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Wyniki wyszukiwania dla: anion binding
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Catalytic activity and anion activation in SN2 reactions promoted by complexes of silicon polypodands. Comparison with traditional polyethers
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A concerted evolution of supramolecular interactions in a {cation; metal complex; π-acid; solvent} anion-π system
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Prediction of Thymine Dimer Repair by Electron Transfer from Photoexcited 8-Aminoguanine or Its Deprotonated Anion
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Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides
PublikacjaBy the reaction of urea or thiourea, acetylacetone and hydrogen halide (HF, HBr or HI), we have obtained seven new 4,6-dimethyl-2-pyrimido(thio)nium salts, which were characterized by single-crystal X-ray diffraction, namely, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bifluoride, C₆H₉N₂O⁺·HF₂⁻ or (dmpH)F₂H, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bromide, C₆H₉N₂O⁺·Br⁻ or (dmpH)Br, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium...
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Visible light photocatalytic activity of ionic liquid-TiO2 spheres: effect of the ionic liquid's anion structure
PublikacjaThe effect of the ionic liquid’s (IL) anion type ([BIMIM][X], where X= [Br], [PF6] or [OctSO4]) and content on the morphology, surface properties and photoactivity of TiO2 obtained by solvothermal method has been systematically investigated. Our results revealed that the presence of [Br], [OctSO4] anions favors formation of anatase phase, while presence of [PF6] anion causes formation of mixture of anatase and Ti(OH)PO4 phases....
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Structure of liquid gold from tight-binding driven molecular-dynamics
PublikacjaPraca przedstawia wyniki symulacji ciekłego złota w nadkomórce periodycznej przy użyciu stworzonego przez autorów programu komputerowego, za pomocą połączonych metod dynamiki molekularnej (MD) i ciasnego wiązania (TB). Omówiono strukturę tak symulowanej cieczy, porównując ją z dostępnymi danymi doświadczalnymi oraz wynikami innych symulacji, pod kątem radialnej i kątowej funkcji rozkładu i elektronowej gęstości stanów.A tight-binding...
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Riboflavin binding protein—Chiral stationary phase: Investigation of retention mechanism
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Binding energies of Eu2+ and Eu3+ ions in β-Ca2SiO4 doped with europium
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Serum Fatty Acid-Binding Protein 4 is Increased in Patients with Psoriasis
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Common functionally important motions of the nucleotide‐binding domain of H sp70
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Induced circularly polarized luminescence for revealing DNA binding with fluorescent dyes
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Characterization of single-stranded DNA-binding proteins from the psychrophilic bacteria
PublikacjaSingle-stranded DNA-binding proteins (SSBs) are indispensable elements in the cells of all living organisms. SSB proteins interact with ssDNAinsequence in an independent manner, preventing them from forming secondary structures and from degradation by nucleases. In this way, SSB-binding proteins participate in all processes involving ssDNA, such as replication, repair and recombination.Although there are differences in amino acid...
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In vitro antioxidative and binding properties of phenolics in traditional, citrus and exotic fruits
PublikacjaMany polyphenols bind proteins, therefore our research was focused on the potential of protein binding to polyphenols of investigated fruits and their health-related effects. The contents of polyphenols and related antioxidant activities of traditional, citrus and exotic fruits were compared. The presence of polyphenols (flavonoids and phenolic acids) in the investigated samples and their interaction with human serum albumin (HSA)...
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Functionalized azobenzocrown ethers as sensor materials—The synthesis and ion binding properties
PublikacjaNew 13- and 16-membered azobenzocrown ethers with aromatic amino, amide, ether–ester or ether–amide residue in para position to an azo moiety were obtained. Acid–base properties and ion binding ability of the colored compounds were studied by spectroscopic methods: UV–vis, fluorimetry and 1H NMR spectroscopy. Selected azobenzocrowns were tested as ionophores in ion-selective membrane electrodes (ISEs) – classic and miniature all...
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Characterization of single-stranded DNA-binding proteins from the psychrophilic bacteria
PublikacjaSingle-stranded DNA-binding proteins (SSBs) are indispensable elements in the cells of all living organisms. SSB proteins interact with ssDNA insequence in an independent manner, preventing them from forming secondary structures and from degradation by nucleases. In this way, SSB-binding proteins participate in all processes involving ssDNA, such as replication, repair and recombination. Although there are differences in amino...
