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Search results for: polyoxotitanium cluster, carboxylate ligand, crystal structure, solvothermal synthesis,
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XRD patterns of V2O5 thin film morphology dependent on substrate types
Open Research DataThe DataSet contains the XRD patterns of the V2O5 thin film structure dependent on substrate types. The as-prepared thin films were deposited on alumina, zirconium, zirconium oxide and metallic vanadium substrate, then was annealing under an oxidizing atmosphere at 600C for 10h.
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La 15 Nb x Ge 9 : a superstructure of the Mn 5 Si 3 structure type with interstitial Nb atoms
PublicationThe crystal structure and elementary properties of La15NbxGe9 are reported. Single-crystal X-ray diffraction,from a crystallite with only 0.12 Nb/formula unit, reveals that this compound, although transition metal deficient, crystallizes in a hexagonal “15-1-9”-like structure type, space group P63mc (no. 186) with lattice parameters a = b = 15.5017(2) Å, c = 6.9173(2) Å. The physical properties were examined by specific heat and resistivity...
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Phosphinophosphoranes: Mixed-Valent Phosphorus Compounds with Ambiphilic Properties
PublicationHerein, 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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Capping ligand initiated CuInS2 quantum dots decoration on, ZnIn2S4 microspheres surface under different alkalinity levels resulting in different hydrogen evolution performance
PublicationSurface distribution of quantum dots (QDs) at the semiconductor matrix caused by synthesis condition (e.g. pH of solution during coupling) could lead to different photocatalytic activity. Thus, achieving an optimal covering of semiconductor matrix by QDs has been challenging. Herein, the influence of the alkalinity level of aqueous decoration medium for the coupling of mercaptoundecanoic acid (MUA) capped CuInS2 quantum dots (CIS)...
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublicationAccurate 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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Ligand-Modified Boron-Doped Diamond Surface: DFT Insights into the Electronic Properties of Biofunctionalization
PublicationWith the increasing power of computation systems, theoretical calculations provide a means for quick determination of material properties, laying out a research plan, and lowering material development costs. One of the most common is Density Functional Theory (DFT), which allows us to simulate the structure of chemical molecules or crystals and their interaction. In developing a new generation of biosensors, understanding the nature...
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Developments in the synthesis and biological activity of Glycyl-L-Histydyl-L-Lysine derivatives
PublicationWe emphasize on the methods of the synthesis described in the literature and present the aspects of Gly-His-Lys structure modifications that played a key role in scientific research.
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Synthesis, structure characterization and thermal propertiesof [Zr<sub>6</sub>(μ<sub>3</sub>-O)<sub>4</sub>(μ<sub>3</sub>-OH)<sub>4</sub>(OOCCH<sub>2</sub><sup>t</sup>Bu)<sub>9</sub>(μ<sub>2</sub>-OH)<sub>3</sub>]<sub>2</sub>
PublicationTytułowy związek otrzymano w reakcji Zr(OiPr)4 z nadmiarem kwasu 3,3-dimetylobutyrowego. Rentgenowska analiza strukturalna została wykonana w temperaturze 103 i 153K. Struktury zawierają dimery podjednostek o wzorze: [Zr6(μ3-O)4(μ3-OH)4-(OOCCH2tBu)9] połączonych 6 mostkującymi grupami μ2-OH. Analiza zmiennotemperaturowych...
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Ion recognition properties of new pyridine-2,6-dicarboxamide bearing propeller-like pendant residues: multi-spectroscopic approach
PublicationThe synthesis and ion binding properties of new amide derived from propeller-like tris(2-pyridyl)amine and 2,6-pyridinedicarboxylic acid chloride were described. Amide binds divalent metal cations: copper(II), nickel(II), zinc(II), and lead(II) in acetonitrile. In acetonitrile:water mixture (9:1 v/v) amide interacts only with copper(II) and nickel(II) cations forming complexes of 1:1 stoichiometry. It was found that the introduction...
