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Lower rim substituted p-tert-butylcalix[4]arene; Part 14. Synthesis, structures and binding studies of calix[4]arene thioamides
PublicationA number of p-tert-butylcalix[4]arene thioamides were synthesized and characterized by 1H-NMR and elemental analysis. Compounds 1-5 are O-substituted derivatives with -CH2-C(=S)-N-X groups, where NX = morpholidyl, NEt2, NHC2H4Ph, NHCH2Ph and NHEt,respectively. The X-ray structures of the ligands 1, 3, 5 and of the complex 3Pb(ClO4)2, (compound 6), are presented and their slightly distorted cone conformation is established. The...
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Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublicationNew salts of thiophenol with three flexible aliphatic diamines H2N(CH2)nNH2 (n = 2, 4 and 6) have been synthesized and characterized by elemental analyses, IR spectroscopy and X-ray crystallography in order to analyze their supramolecular architecture. Structural analyses indicate that in the crystals, proton transfer has occurred, with the –SH group giving (+)N–H···S(−) hydrogen bonding interaction. The structure of compound 1...
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Modeling of behavior of organic pollutants in aquatic and related ecosystems
PublicationW pracy omówiono możliwości wykorzystania różnych modeli do opisu zjawisk migracji oraz przemian w środowisku wodnym ksenobiotyków z grupy trwałych zanieczyszczeń organicznych (TZO). Przedstawiono charakterystykę zarówno modeli otwartych, jak i zamkniętych w warunkach ustalonych, jak i w warunkach nierównowagowych.
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Structure-property relationships disclosed in the family of acridinium esters – chemiluminogenic molecules of great practical importance
PublicationAcridinium esters (AE), since their introduction to the analytics 30 years ago, make one of the most important groups of chemiluminogenic (CL) systems, that have been employed in medical diagnostics and environmental analysis today. So far, however, no systematic studies on the structureproperty relationships were carried out in this family of compounds. The latter features likely determine their practical utility and facilitate...
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Degradation of metal implants covered with silver
PublicationSilver was known for its antibacterial properties as long ago as in antiquity. The silver ions have ability to join the bacteria surface. Low density of silver ions Ag+ influence the protons through the bacteria surface, which results in total destruction of the cell. Antibacterial activity of silver remains in proportion with the density of silver ions Ag+ in the environment.
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Family Tree for Aqueous Organic Redox Couples for Redox Flow Battery Electrolytes: A Conceptual Review
PublicationRedox flow batteries (RFBs) are an increasingly attractive option for renewable energy storage, thus providing flexibility for the supply of electrical energy. In recent years, research in this type of battery storage has been shifted from metal-ion based electrolytes to soluble organic redox-active compounds. Aqueous-based organic electrolytes are considered as more promising electrolytes to achieve “green”, safe, and low-cost...
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Glutathione-mediated conjugation of anticancer drugs: an overview of reaction mechanisms and biological significance for drug detoxification and bioactivation.
PublicationThe effectiveness of many anticancer drugs depends on the creation of specific metabolites that may alter their therapeutic or toxic properties. One significant route of biotransformation is a conjugation of electrophilic compounds with reduced glutathione, which can be non-enzymatic and/or catalyzed by glutathione-dependent enzymes. Glutathione usually combines with anticancer drugs and/or their metabolites to form more polar...
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The impact of lipophilicity on environmental processes, drug delivery and bioavailability of food components
PublicationLipophilic properties of the compound allow to predict its fate in living organisms and to propose the models of chemicals transport and accumulation in the ecosystem. Lipophilicity is also useful as the characteristic of chemicals in respect to their optimal attributes for specific biological and non-biological tasks. The lipophilicity descriptors define the potency of endo- and xenobiotics to metabolic transformations and their...