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublikacjaAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Effect of Ion and Binding Site on the Conformation of Chosen Glycosaminoglycans at the Albumin Surface
PublikacjaAlbumin is one of the major components of synovial fluid. Due to its negative surface charge, it plays an essential role in many physiological processes, including the ability to form molecular complexes. In addition, glycosaminoglycans such as hyaluronic acid and chondroitin sulfate are crucial components of synovial fluid involved in the boundary lubrication regime. This study presents the influence of Na+, Mg2+ and Ca2+ ions...
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Hunting for bindings in distributed object-oriented systems.
PublikacjaArtykuł dotyczy problemu identyfikacji grupy obiektów, które pozostają z danym obiektem w pewnej relacji. Problem ten jest szczególnie istotny w sytuacji, gdy należy wyodrębnić grupę obiektów w celu np. testowania czy monitorowania. W arykule zdefiniowano statyczną i dynamiczną relację powiązania pomiędzy obiektami w rozproszonym systemie obiektowym. Zaproponowano również architekturę umożliwiającą wyszukiwanie tych powiązań. Przedstawiono...
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Chalcogen bonding interactions in a series of aromatic selenocyanates
PublikacjaSelenium atoms in aromatic selenocyanates are characterized by the occurrence of two σ-holes, a stronger one in the prolongation of the NC–Se bond and a weaker one in the prolongation of the Ar–Se bond. The crystal structures of several bis(selenocyanato) derivatives, prepared by a method originally developed for ortho bis-substituted derivatives, illustrate very well this difference, with a short NC–Se⋯NC ChB interaction organizing...
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On the Bending of Multilayered Plates Considering Surface Viscoelasticity
PublikacjaWe discuss the bending resistance of multilayered plates taking into account surface/interfacial viscoelasticity. Within the linear surface viscoelasticity we introduce the surface/interfacial stresses linearly dependent on the history of surface strains. In order to underline the surface viscoelasticity contribution to the bending response we restrict ourselves to the elastic behaviour in the bulk. Using the correspondence principle...
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Bending of a Three-Layered Plate with Surface Stresses
PublikacjaWe discuss here the bending deformations of a three-layered plate taking into account surface and interfacial stresses. The first-order shear deformation plate theory and the Gurtin-Murdoch model of surface stresses will be considered and the formulae for stiffness parameters of the plate are derived. Their dependence on surface elastic moduli will be analyzed.
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Game Theory Analysis of Bidding for a Construction Contract
PublikacjaThe authors are concerned with a bidding problem. There are two companies (P1 and P2) bidding for a highway construction project. In order to be more competitive, P1 considers buying a new gravel pit near the construction site. The basic cost of the pit is known to both companies. However, there is also an additional, hidden, cost (C) known only to P1. P2 is uncertain whether the hidden cost is C = 0 or C = x. P1 plans to bid for...
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RESEARCH AND DEVELOPMENT EXPENDITURES AND QUALITY OF LIFE IN EUROPEAN UNION COUNTRIES
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Relations Among Social and Economic Order in European Union Countries
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The Hicksian Effects and FDI after Poland’s Accession to the European Union
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Ferrocenylated 1,3,5-triphenylbenzenes for the electrochemical detection of various cations or anions
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Ferrocene-pyrene conjugates for detection of various monovalent anions in solution
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The role of the European Union and democratisation process in post-communist Romania
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Comparative Analysis of Working Conditions in the European Union Member States
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Negatively Charged Xanthine. I. Anions Formed by Canonical Isomers
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Towards an understanding of the nature of superhalogen anions: anab initiostudy of the system
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Introducing various ligands into superhalogen anions reduces their electronic stabilities
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Dipole-Bound Anions of Glycine Based on the Zwitterion and Neutral Structures
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Is hydrogen capable of playing a central atom role in superhalogen anions?
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THE OPPORTUNITY FOR THE DEVELOPMENT OF TROLLEYBUS TRANSPORT WITH THE SUPPORT OF EUROPEAN UNION FOUNDS
PublikacjaThe article introduced the development of trolleybus transport in Poland during the last 10 years. Development that took place was wi support of the European Union.