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Eu2Mg3Bi4: Competing Magnetic Orders on a Buckled Honeycomb Lattice
PublicationThe honeycomb lattice and its derived variants provide information on modeling and designing quantum magnets. A novel magnetic material, Eu2Mg3Bi4, which stabilizes in a previously unknown buckled honeycomb lattice, was discovered by high-pressure and high-temperature methods. We report here on the synthesis exploration of pure single crystals, structural determination of the buckled honeycomb lattice of europium moments, and experimental observation...
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Soft-mode enhanced type-I superconductivity in LiPd2Ge
PublicationThe synthesis, crystal structure, and physical properties (magnetization, resistivity, heat capacity) in combination with theoretical calculations of the electronic structure and phonon properties are reported for intermetallic compounds LiPd2X (X = Si, Ge, and Sn). LeBail refinement of powder x-ray diffraction data confirms that all compounds belong to the Heusler family (space group Fm-3m, No. 225). The lattice parameter increases...
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Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tengcongensis solved ab initio
PublicationPriB is one of the components of the bacterial primosome, which catalyzes the reactivation of stalled replication forks at sites of DNA damage. The N-terminal domain of the PriB protein from the thermophilic bacterium Thermoanaerobacter tengcongensis (TtePriB) was expressed and its crystal structure was solved at the atomic resolution of 1.09 Å by direct methods. The protein chain, which encompasses the first 104 residues of the...
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XRD patterns of V2O5 thin films deposited on silicon substrate
Open Research DataThe DataSet contains the XRD patterns of V2O5 thin films deposited on a silicon substrate. The as-prepared thin films were annealing under an oxidizing atmosphere in the temperature range of 300-600C. The results show that the structure of the films dependent on the annealing temperature.
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Structure evolution of V2O5 thin films deposited on quartz glass substrate - High-Temperature X-ray Diffraction
Open Research DataThe DataSet contains the XRD patterns of V2O5 thin films deposited on guartz glass. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on the quartz glass substrate. The structure was measured in-situ during heating between 50-800°C under synthetic...
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Structure evolution of V2O5 thin films deposited on silicon substrate - High-Temperature X-ray Diffraction
Open Research DataThe DataSet contains the XRD patterns of V2O5 thin films deposited on silicon substrates (111). The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on the silicon substrate. The structure was measured in-situ during heating between 50-800°C under...
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Cobalt(II) tri-tert-butoxysialanethiolates.Synthesis, properties, crystal and molecular structures of [Co{SSi(OtBu)3}2(L)] and[Co{SSi(OtBu)3}2(L)2] type complexes with monodentate nitrogen ligands.
PublicationThe title heteroleptic neutral cobalt(II) tri-tert-butoxysilanethiolate complexes with monodentate nitrogen bases (L) as additional ligands have been prepared by the reactions of [Co{μ-SSi(OtBu)3}{SSi(OtBu)3}(NH3)]2 (1) with respective bases. For pyridine both types have been prepared...
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Two-step Conversion of Crude Glycerol Generated by Biodiesel Production into Biopolyols: Synthesis, Structural and Physical Chemical Characterization
PublicationIn this work biopolyols were synthesized via two-step process from crude glycerol and castor oil. For better evaluation of analyzed process, the impact of its time and temperature on the structure and properties of biopolyols was determined. Obtained results fully justified conducting of synthesis in two steps. Prepared materials were characterized by hydroxyl value and water content comparable to polyols industrially applied in...
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Hydrogen evolution reaction catalyzed by Co-based metal-organic frameworks and their derivatives
PublicationIn this study, Co-bearing Metal-Organic Frameworks (MOFs) are grown via a facile solvothermal process on the surface of two kinds of conductive substrates – titanium dioxide nanotubes (TiO2NT) and fluorine-doped tin oxide (FTO) glass and tested as electrodes in the electrochemical hydrogen evolution reaction (HER). The materials derived from three organic linkers - terephthalic acid (Co-BDC), 2-aminoterephthalic acid (Co-BDCNH2),...
