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Search results for: TRANSITION METAL COMPLEXES
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Stability and phase transition investigation of olanzapine polymorphs
PublicationWe use electrical embedded-fragment QM method with both DFT/ωB97XD/6-31G* and MP2/6-31G* to investigate the phase transformations of olanzapine. Gibbs free energy calculations predict that form I is always the most stable structure and form II is the least stable one, while form IV is more stable than form III below about 200 K but less stable above this temperature, implying a polymorphic phase transformation. This may account...
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Electrosynthesis of potato starch-casein complexes
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Electrosynthesis of carboxymethyl cellulose – ovoalbumin complexes
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Thiolate complexes of molybdenum. synthesis and application
PublicationZwiązki molibdenu, w tym siarczki, posiadają własności katalityczne i są szeroko wykorzystywane m.in. w przemyśle petrochemicznym. Enzym nitrogenaza posiadający w centrum aktywnym molibdenu umożliwia reakcję redukcji azotu atmosferycznego w niskiej temperaturze i pod ciśnieniem atmosferycznym. Ta sama reakcja w przemyśle wymaga zastosowania znacznie bardziej drastycznych warunków. Stąd wieloletnie zainteresowanie badaczy możliwością...
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Diffusible hydrogen content in deposited metal of multilayer welded joints
PublicationThe article describes manufacturing technology of multilayer joints in terms of control the diffusible hydrogen content. Diffusible hydrogen content in deposited metal for multilayer welded joints made of covered rutile electrodes or covered cellulosic and basic electrodes was determined. It was found that after four beads, the diffusible hydrogen content decreases in the case of the first technology from 36 ml/100 g to 18 ml/100...
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Positron binding to alkali-metal hydrides: The role of molecular vibrations
PublicationThe bound vibrational levels for J=0 have been computed for the series of alkali-metal hydride molecules from LiH to RbH, including NaH and KH. For all four molecules the corresponding potential-energy curves have been obtained for each isolated species and for its positron-bound complex (e+XH). It is found that the calculated positron affinity values strongly depend on the molecular vibrational state for which they are obtained...
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Hybrid metal and non-metal activation of Oxone by magnetite nanostructures co-immobilized with nano-carbon black to degrade tetracycline: Fenton and electrochemical enhancement with bio-assay
PublicationElectrochemically synthesized magnetite nanostructures (ESMNPs) as a metal activator and nano-carbon black (NCB) as a non-metal activator were co-immobilized by alginate natural polymer to activate Oxone for the degradation of tetracycline (TC) antibiotic. The formation of sulfate radical was indirectly confirmed during the Oxone/ESMNPs/NCB/alginate process via the addition of scavenging compounds. This study revealed the high...
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Speciation of heavy metal compounds in samples of biota from marine ecosystems
PublicationIt has become increasingly evident that the toxicity, mobility, bioavailability and bioaccumulation of metals are dependent on the particular physico-chemical form in which the element occurs in the environment. Special attention is paid to metals, which are essential for the proper functioning of organisms if present in appropriate amounts but are toxic if in excess (i.e. Se, Cr, Zn), and also to non-essential elements (i.e. Hg,...
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The site at the cape Zidine in Lopar in the context of coastal residential and commercial complexes of Rab Island
PublicationSince 2013, the “Archaeological topography of the island of Rab” project has approached the island’s archaeology holistically and interdisciplinary, tackling all periods and archaeological evidence present on the island. Nevertheless, mostly due to a large amount of new data, a significant segment of research is devoted to Roman residential and production complexes, located either in the island’s fields or along the coast. Thus,...
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Synthesis and characterization of mononuclear Zn(II), Co(II) and Ni(II) complexes containing a sterically demanding silanethiolate ligand derived from tris(2,6-diisopropylphenoxy)silanethiol
PublicationFour heteroleptic complexes of zinc(II), cobalt(II) and nickel(II) containing a monodentate silanethiolate ligand derived from tris(2,6-diisopropylphenoxy)silanethiol (TDST), were prepared and characterized. The geometries of ligands in the complexes are typical: distorted tetrahedral in zinc and cobalt(II) complexes and square planar in nickel(II) compound. Magnetic studies performed for Ni(II) and Co(II) compounds confirm the...
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Recent Advances in Graphene Oxide-Based Membranes for Heavy Metal Ions Separation
PublicationGraphene oxide (GO)-based membranes have been widely investigated for separation of dyes, salt ions, heavy metal ions, and biomolecules due to their high mechanical strength, single-layered structure, large surface area, and high affinity. However, due to irregular pore structure, nanochannels, interlayer distance, easy functionalization, swelling effect, and chemical stability under aqueous environment limited their separation...