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Water uptake and energetics of the formation of barium zirconate based multicomponent oxides
PublicationA group of multi-component oxides based on BaZrO3 have been prepared using a solid-state reaction method and examined in terms of their water uptake and thermodynamics of formation. Depending on the type and amount of acceptor substitution, the synthesized compounds exhibit various proton defect concentrations, reaching up to 0.2 mol/mol for a compound containing 10 different elements in the B-sublattice, where 50% of them are...
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Constrained aerodynamic shape optimization using neural networks and sequential sampling
PublicationAerodynamic shape optimization (ASO) involves computational fluid dynamics (CFD)-based search for an optimal aerodynamic shape such as airfoils and wings. Gradient-based optimization (GBO) with adjoints can be used efficiently to solve ASO problems with many design variables, but problems with many constraints can still be challenging. The recently created efficient global optimization algorithm with neural network (NN)-based prediction...
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Chemical Composition of Atmospheric Air in Nemoral Scots Pine Forests and Submountainous Beech Forests: The Potential Region for the Introduction of Forest Therapy
PublicationStudies show that forests are one of the main recreational destinations. This can be explained by their beneficial effects on the health of their visitors, which can be attributed to compounds from the terpene group. The aim of this research was to determine the chemical composition of air in the interiors of Nemoral Scots pine forests and submountainous beech forests, with the determination of compounds of the terpene group. Samples...
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Krylov Space Iterative Solvers on Graphics Processing Units
PublicationCUDA architecture was introduced by Nvidia three years ago and since then there have been many promising publications demonstrating a huge potential of Graphics Processing Units (GPUs) in scientific computations. In this paper, we investigate the performance of iterative methods such as cg, minres, gmres, bicg that may be used to solve large sparse real and complex systems of equations arising in computational electromagnetics.
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Determination of pharmaceuticals in fish: method optimization and occurrence in different species from Mediterranean rivers
PublicationThe multi-residue analytical method developed, based on accelerated solvent extraction, gel permeation chromatography purification and UPLC-MS/MS analysis allowed the simultaneous determination of 21 pharmaceuticals. Recoveries obtained for most of the target compounds were higher than 50%. The application of UPLC-MS/MS operating in the MRM mode, with two transitions monitored for each compound, provided good sensitivity and selectivity....
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Dynamical properties of ordered Fe–Pt alloys
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Effect of iron oxide impregnated in hollow carbon sphere as symmetric supercapacitors
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Hollow carbon spheres loaded with uniform dispersion of copper oxide nanoparticles for anode in lithium- ion batteries
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Strengthening mechanism and precipitate evolution of a multi-application special engineering steel designed based on a hybrid idea
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Ultrathin NiO confined within hollow carbon sphere for efficient electrochemical energy storage
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Dynamical properties of pnictide ZnSnP2 from ab initio calculations
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Ultra-stable sandwich shaped flexible MXene/CNT@Ni films for high performance supercapacitor
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Enhancement of SrSi2O2N2:Eu2+ phosphor by means of oxygen to nitrogen control
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The role of compensation defects in Eu3+ stabilization under reductive atmosphere in Sr2SiO4 matrix
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White emitting GeO2PbO Bi2O3SrF2 glass and nano-glass ceramics co-doped with Eu3+, Tb3+ and Tm3+ ions
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Phosphorus modified hollow, porous Nickel-Cobalt oxides nanocubes with heterostructure for oxygen evolution reaction in alkaline
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Composition engineering of Tb3-xGdxAl5-yGayO12:Ce single crystals and their luminescent, scintillation and photoconversion properties
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Phytochemical Examination of Woolly Burdock Arctium tomentosum Leaves and Flower Heads
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PbGa2GeS6 crystal as a novel nonlinear optical material: Band structure aspects
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Thallium indium germanium sulphide (TlInGe2S6) as efficient material for nonlinear optical application
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Experimental and theoretical analyses of the nonlinear optical effects in magnesium and copper co-doped zinc oxide nanorods
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Structural ordering of laser-processed FePdCu thin alloy films
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Bifunctional magnetic-upconverting luminescent cellulose fibers for anticounterfeiting purposes
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Electrical properties of Y0.08Sr0.92Ti0.92Nb0.08O3_−delta after reduction in different reducing conditions
PublicationPraca przedstawia badania właściwości elektrycznych perowskitów Y0.08Sr0.92Ti0.92Nb0.08O3−ı redukowanych w różnych warunkach termicznych. Obserwowano wysoką przewodność elektryczną próbek redukowanych w atmosferze amoniaku. Przewodność Y0.08Sr0.92Ti0.92Nb0.08O3−ı redukowanego w amoniaku w 1500 ◦C była rzędu 600 S/cm w 200 ◦C. Przewodność elektryczna próbek redukowanych w amoniaku w 1500 ◦C była stabilna zarówno w atmosferze wodoru...