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Evolution of Physical Properties of RE 3 Ni 5 Al 19 Family (RE = Y, Nd, Sm, Gd, Tb, Dy, Ho, and Er)
PublicationSingle crystals of RE3Ni5Al19 series (RE = Y, Nd, Sm, Gd, Tb, Dy, Ho, and Er) are grown using the Al self-flux method. The crystal structure is examined by both single crystal and powder X-ray diffraction. Physical properties are studied for the first time for RE3Ni5Al19 (RE = Y, Nd, Gd, Tb, Dy, Ho, and Er) by means of magnetic susceptibility, electrical resistivity, and heat capacity measurements. Complex magnetic behaviors, with...
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Dual-wavelength polarimeter application in investigations of the optical activity of a langasite crystal
PublicationA method of high accuracy polarimetry, which includes optical activity measurements systematic errors, was realized with dual-wavelength polarimeter for two wavelengths of 635 and 650 nm. Simultaneous measurements with neighboring wavelengths significantly improved the data processing, by increasing the amount of data to eliminate the systematic errors. For langasite crystal La3Ga5SiO14 we measured temperature dependence of the...
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The Influence of the Electrodeposition Parameters on the Properties of Mn-Co-Based Nanofilms as Anode Materials for Alkaline Electrolysers
PublicationIn this work, the influence of the synthesis conditions on the structure, morphology, and electrocatalytic performance for the oxygen evolution reaction (OER) of Mn-Co-based films is studied. For this purpose, Mn-Co nanofilm is electrochemically synthesised in a one-step process on nickel foam in the presence of metal nitrates without any additives. The possible mechanism of the synthesis is proposed. The morphology and structure...
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XRD patterns of V2O5 thin films deposited on quartz glass
Open Research DataThe DataSet contains the XRD patterns of V2O5 thin films deposited on a quartz glass substrate. The as-prepared thin films were annealing under an oxidizing atmosphere in the temperature range 200-600C. The results show that the structure of the films dependent on the annealing temperature.
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<i>N,N</i>'-diphenylthiourea acetone monosolvate
PublicationIn the title compound, C13H12N2S·C3H6O, the phenyl rings of the thiourea molecule are in syn and anti positions in relation to the C=S bond. Two molecules are connected by N-HS=C hydrogen bonds into a centrosymmetric dimer. An additional N-HO=C hydrogen bond to the acetone solvent molecule and some weak C-H interactions reinforce the crystal structure.
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Progress in non-isocyanate polyurethanes synthesized from cyclic carbonate intermediates and di- or polyamines in the context of structure–properties relationship and from an environmental point of view
PublicationCommercially, polyurethanes are produced by the reaction of diisocyanates, polyols (polyester or polyether) and low molecular weight chain extender. Toxicity, moisture sensitivity and phosgene-based synthesis of diisocyanates resulted in investigations focused on obtaining the non-isocyanate polyurethanes (NIPUs). This work presents the review of synthesis and structure–properties relationship of non-isocyanate polyurethanes obtained...
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Thermoplastic polyurethanes derived from petrochemical or renewable resources: A comprehensive review
PublicationThermoplastic polyurethanes (TPUs) materials are obtained by the reaction of polyol (ether-, ester-, and carbonate-based diols with average molecular weight in the range from 1,000 to 3,000 g/mol) with aliphatic or aromatic diisocyanates. Synthesized materials consist of the hard and soft segments which are separated in different level. All mechanical and thermal properties of TPUs depend on the chemical structure of used monomers,...
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Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
PublicationAbstract A series of diaminium thiosulfates, derivatives of diamines: NH2CH2CH(CH3)NH2 (1) and NH2(CH2)nNH2, n = 3-6 (2-5 respectively)and thiosulfuric acid were prepared and their structures determined by crystal X-ray diffraction analysis. Compounds 1, 2 and 4 turned out to be hydrates. The crystal structure of 1,2-proylenediaminium thiosulfate is chiral and exhibits spontaneous resolution. Crystals for both enantiomers...
