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Wyniki wyszukiwania dla: FRUSTRATED LEWIS PAIRS
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Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid
PublikacjaThe first example of CO2 diphosphination is described. Reactions of unsymmetrical diphosphanes with CE2 (E = O, S) catalyzed by BPh3 insert a CE2 molecule into the P-P bond with formation of the products of the general formula R2P-E-C(=E)-PR2. The obtained CO2 adducts arise from synergistic interaction of diphosphane and borane with CO2 molecule.
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Reactivity of bulky aminophosphanes towards small molecules: Activation of dihydrogen and carbon dioxide by aminophosphane/borane frustrated Lewis pairs
PublikacjaA series of mono- and bisaminophosphanes with formulas R2NPR’R’’ and (R2N)2PR’ (R = iPr, Cy; R’ = Ph, Cy; R’’ = iPr) were characterized by X-ray analysis, NMR spectroscopy and computational methods. The common structural futures of these species are short and polarized PAN bonds, a pyramidal geometry at the P atom and an almost planar geometry at the N atoms. According to DFT calculations, these...
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Diphosphinoboranes as Intramolecular Frustrated Lewis Pairs: P–B–P Bond Systems for the Activation of Dihydrogen, Carbon Dioxide, and Phenyl Isocyanate
PublikacjaHerein, we present the first example of the activation of small molecules by P-B-P bond systems. The reactivity study involves reactions of two selected diphosphinoboranes, (tBu2P)2BPh (1’) and (Cy2P)2BNiPr2 (2), that differ in terms of their structural and electronic properties for the activation of dihydrogen, carbon dioxide, and phenyl isocyanate. Diphosphinoborane 1’ activates H2 under very mild conditions in the absence of...
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Activation of N2O and SO2 by the P–B Bond System. Reversible Binding of SO2 by the P–O–B Geminal Frustrated Lewis Pair
PublikacjaHerein, we present the first transformation of borylphosphine into borylphosphinite using nitrous oxide. Borylphosphine reacts with N2O via insertion of a single oxygen atom into the P−B bond and formation of a P−O−B bond system. Borylphosphine and borylphosphinite capture SO2 and activate it in an irreversible and reversible manner, respectively.
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Phosphinoborinium cation: a synthon for cationic B-P bond systems
PublikacjaHerein, we report access to phosphinoborinium cations via heterolytic cleavage of the boron-bromide bond in bromophosphinoborane. The product of the reaction was isolated as a dimeric dication possessing a planar P2B2 core. Activation of C-H and C-P bonds in the dication led to formation of the borinium-phosphaborene adduct. Reactivity studies revealed that title cation exhibits ambiphilic properties and intramolecular frustrated...
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Monomeric Triphosphinoboranes: Intramolecular Lewis Acid–Base Interactions between Boron and Phosphorus Atoms
PublikacjaHerein, we present the synthesis of the first fully characterized monomeric triphosphinoboranes. The simple reaction of boron tribromide with three equivalents of bulky lithium phosphide tBu2PLi yielded triphosphinoborane (tBu2P)3B. Triphosphinoboranes with diversified phosphanyl substituents were obtained via a two-step reaction, in which isolable bromodiphosphinoborane (tBu2P)2BBr is first formed and then reacts with one equivalent...
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Application of nonmetallic frustrated cations in the activation of small molecules
PublikacjaThe concept of nonmetallic frustrated cations has been used in small molecule activation. The in situ generated ambiphilic phosphinoborinium cation activated phenyl isocyanate, diisopropylcarbodiimide, and acetonitrile under very mild conditions without any catalyst, yielding single-, double-, or mixed-activation products. Furthermore, the mechanisms of the reactions of the phosphinoborinium cation with small molecules were elucidated...
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A Study on Emission of Airborne Wear Particles from Car Brake Friction Pairs
PublikacjaThe emission of airborne wear particles from friction material / cast iron pairs used in car brakes was investigated, paying special attention to the influence of temperature. Five low-metallic materials and one non-asbestos organic material were tested using a pin-on-disc machine. The machine was placed in a sealed chamber to allow airborne particle collection. The concentration and size distribution of 0.0056 to 10 μm particles...
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Generation of charge carriers pairs in tetracene.
PublikacjaBadano mechanizmy odpowiedzialne za fotogenerację nośników ładunku w polikrystalicznych warstwach tetracenu.