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Morphology control through the synthesis of metal-organic frameworks
PublicationDesignable morphology and predictable properties are the most challenging goals in material engineering. Features such as shape, size, porosity, agglomeration ratio significantly affect the final properties of metal- organic frameworks (MOFs) and can be regulated throughout synthesis parameters but require a deep under- standing of the mechanisms of MOFs formation. Herein, we systematically summarize the effects of the indi- vidual...
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Effect of the welding environment and storage time of electrodes on the diffusible hydrogen content in deposited metal
PublicationIn the study the glycerin displacement method was used for determination of diffusible hydrogen content in deposited metal. Specimens were welded in the air and in the water with covered rutile electrodes. The first part of the specimens was made immediately after opening the package of the electrodes. The electrodes were then stored in opened packages in laboratory conditions that allowed for contact with the air for three years....
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Nonlinear FEM analysis of irregular shells composed of fiber metal laminates
PublicationThe paper deals with the analysis of failure initiation in shells made of Fiber Metal Laminates (FML). The elas-tic material law for orthotropic lamina is stated accounting for asymmetric in-plane stress and strain measures. The asymmetry results from the employed general nonlinear 6-field shell theory where the generalized dis-placements involve the translation and the proper rotation field. The novelty of the presented results...
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Novel complexes possessing Hg–(Cl, Br, I)⋯O=C halogen bonding and unusual Hg₂S₂(Br/I)₄ kernel. The usefulness of τ₄′ structural parameter
PublicationOne mononuclear and two binuclear Hg(II) complexes have been synthesized and characterized by X-ray diffraction, ATR IR and Hirshfeld surface analysis. Single-crystal X-ray diffraction showed that binuclear compounds are centrosymmetric and isostructural. All complexes form bifurcated intermolecular N–H···O hydrogen bonds that contribute to a formation of the centrosymmetric dimers. In binuclear complexes, sulfur atoms of thiourea...
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The occurrence of heavy metals and metal-resistant bacteria in water and bottom sediments of the Straszyn reservoir (Poland)
PublicationThe aim of this study is investigate the distribution of selected heavy metals (zinc, copper, lead, cadmium) and metal-resistant bacteria in water and bottom sediments of drinking water reservoir for Gdańsk (Poland). The research area - Straszyn Lake is a dam reservoir on Radunia river, of the total volume of 3 mln m3. Sediment and water sampling took place between May and October 2013 (eight series). Regarding metal concentration...
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Pr-doped TiO2: The effect of metal content on photocatalytic activity
PublicationThe Pr-TiO2 nanoparticles were prepared by using the sol-gel method. As-prepared samples were characterized by BET measurements, X-ray powder diffraction analysis (XRD) and UV-Vis spectra. Visible and ultraviolet light photocatalytic activity of the sample was studied by photodegradation of phenol while considering the influence of the dopant concentration. TiO2 doped with 0.25 mol% of praseodymium showed the highest photocatalytic...
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Coordination complexes of Mn(II), Co(II), Ni(II), Zn(II) and Cd(II) with histaminol – Crystal structures and formation constants in aqueous solution
PublicationStability constants were determined for a series of coordination complexes of Mn(II), Co(II), Ni(II), Zn(II) and Cd(II) with histaminol in aqueous solution. The tendency of histaminol to form chelate complexes has been confirmed by the isolation of several complex species in the monocrystalline form and determination of their molecular structures.
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A new time-frequency detection method of stray current field interferenceon metal structures.
PublicationA new detection method has been presented of stray current field interference on underground metal structures. The method employs short time Fourier transformation (STFT). This method of analysis allows determination of signal spectral power density changes (e.g., structure potential) in the function of time. In the paper results have been presented of total time–frequency analysis of a pipeline potential in a stray current field...
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Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization
PublicationRuthenium(II) complexes are lately of great scientific interest due to their chemotherapeutic potential asanticancer and antimicrobial agents. Here we present the synthesis of new pyrazole carbothioamidederivatives and their four arene–ruthenium complexes. The title compounds were characterized with theapplication of IR, NMR, mass spectrometry, elemental analysis and X-ray diffraction. Additionally, for newcomplexes DFT calculations...
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Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study
PublicationWe report the first series of homoleptic phosphido iron complexes synthesized by treating either the β-diketiminato complex [(Dippnacnac)FeCl2Li(dme)2] (Dippnacnac = HC[(CMe)N(C6H3-2,6-iPr2)]2) or [FeBr2(thf )2] with an excess of phosphides R2PLi (R = tBu, tBuPh, Cy, iPr). Reaction outcomes depend strongly on the bulkiness of the phosphido ligands. The use of tBu2PLi precursor led to an anionic diiron complex 1 encompassing a planar...
