniach mikropaskowych z nieliniowym obciążeniem. Apracowano algorytm metody, zaś uzyskane wyniki numeryczne zweryfikowano poprzez porównania z wynikami badań eksperymentalnych linii obciążonych w torze transmisyjnym diodą Schottky'ego.
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublicationWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Copper(II) complexes of 7-amino-2-methylchromone and 7-aminoflavone: Magneto-structural, spectroscopic and DFT characterization
PublicationFour new complexes of copper(II) consisting of two different chromone derivatives with carbonyl and amine donor atoms: 7-aminoflavone (L1) and 7-amino-2-methylchromone (L2), were synthesized and characterized by X-ray diffraction, UV–Vis, FT-IR, EPR spectroscopy, MS and elemental analysis. In all four compounds, the chromone derivatives were found to act as monodentate O- or N-ligands. The structural characteristics of 1a and...
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Post-Chromatographic Derivatization Coupled with Mass Spectrometry as a Method of Profiling and Identification of Antioxidants; Ligustrum vulgare Phytocomplex as an Example
PublicationHigh-performance liquid chromatography (HPLC) and high-performance thin-layer chromatography (HPTLC) coupled with radical scavenging assays, such as 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid (ABTS) can be both used for the detection of the antioxidants in plant extracts. In this study, the ethanolic (70% v/v) extracts from different morphological parts of Ligustrum vulgare collected...
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Very accurate time propagation of coupled Schrödinger equations for femto- and attosecond physics and chemistry, with C++ source code
PublicationIn this article, I present a very fast and high-precision (up to 33 decimal places) C++ implementation of the semi-global time propagation algorithm for a system of coupled Schrödinger equations with a time-dependent Hamiltonian. It can be used to describe time-dependent processes in molecular systems after excitation by femto- and attosecond laser pulses. It also works with an arbitrary user supplied Hamiltonian and can be used...
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Frequency-Variant Double-Zero Single-Pole Reactive Coupling Networks for Coupled-Resonator Microwave Bandpass Filters
PublicationIn this work, a family of frequency-variant reactive coupling (FVRC) networks is introduced and discussed as new building blocks for the synthesis of coupled-resonator bandpass filters with real or complex transmission zeros (TZs). The FVRC is a type of nonideal frequency-dependent inverter that has nonzero elements on the diagonal of the impedance matrix, along with a nonlinear frequency-variation profile of its transimpedance...
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Induction of immune responses in sheep by vaccination with liposome-entrapped DNA complexes encoding Toxoplasma gondii MIC3 gene
PublicationToxoplasma gondii is a parasite that has been extensively studied due to its medical and veterinary importance in terminating pregnancies. Consequently, a satisfactory vaccine is required to control itsadverse effects on pregnant animals. The microneme protein, MIC3, is a major adhesion protein that binds to the surface of host cells and parasites, and is therefore a potential vaccine against T. gondii.The viability of MIC3 as...
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FE investigations of the effect of fluctuating local tensile strength on coupled energetic-statistical size effect in concrete beams
PublicationThe effect of fluctuating local tensile strength on a coupled energetic-statistical size effect in plain concrete beams under bending was numerically investigated. First, the influence of varying autocorrelation length of the random field describing a spatial variation of local tensile strength was studied. Next, the influence of the coefficient of variation of local tensile strength was analyzed. The numerical FE investigations...
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Coupled elasto-plastic-damage model with non-local softening enhanced by viscosity to describe dynamic concrete behaviour
PublicationW artykule zaproponowano model do opisu betonu podczas dynamicznego obciążenia. Przyjęto model sprężysto-plastyczny z degradacją sztywności i nielokalnym osłabieniem rozszerzony o lepkość. Obliczenia MES dla elementów betonowych pod obciążeniem dynamicznym o różnej prędkości obciążenia porównano z doświadczeniami.
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Strong-coupling superconductivity of SrIr2 and SrRh2 : Phonon engineering of metallic Ir and Rh
PublicationExperimental and theoretical studies on superconductivity in SrIr2 and SrRh2 Laves phases are presented. The measured resistivity, heat capacity, and magnetic susceptibility confirm the superconductivity of these compounds with Tc = 6.07 and 5.41 K, respectively. Electronic structure calculations show that the Fermi surface is mostly contributed by 5d (4d) electrons of Ir (Rh), with Sr atoms playing the role of electron donors....
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Study of Slip Effects in Reverse Roll Coating Process Using Non-Isothermal Couple Stress Fluid
PublicationThe non-isothermal couple stress fluid inside a reverse roll coating geometry is considered. The slip condition is considered at the surfaces of the rolls. To develop the flow equations, the mathematical modelling is performed using conservation of momentum, mass, and energy. The LAT (lubrication approximation theory) is employed to simplify the equations. The closed form solution for velocity, temperature, and pressure gradient...
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The Unique Mechanisms of Cellular Proliferation, Migration and Apoptosis are Regulated through Oocyte Maturational Development—A Complete Transcriptomic and Histochemical Study
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