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Influence of chemical structure on physicochemical properties and thermal decomposition of the fully bio-based poly(propylene succinate-co-butylene succinate)s
PublicationIn this work, two polyesters and four copolyesters were studied. All materials were synthesized to obtain the monomers dedicated for thermoplastic polyurethane elastomers. For this type of PUR, the monomers should characterize by appropriate selected physicochemical properties and macromolecular structure distribution, which depends on synthesis conditions. The study of chemical structure with extensive and knowledgeable analysis...
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Probing the Magnetic Anisotropy of Co(II) Complexes Featuring Redox-Active Ligands
PublicationCoordination complexes that possess large magnetic anisotropy (otherwise known as zero-field splitting, ZFS) have possible applications in the field of magnetic materials, including single molecule magnets (SMMs). Previous studies have explored the role of coordination number and geometry in controlling the magnetic anisotropy and SMM behavior of high-spin (S = 3/2) Co(II) complexes. Building upon these efforts, the present work...
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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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Analiza oddziaływań w kryształach związków zawierających w strukturze pierścień pirydynowy
PublicationMożliwość tworzenia się wiązań wodorowych jest kluczowym parametrem z punktu widzenia inżynierii kryształu, ponieważ wiązania wodorowe mają bezpośredni wpływ na strukturę oraz trwałość sieci krystalicznej. Głównym celem niniejszej rozprawy doktorskiej była analiza porównawcza wiązań wodorowych występujących w układach, zawierających w strukturze pierścień pirydynowy. Badane układy podzielono na: (1) układy ze związkami krzemosiarkowymi...
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Copper(I) iodide ribbons coordinated with thiourea derivatives
PublicationTwo products of the reactions of CuI with 1-benzoyl-3-(4-bromophenyl)thiourea and with 1-benzoyl-3-(2-iodophenyl)thiourea have been obtained and characterized, namely poly[[[1-benzoyl-3-(4-bromophenyl)thiourea-κS]-µ3-iodidocopper(I)] acetone hemisolvate], {[CuI(C₁₄H₁₁BrN₂OS)]‧0.5C₃H₆O}ₙ, and poly-[µ₄-iodido-µ₃-iodido-[N-(benzo[d]thiazol-2-yl)benzamide-κN]dicopper(I)], [Cu₂I₂(C₁₄H₁₀N₂OS)]ₙ. Their structures, determined by single-crystal...
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The new diphosphanylphosphido complexes of tungsten(VI) and molybdenum(VI). Their synthesis, structures and properties
PublicationWe report on the reactivity of R2P–P(Li)–PR’2 (R = tBu, iPr, R’ = NEt2, iPr) towards diimido complexes [(dippN)2MCl2·dme] (M = Mo, W and dipp = 2,6-iPr2C6H3). A series of new complexes with diphosphanylphosphido ligands R2P–P–PR’2 were isolated. The solid-state structures of [(dippN)2M(Cl)(1,2-η-iPr2P–P– PiPr2)] (2Mo and 2W) and [(dippN)2M(Cl){1,2-η-tBu2P–P–P(NEt2)2}] (3Mo and 3W) were established by single-crystal X-ray diffraction...
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N-doped graphene quantum dot-decorated MOF-derived yolk-shell ZnO/NiO hybrids to boost lithium and sodium ion battery performance
PublicationSurface engineering at the nanoscale to obtain robust interface between metal oxides and quantum dots is essential for improving the performance and stability of battery materials. Herein, we designed and prepared novel N-doped graphene quantum dot-modified ZnO/NiO anode materials with a well-defined yolk-shell structure for lithium and sodium-ion batteries. NG QDs were assembled on the ZnO/NiO microspheres using three different...
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New pathways for functionalization of phosphorus ligands
PublicationThe presented dissertation consistsof two main partsand focuses on the synthesis and characterization of new low-valent phosphorus compounds. Thesestudies have already been fully described in three JCR-journals. The first partdescribes the utilization ofselectedphosphanylphosphinidene transition metal complexes as a source of diversified phosphorus ligands. For thispurposethree complexes...