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Assessment of metal removal in a surface flow constructed wetland treating landfill leachate
PublicationThe study concerns heavy metal retention and transformation processes in a free water surface constructed wetland treating landfill leachate in a temperate climate. The total effectiveness of heavy metals removal in the analyzed CW was evaluated basing on heavy metals inflow and outflow concentrations. The concentrations of eight heavy metals (Fe, Mn, Zn, Pb, Ni, Cu, Cr, Cd) in landfill leachate (LL) and sediments were measured....
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Electroabsorption study of metal-to-ligand charge transfer in an organic complex of iridium (III).
PublicationW pracy zmierzono i zinterpretowano widmo elektroabsorpcji (EA) próżniowo naparowanych warstw organicznego kompleksu Ir(ppy)3, powszechnie stosowanego jako emiter fosforescencyjny w organicznych diodach elektroluminescencyjnych. Analiza widma EA potwierdziła fakt,że niskoenergetyczne stany elektronowe tego kompleksu związane są z przeniesieniem ładunku metal-ligand.
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Enhancing the Effectiveness of the Diamond Metal Bond Instrument when Grinding High-Strength Materials
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Azomacrocyclic derivatives of imidazole: synthesis, structure, and metal ion complexation properties
PublicationNew azocrown ethers comprising imidazoles in the macrocycle have been synthesized. Imidazole, 2-methyl-, 4-methyl-, and 4-phenylimidazole were incorporated to form macrocyclic units by coupling with the appropriate bis-diazonium salts. The syntheseswere performed under high dilution conditions. The X-ray structure of a water adduct of the 21-membered crown ether derivative of 4-methylimidazole 8 has been solved. Metal...
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DETERMINATION OF DIFFUSIBLE HYDROGEN CONTENT IN DEPOSITED METAL OF RUTILE ELECTRODES BY GLYCERIN METHOD
PublicationThe presence of diffusible hydrogen in welded joints is one of the causes of formation the welding imperfections. Improvement of weldability can be achieved by reducing the hydrogen amount in welded joints. This requires, among others, the finding of sources of hydrogen. For high hydrogen processes the commonly used method of determining the diffusible hydrogen amount is the glycerin method. This paper concerns issues related to...
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Electromodulation of monomer and excimer phosphorescence in vacuum-evaporated films of platinum (II) complexes of 1,3-di(2-pyridyl)benzenes
PublicationElectric field-modulated photoluminescence (EML) measurements are presented for vacuum-evaporated films of cyclometallated Pt (II) complexes of 1,3-di(2-pyridyl) benzenes used as triplet emitters in organic light-emitting diodes (OLEDs). The excimer phosphorescence is quenched by the external electric field of 2.5 MV/cm up to 25% but the same effect on monomer phosphorescence is one order of magnitude smaller. The higher quenching...
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Natural Environments for Nanoparticles Synthesis of Metal, Metal Oxides, Core–Shell and Bimetallic Systems
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A novel concept for tissue-metal detection and differentiation using an inductive proximity sensor
PublicationIn this paper a novel application of inductive proximity sensors for detection of living tissue by means of measurements of the coil impedance changes at different frequencies is described. The mathematical analyses utilizing Bessel function estimation include detected object size and its distance from a sensor. The main aim of this study is to prove the possibility of distinguishing between metal objects and living tissues. The...
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Coordination polymers and molecular structures among complexes of mercury(II) halides with selected 1-benzoylthioureas
PublicationSix new 1-benzoyl-3-phenylthiourea and 1-benzoyl-3-(2-methylphenyl)thiourea complexes of mercury( II) were obtained in the reactions of the ligands with HgX2 in methanol (X = Cl, Br, I). Their structures, determined by single-crystal X-ray diffraction analysis, exhibit different stoichiometries and molecular organization. Coordination centers adopt more or less distorted tetrahedral geometry (five structures) or distorted trigonal...
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New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublicationThe crystal structures of S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) diacetate (1_ac), S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) dichloride (1_Cl), 1_U complex, S,S′-naphthalene-1,4-diylbis(methylisothiouronium) dichloride (2_Cl), and 2_U complex were determined for the first time. The supramolecular structures of the compounds obtained are mainly based on hydrogen bonding and ionic interactions...
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Preliminary investigations of effect of conditions of FCAW process on diffusible hydrogen content in deposited metal
PublicationOne of the types of hydrogen degradation of steel welded joints is cold cracking. The direct cause of the formation of cold cracks is simultaneous presence of hydrogen, residual stresses and brittle structure. The way of preventing the occurring of degradation is to eliminate at least one of these factors. Practice has shown that the best solution is to control the amount of hydrogen in deposited metal. In this paper the state...