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THE DETERMINATION OF ABRASION RESISTANCE OF SELECTED BIOMATERIALS FOR THE FRICTION PAIRS IN THE HIP JOINT ENDOPROSTHESIS
PublikacjaThe key requirement for the modern endoprosthesis is high durability of the friction components, which results in long and trouble-free operation in the human body. The durability of currently used endoprosthesis is often limited by tribological wear processes of friction components (e.g. between the head and the acetabular component in a hip joint endoprosthesis) [8, 19, 23, 24]. In order to compare the tribological wear, tribological...
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Caralumane Superacids of Lewis and Brønsted Character
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Photogeneration of charge carriers pairs in pentacene layers.
PublikacjaAnalizowano mechanizmy odpowiedzialne za powstawanie par nośników ładunku w polikrystalicznych warstwach pentacenu.
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The Acid Strength of the Lewis‐Brønsted Superacids – A QSPR Study
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Dissociative electron attachment to HGaF4 Lewis–Brønsted superacid
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The acid strength of the HClO4/n(AlF3) and HClO4/n(SbF5) (n = 1–3) Lewis–Brønsted superacids containing the excess of the Lewis acid component
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THE POSSIBILITY OF USE OF LASER-MODIFIED Ti6Al4V ALLOY IN FRICTION PAIRS IN ENDOPROSTHESES
PublikacjaThe purpose of this paper is to show results of laser treatment at cryogenic conditions of the Ti6Al4V alloy used for orthopedic applications. That modification process ought to bring beneficial changes of microstructure and residual stresses in the surface layer. The paper presents the abrasive wear of the base and laser remelted material in association with ceramics Al2O3. Despite the surface cracking after laser treatment the...
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Effects of Intrauterine Environment on the Magnitude of Differences Within the Pairs of Monozygotic and Dizygotic Twins
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The presence of two different central atoms increases the strength of Lewis-Brønsted superacids
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Simultaneous siRNA-mediated silencing of pairs of genes coding for enzymes involved in glycosaminoglycan synthesis.
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The acid strength of the HF/AlX3 Lewis-Brønsted complexes involving various electron acceptors as ligands
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Strength of the Lewis–Brønsted Superacids Containing In, Sn, and Sb and the Electron Binding Energies of Their Corresponding Superhalogen Anions
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The mechanisms of isobutene hydration yielding tert-butanol catalyzed by a strong mineral acid (H2SO4) and Lewis-Brønsted superacid (HF/SbF5)
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Mechanisms of carbon monoxide hydrogenation yielding formaldehyde catalyzed by the representative strong mineral acid, H2SO4, and Lewis–Brønsted superacid, HF/AlF3
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Theoretical estimation of acid–base properties of Lewis and Brønsted centres at the V-W-O catalyst surface: water molecule as the probe in DFT calculations
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Dendron to Central Core S1–S1 and S2–Sn (n>1) Energy Transfers in Artificial Special Pairs Containing Dendrimers with Limited Numbers of Conformations
PublikacjaTwo dendrimers consisting of a cofacial free-base bisporphyrin held by a biphenylene spacer and functionalized with 4-benzeneoxomethane (5-(4-benzene)tri-10,15,20-(4-n-octylbenzene)zinc(II)porphyrin) using either five or six of the six available meso-positions, have been synthesized and characterized as models for the antenna effect in Photosystems I and II. The presence of the short linkers, -CH2O-, and long C8H17 soluble side...
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Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. IV. Pairs of Different Hydrophobic Side Chains
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Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. 3. Calculation and Parameterization of the Potentials of Mean Force of Pairs of Identical Hydrophobic Side Chains
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Socioeconomic and gender inequalities in home learning during the COVID-19 pandemic: examining the roles of the home environment, parent supervision, and educational provisions
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Chemical Pressure Tuning Magnetism from Pyrochlore to Triangular Lattices
PublikacjaGeometrically frustrated lattices combined with magnetism usually host quantum fluctuations that suppress magnetic orders and generate highly entangled ground states. Three-dimensionally (3D) frustrated magnets generally exist in the diamond and pyrochlore lattices, while two-dimensionally (2D) frustrated geometries contain Kagomé, triangular, and honeycomb lattices. In this work, we reported using chemical pressure to tune the magnetism...
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Phosphinophosphoranes: Mixed-Valent Phosphorus Compounds with Ambiphilic Properties
PublikacjaHerein, we present a simple synthesis of mixed-valent phosphinophosphoranes bearing three- and five-coordinate phosphorus centers. Compounds with phosphorus–phosphorus bonds were synthesized via a reaction of lithium phosphides RR′PLi with cat2PCl (cat = catecholate), whereas derivatives with methylene-linked phosphorus centers were obtained via a reaction of phosphanylmethanides RR′CH2Li with cat2PCl. The presence of accessible...