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Small hydro-power as a source of renewable energy in the European Union
PublikacjaW pracy przedstawiono udział odnawialnych źródeł energii w produkcji energii elektrycznej w 25 krajach Unii Europejskiej w roku 1997 i przewidywanu udział w roku 2010. Omówiono krótką historię rozwoju małych elektrownii wodnych w UE i dokonano przeglądu małych elektrowni wodnych w krajach UE oraz w wybranych krajach Europy, nie należących do UE. Przedstawiono także możliwy rozwój małej energetyki wodnej w okresie perspektywicznym...
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Unusual Influence of Fluorinated Anions on the Stretching Vibrations of Liquid Water
PublikacjaInfrared (IR) spectroscopy is a commonly used and invaluable tool in the studies of solvation phenomena in aqueous solutions. Concurrently, ab initio molecular dynamics (AIMD) simulations deliver the solvation shell picture at a molecular detail level and allow for a consistent decomposition of the theoretical IR spectrum into underlying spatial correlations. Here, we demonstrate how the novel spectral decomposition techniques...
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Impact assessment culture in the European Union. Time for something new?
PublikacjaCurrent approaches and cultures for the economic evaluations of environmental and health policies may suffer from excessive reliance on a standard neoclassic economic toolbox that neglects alternative perspectives. This may prematurely limit the spectrum of available policy options. Here we show how the inclusion of neglected currents of thought such as non-Ricardian economics, bioeconomics and a set of qualitative-quantitative...
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High energy radiation – Induced cooperative reductive/oxidative mechanism of perfluorooctanoate anion (PFOA) decomposition in aqueous solution
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A new phosphonium calix[4]arene for selective anion recognition: synthesis and studies in solution and in ion selective electrodes
PublikacjaZaprezentowana została synteza i charakteryzacja tetra (trifenylofosfoniowego) p-tert-butylkaliks[4]arenu 2. Oddziaływania z anionami były badane z użyciem (1)H oraz (31)P NMR i spektrofotometrii absorpcyjnej UV. Badania wykazały oddziaływania z anionami: CLO4-, I-, oraz SCN-. Selektywność jonoforu 2 badano również w membranowych elektrodach jonoselektywnych (ISE) PCV/o-NPOE. Elektroda zawierająca związek 2 generuje odpowiedź potencjometryczną...
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Anab initiostudy of (H3B←NH3)−—a dipole-bound anion supported by the dative charge-transfer bond in the neutral host
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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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Influence of temperature and anion type on thermophysical properties of aqueous solutions of morpholine based amino acid ionic liquids
PublikacjaDensities and sound velocities of aqueous solutions of N-butyl-N-methylmorpholine based amino acid ionic liquids (AAILs), including N-acetyl-L-alanine, N-acetyl-Lvalinate, N-acetyl-L-leucinate, and N-acetyl-L-izoleucinate anions were measured at a temperature from 293.15 to 313.15 K at 5 K intervals and atmospheric pressure. These data were used to calculate the apparent molar volumes and the apparent molar compressibilities in...
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A system for singing training
PublikacjaThe system proposed is aimed at the vocal students and persons who want to improve emission of their voices. The goal is not to substituite a singing teacher but to provide a tool for automatic teaching of voice emission basics. In this way singers can develop their vocal skills and improve them. By a visual feedback a student can control and modify vocal tract maximas (resonances) of a chosen vowel to match the resonances of the...
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Building a Nest by an Automaton
PublikacjaA robot modeled as a deterministic finite automaton has to build a structure from material available to it. The robot navigates in the infinite oriented grid $Z x Z$. Some cells of the grid are full (contain a brick) and others are empty. The subgraph of the grid induced by full cells, called the {\em field}, is initially connected. The (Manhattan) distance between the farthest cells of the field is called its {\em span}. The robot...
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NK1 receptor binding of a few low molecular weight 3,5-bistrifluoromethylbenzene derivatives
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Fentanyl Family at the Mu-Opioid Receptor: Uniform Assessment of Binding and Computational Analysis
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Imidazo-thiazine, -diazinone and -diazepinone derivatives. Synthesis, structure and benzodiazepine receptor binding
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A tight-binding model of a carbon nanotube interacting with TiO2 rutile (110) surface
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Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants
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