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Synthesis, Characterization and Biological Investigations of Half-Sandwich Ruthenium(II) Complexes Containing Benzimidazole Moiety
PublicationHalf-sandwich Ru(II) complexes belong to group of biologically active metallo-compounds with promising antimicrobial and anticancer activity. Herein, we report the synthesis and characteri- zation of arene ruthenium complexes containing benzimidazole moiety, namely, [(η6-p-cymene)RuC l(bimCOO)] (1) and [(η6-p-cymene)RuCl2(bim)] (2) (where bimCOO = benzimidazole-2-carboxylate and bim = 1-H-benzimidazole). The compounds were characterized...
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Ferromagnetism in Pr-rich binary Pr7Ru3 intermetallic compound
PublicationWe present the synthesis and experimental characterization of the binary intermetallic compound Pr7Ru3. The polycrystalline sample was prepared by arc melting pure Pr and Ru, followed by homogenization at 500 °C and 600 °C for 48 and 89 h, respectively. Powder x-ray diffraction confirms that Pr7Ru3 crystallizes in an orthorhombic crystal structure (Pnma, space group no. 62) with the lattice parameters: a = 7.3606(7) Å, b = 23.120(1)...
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New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds
PublicationNanocrystalline powders of monometallic and bimetallic imidazolates of Co, Zn, and Ag were produced by a reaction carried out in water. The powders were characterized by powder X-ray diffraction and the crystal structures of new compounds Ag2ZnIm4 and Ag2CoIm4 (Im = imidazolate) were solved. Heterometallic Co/Zn imidazolates showed the standard ZIF-8 crystal structure while Ag/Zn and Ag/Co systems were isostructural with the copper...
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Structural properties of superconducting PrBa 2Cu 3O 7−δ single crystals
PublicationThe influence of high-temperature reduction/oxidation treatment on the structural properties of superconducting PrBa2Cu3O7−δ (PrBCO) single crystals was examined. The scanning electron microscopy (SEM) analysis has shown that even the short-lasting exposure to the oxygen-deficient atmosphere leads to creation of regular-shaped crystallites of PrBaO3 and BaCuO2 phases with the size of 0.5 ÷ 2.0 μm on the smooth and flat crystal...
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The Syntheses and Crystal Structures of the First Disiloxane-1,3-dithiol and Its Cadmium Complex.
PublicationThe new silicon–sulfur compound: disiloxane-1,3-dithiol was obtained from silicon disulfide and 2,6-diisopropylphenol in a reaction catalyzed by imidazole or 4-(dimethylamino)pyridine (DMAP). Crystal structure of disiloxane–1,3-dithiol reveals a close-to-linear Si–O–Si angle and a mutual trans position of the two hydrosulfido groups. The compound forms a chelating mononuclear complex with cadmium ions.
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Histaminol and Its Complexes with Copper(II) - Studies in Solid State and Solution
PublicationHistaminol [4(5)-(B-hydroxyethyl)imidazole, 4-(1H-imidazol-2-yl)ethanol, L] is an analogue of histamine and its minor metabolite. So far its properties have not been studied in detail due to the synthetic difficulties. Here, the structure and acid-base properties of histaminol, as well as the results of studies on its copper(II) complexes in solid state and aqueous solution are reported. Stability constants of the histaminol–CuII...
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Calix[4]arene-Thioamides as Ionophores for Transition and Heavy Metal cations
PublicationCalix[4]arene derivatives play an important role as sensing materials in Ion Selective Electrodes(ISEs). Nowadays a high impact is put to control in natural waters the level of toxic heavy metals, like Pb ,Cd, Hg or Cu which may cause the great risk to human health. Our goal was to design and to synthesize ligands possessing ability to bind transition and heavy metal cations. The synthesis, crystal structures,extractive and ionophoric...