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Evidence for SrHo2O4 and SrDy2O4 as model J1- J2 zigzag chain materials
PublikacjaNeutron diffraction and inelastic spectroscopy is used to characterize the magnetic Hamiltonian of SrHo2O4 and SrDy2O4. Through a detailed computation of the crystal-field levels we find site-dependent anisotropic single-ion magnetism in both materials, and diffraction measurements show the presence of strong one-dimensional spin correlations.Our measurements indicate that competing interactions of the zigzag chain, combinedwith...
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The reliability of tree and star networks
PublikacjaThis paper investigated the reliability of tree and star networks. Following measures of network reliability are assumed: the expected number of nodes, that can communicate with the central node; the expected number of node pairs, that are connected by a path through the central node; the expected number of node pairs communicating.
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Easy formation of acyl-Meldrum's acid anhydride
PublikacjaAcyl Meldrum's acid are usually a good source of ketenes upon definite thermal composition. However we treated acyl-Meldrum's acid with the Lewis acid and we observed formation of 5[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan 5 ylidene)(acyl/arylamino)mathoxy](acyl/arylamino)methylene]-2,2dimethyl-1,3-dioxane-4,6 dione which means acyl-Meldrum's acid anhydride. The chemical properities of acyl-Meldrum's acid anhydride were explored.
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Electromodulation and magnetomodulation of exciton dissociation in electron donor (starburst amine) : electron acceptor (bathocuproine) system
PublikacjaElectric field dependencies of electromodulated photoluminescence and photocurrents as well as the magnetic field effects on photocurrents, photovoltaic characteristics, electromodulated photoluminescence and photoluminescence have been investigated in vacuum evaporated films of m-MTDATA:BCP (4,4',4''-tris(N-(3-methylphenyl)-N-phenylamino)triphenylamine and bathocuproine) system. The electromodulation processes do remain in accordance...
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Paradoksy w zarządzaniu organizacją - wejście do czy wyjście z labiryntu
PublikacjaW artykule przedstawiono cechy zarządzania współczesną organizacją konstatując, że nieodłącznym elementem każdej organizacji są paradoksy strategiczne. Przedstawiono konstrukcję paradoksu według M. Lewis, na którą składa się identyfikacja: źródeł występujących napięć, przyczyn ich wzmacniania towarzyszących poszukiwaniu rozwiązań lub będących wynikiem reakcji obronnych oraz propozycja wykorzystania paradoksów jako źródła wiedzy...
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2-Methylphenyl 2-methoxyacridine-9-carboxylate
PublikacjaThe title compound, C22H17NO3, crystallizes in the monoclinic space group P21/c with four molecules per unit cell. The molecules are arranged in centrosymmetric pairs, joined via the C and attached H atoms in the meta position relative to the methoxy group. These pairs are bonded in the crystalline phase as a result of non-specific dispersive interactions, and through a network of C—H⋯O interactions involving the non-bonded O...
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Magnetic field effects in dye-sensitized solar cells controlled by different cell architecture
PublikacjaThe charge recombination and exciton dissociation are generally recognized as the basic electronic processes limiting the efficiency of photovoltaic devices. In this work, we propose a detailed mechanism of photocurrent generation in dye-sensitized solar cells (DSSCs) examined by magnetic field effect (MFE) technique. Here we demonstrate that the magnitude of the MFE on photocurrent in DSSCs can be controlled by the radius and...
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WHAT DRIVES CROSS-COUNTRY DIFFERENCES IN EXPORT VARIETY? A BILATERAL PANEL APPROACH
PublikacjaA worldwide event like the 2020 Coronavirus outbreak can only reinforce the interest in modelling trade diversification as a key factor in countries’ vulnerability to external shocks. This paper adopts a detailed relative framework to study the determinants of product-level export variety in a large bilateral panel of developing and developed economies (16,770 country pairs in the period 1988–2014). We find that country pairs characterized...
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FORECASTING EXCHANGE RATES IN THE PROCESS OF THE ASSESSMENT OF CONSUMER RISK BANKRUPTCY IN CENTRAL EUROPE
PublikacjaThis paper focuses on the issue of forecasting the fluctuation of exchange rates as part of the early warning system against the risk of consumer bankruptcy. The author identified the main macroeconomic factors affecting the level of bankruptcies for households in Poland. The fluctuation of exchange rates, which directly affects the deterioration of the economic situation of borrowers who have opened credit accounts in a foreign...