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Redox property switching in MOFs with open metal sites for improved catalytic hydrogenation performance
PublicationIn this study, a decompression-thermalization strategy was utilized for a Cu-containing metal-organic framework (MOF) to tune its redox and catalytic hydrogenation properties. Remarkably, at just 120 °C, open metal sites (OMSs) were successfully constructed by removing coordinated solvent molecules to generate the daughter MOF-120. The tailored redox property of MOF-120 is correlated with the presence of OMSs. Compared with the...
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High pressure effect on charge transfer transition in Y2O2S:Eu3+
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Energy Transition in Poland—Assessment of the Renewable Energy Sector
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Induction of Epithelial-mesenchymal Transition in MDCK II Cells
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Possible singlet-to-triplet pairing transition in Na_xCoO_2 * yH_2O
PublicationW pracy przedstawiono dokładne pomiary górnego pola krytycznego (H_c2) w niedawno odkrytym nadprzewodniku Na_xCoO_2 * yH_2O. Zauważono niezwykłe zachowanie pola krytycznego w funkcji temperatury. W celu wyjaśnienie zjawiska rozwiązano równania Gorkova dla sieci trójkątnej. Eksperymentalny wynik może być interpretowany jako przejście singlet - tryplet wywołane polem magnetycznym.
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The first order phase transition and superconductivity in BaNi2As2single crystals
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Possible singlet-to-triplet pairing transition inNaxCoO2·yH2O
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CIVILIZING THE PUBLIC PARTICIPATION PRACTICE IN POST-TRANSITION COUNTRIES
PublicationThe phenomenon of public participation is not so new to both planning theory and practice. In fact, involving local community in the decision-making process regarding local urban development directions is widely discussed and a number of various forms of these are being introduced. This paper deals with a number of
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Effect of underwater local cavity welding method conditions on diffusible hydrogen content in deposited metal
PublicationOne of the methods with great potential for applications in underwater repairs is local cavity welding. In local cavity method, cooling conditions and diffusible hydrogen amount in weld metal are nearly the same as those existed during welding in the air. This paper presents the results of literature survey and preliminary tests of the effect of local cavity welding conditions on diffusible hydrogen amount in a deposited metal....
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublicationThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...
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Molecular Modeling of the Neurohypophyseal Receptor/Atosiban Complexes
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Polysaccharide–Protein Complexes in a Coarse-Grained Model
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Formation of carboxymethyl cellulose–casein complexes by electrosynthesis
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Apple pectin complexes with whey protein isolate
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Novel anticancer strategy aimed at targeting shelterin complexes by the induction of structural changes in telomeric DNA: hitting two birds with one stone.
PublicationThe ends of chromosomes in mammals are composed of telomeric DNA containing TTAGGG repeats, which bind specific proteins called shelterins. This telomeric DNA together with shelterins form a cap that protects the ends of chromosomes from being recognized as sites of DNA damage and from chromosomal fusions. Many very successful antitumor drugs used in the treatment of cancer patients bind to DNA, some of them with a prominent sequence...
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Microplastics removal from aqueous environment by metal organic frameworks
PublicationThis paper provides an overview of recent research performed on the applications of metal–organic frameworks (MOFs) for microplastics (MPs) removal from aqueous environments. MPs pollution has become a major environmental concern due to its negative impacts on aquatic ecosystems and human health. Therefore, developing effective and sustainable methods for removing them from aqueous environments is crucial. In recent years, MOFs...
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Effect of water salinity on properties of multipass underwater wet manual metal arc welded joints
PublicationThe weldability of steel under the water is limited due to the influence of the environment. Water causes limited visibility, presence of the residual stresses, increasing the cooling rate, and increasing the diffusible hydrogen content in deposited metal, leading to the formation of brittle microstructures in heat-affected zone (HAZ). The paper presents the results of mechanical properties testing of S420G2+M steel welded joints...
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Signature of Oxide-Ion Conduction in Alkaline-Earth-Metal-Doped Y3GaO6
PublicationWe have studied alkaline-earth-metal-doped Y3GaO6 as a new family of oxide-ion conductor. Solid solutions of Y3GaO6 and 2% −Ca2+-, −Sr2+-, and −Ba2+-doped Y3GaO6, i.e., Y(3−0.06)M0.06GaO6−δ (M = Ca2+, Sr2+, and Ba2+), were prepared via a conventional solid-state reaction route. X-ray Rietveld refined diffractograms of all the compositions showed the formation of an orthorhombic structure having the Cmc21 space group. Scanning electron...