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Non-isocyanate Polyurethanes
PublicationThe main aim of this chapter is to present a general overview of the NIPU synthesis method (i.e., polycondensation and polyaddition), and to describe structure and properties of selected intermediates and final polymeric products. The focus is on five-membered ring cyclic carbonate intermediates, which were obtained by cycloaddition of carbon dioxide to selected glycidyl ethers and thiol-ene coupling of unsaturated cyclic carbonates...
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Cluster-spin-glass behavior in new ternary RE2PtGe3 compounds (RE = Tb, Dy, Ho)
PublicationTwo new ternary germanides Tb2Pt1.2Ge2.8, Dy2Pt1.15Ge2.85 and one already known germanium Ho2Pt1.1Ge2.9.were synthesized using an arc melting technique. The obtained samples were investigated by powder X-ray diffraction, which indicated that all of them crystallized in a hexagonal structure with P6/mmm (no. 191) space group. This structure is a disordered variant of the AlB2 aristotype that favors the formation of a spin-glass-like...
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Kinga Kaniewska-Laskowska dr inż.
PeopleEducation BSc - qualification: Engineer in Chemistry 2013: Gdańsk University of Technology, Faculty of Chemistry, Department of Inorganic ChemistryPL thesis title: Kompleksy żelaza z ligandami fosfinidenowymiEN thesis title: Iron complexes with phosphinidene ligands Supervisor: dr hab. inż. Rafał Grubba MSc - qualification: Master of Science in Chemical Technology, spec. Organic Technology 2014: Gdańsk University of Technology,...
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Determination of the chemical structure of potential organic impurities occurring in drug substance opipramol
PublicationThe tricyclic antipsychotic and antidepressant drug opipramol (opipramole) was examined with regard to the chemical structure of its organic impurities. Impurities were isolated from the technical product by chromatographic methods and their chemical structures were established by 1H NMR, MS and FTIR and further confirmed by comparison with commercially available products or with products obtained by independent synthesis, and...
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Structure redetermination, transport and thermal properties of the YNi3Al9 compound
PublicationSingle crystals of completely ordered variant of the YNi3Al9 compound were grown by self-flux method with excess of aluminum. The crystal structure of the title compound was redetermined from single crystal X-ray diffraction data. The structure adopts ErNi3Al9 type, space group R32, parameters of the unit cell a = 7.2838(2) Å, c = 27.4004(8) Å. The growth of relatively large single crystals of the YNi3Al9 compound, having completely...
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The accretion of the new ice layer on the surface of hexagonal ice crystal and the influence of the local electric field on this process
PublicationThe process of creation of a new layer of ice on the basal plane and on the prism plane of a hexagonal ice crystal is analyzed. It is demonstrated that the ordering of water molecules in the already existing crystal affects the freezing. On the basal plane, when the orientations of water molecules in the ice block are random, the arrangement of the new layer in a cubic manner is observed more frequently — approximately 1.7 times...
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The Method of a Two-Level Text-Meaning Similarity Approximation of the Customers’ Opinions
PublicationThe method of two-level text-meaning similarity approximation, consisting in the implementation of the classification of the stages of text opinions of customers and identifying their rank quality level was developed. Proposed and proved the significance of major hypotheses, put as the basis of the developed methodology, notably about the significance of suggestions about the existence of analogies between mathematical bases of...
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Imaging of graphene surface by means of tapping mode AFM
Open Research DataGraphene [1] is a material consisting of carbon planes with a hexagonal structure. One of the facts of interest from a purely scientific point of view is the very high mobility of electrons in the described material, allowing the study of relativistic effects inside a solid sample. Other features, such as bactericidal activity, make graphene an interesting...
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Spin-glass behavior in a binary Pr 3 Ir intermetallic compound
PublicationPolycrystalline Pr3Ir was synthesized by arc melting. Its cementite-type crystal structure (Pnma) was confirmed by powder X-ray diffraction and estimated lattice parameters are in agreement with literature. Physical properties were measured by means of the ac and dc magnetic susceptibility, electrical resistivity and heat capacity. Our results indicate spin-glass behavior in Pr3Ir with a freezing temperature Tf = 6.58 K and activation...