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Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2
PublikacjaThe single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb- (PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-ray diffraction shows that Rb3Yb(PO4)2 exhibits [Yb(PO4)]∞ layers, with the Yb in an ordered plane of equilateral triangles. One phosphate group oxygen that is not a near neighbor of the magnetic Yb displays positional disorder. The...
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(CsX)Cu5O2(PO4)2 (X = Cl, Br, I): A Family of Cu2+ S = 1/2 Compounds with Capped-Kagomé Networks Composed of OCu4 Units
PublikacjaThree new salt inclusion compounds (CsX)Cu5O2(PO4)2 (X = Cl, Br, I), phosphate analogues of the kagomé mineral averievite, are reported. Their crystal structures are composed of trigonal networks of corner-sharing OCu4 anion-centered tetrahedra, forming capped-kagomé planes, which can also be regarded as two-dimensional slices along the [111] direction of a pyrochlore lattice. Magnetization and heat capacity measurements reveal...
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Parallelization of large vector similarity computations in a hybrid CPU+GPU environment
PublikacjaThe paper presents design, implementation and tuning of a hybrid parallel OpenMP+CUDA code for computation of similarity between pairs of a large number of multidimensional vectors. The problem has a wide range of applications, and consequently its optimization is of high importance, especially on currently widespread hybrid CPU+GPU systems targeted in the paper. The following are presented and tested for computation of all vector...
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Homotopy invariance of the Conley index and local Morse homology in Hilbert spaces
PublikacjaIn this paper we introduce a new compactness condition — Property-(C) — for flows in (not necessary locally compact) metric spaces. For such flows a Conley type theory can be developed. For example (regular) index pairs always exist for Property-(C) flows and a Conley index can be defined. An important class of flows satisfying the this compactness condition are LS-flows. We apply E-cohomology to index pairs of LS-flows and obtain...
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Estimation of electrode contact in capacitive ECG measurement
PublikacjaIn the paper a method of electrode’s contact estimation in capacitive electrocardiogram (CECG) is presented. Proposed solution allows estimation of contact quality for each individual electrode. This enables construction of multi-electrode CECG systems, where electrode pairs can be selected on the basis of the individual electrode contact quality.
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A RECONNAISSANCE-SCALE GIS-BASED MULTICRITERIA DECISION ANALYSIS TO SUPPORT SUSTAINABLE BIOCHAR USE: POLAND AS A CASE STUDY
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Attractors of dissipative homeomorphisms of the infinite surface homeomorphic to a punctured sphere
PublikacjaA class of dissipative orientation preserving homeomorphisms of the infinite annulus,pairs of pants, or generally any infinite surface homeomorphic to a punctured sphere isconsidered. We prove that in some isotopy classes the local behavior of such homeomor-phisms at a fixed point, namely the existence of so-called inverse saddle, impacts thetopology of the attractor — it cannot be arcwise connected
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High load capacity spur gears with conchoidal path of contact
PublikacjaThe present study is devoted to investigation of spur gears with a conchoidal path of contact and a convex-convex contact between teeth. The load capacity and energy efficiency were evaluated using both theoretical and experimental approaches. The theoretical analysis showed that the conchoidal gear pairs are 5–21% stronger in terms of contact stress and have similar energy efficiency as compared to the involute gear pairs of the...
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Quenching effects in organic electroluminescence
PublikacjaWe examine various electronic processes that underlie the quenching of the emission from highly efficient phosphorescent and electrophosphorescent organic solid-state molecular systems. As an example, we study the luminescent efficiencies from the phosphorescent iridium (III) complex, fac tris (2-phenylpyridine) iridium [(Ir (ppy)3] doped into a diamine derivative doped polycarbonate hole-transporting matrix and in the form...
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MHD Casson flow across a stretched surface in a porous material: a numerical study
PublikacjaIn this study, we examine the nature of magnetohydrodynamic (MHD) Casson flow of fluid across a stretched surface in a porous material. It studies how the behaviour of Casson fluids is affected by a number of variables, including thermal radiation, chemical processes, Joule heating, and viscosity dissipation. The Keller box strategy, based on the finite difference method (FDM), is used to tackle the complex numerical problem. Graphical...
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Is Digital Government Advancing Sustainable Governance? A Study of OECD/EU Countries
PublikacjaInternational bodies and numerous authors advocate a key role for Digital Government (DG) in improving public governance and achieving other policy outcomes. Today, a particularly relevant outcome is advancing Sustainable Governance (SG), i.e., the capacity to steer and coordinate public action towards sustainable development. This article performs an empirical study of the relationship between DG and SG using data about 41 OECD/EU...