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Chemical diffusion and surface exchange in selected Ln–Ba–Sr–Co–Fe perovskite-type oxides
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Microstructure and properties of an AZ61 alloy after extrusion with a forward-backward oscillating die without preheating of the initial billet
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The river water influence on cationic and anionic dyes collection by nickel foam with carbonized metal-organic frameworks and carbon nanotubes
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Core/shell structured Ti/Si/C composite for high-performance zinc-ion hybrid capacitor
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Enhancement of thermal stability of multiwalled carbon nanotubes via different silanization routes
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Diameter sensitive effect in singlewalled carbon nanotubes upon acid treatment
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Catalyst-free synthesis, morphology evaluation and photocatalytic properties of pristine and calcinated titanate nanorods
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Preliminary study towards photoactivity enhancement using a biocompatible titanium dioxide/carbon nanotubes composite
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Synthesis of nickel nanocapsules and carbon nanotubes via methane CVD
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The covalent and non-covalent conjugation of graphene oxide with hydroxycamptothecin in hyperthermia for its anticancer activity
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Rapid development of the photoresponse and oxygen evolution of TiO2 nanotubes sputtered with Cr thin films realized via laser annealing
PublicationRecently, earth abundant transition metal oxides have gained particular attention as potential catalyst candidates due to their availability and low-cost comparing to substrates containing precious Pt or Au species. Herein, we present characterization of morphology, structure and electrochemical properties of pulsed 532 nm laser treated TiO2 nanotubes (NT) sputtered by the thin film of chromium. Scanning electron microscopy enables...
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Structure and thermoelectric properties of Bi–Te alloys obtained by novel method of oxide substrates reduction
PublicationA novel method of thermoelectric materials fabrication has been developed. Oxide reagents have been melted at high temperature in air, quenched, milled to powder and reduced in hydrogen to form Bi–Te alloys. Structural and thermoelectric properties of samples have been investigated depending on initial composition and temperature of reduction process. Sample 25Bi2O3–75TeO2 reduced at 340 °C for 10 h has been found to be a p-type...
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Correlation between partial inhibition of hydrogen evolution using thiourea and catalytic activity of AB5-type hydrogen storage alloy towards borohydride electrooxidation
PublicationDirect borohydride fuel cells (DBFCs) are devices which directly convert the chemical energy stored in the borohydride ion and oxidant into electrical energy as a result of redox reactions. Unfortunately, a significant amount of fuel is lost as a result of the undesirable hydrolysis reaction. The selection of an efficient borohydride hydrolysis inhibitor requires detailed knowledge regarding the interaction mechanism between the...
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Cyclic behavior of FeCoCrNiMn high entropy alloy coatings produced through cold spray
PublicationeCoCrNiMn high entropy alloy powders were employed to produce coatings on carbon steel through high pressure cold spray (at 1100 °C and 7 MPa in temperature and pressure respectively). X-ray diffraction of the sprayed material revealed a dense coating with the retention of the original crystallographic structure. Once splatted, particles revealed high flattening ratio with consequent excellent adhesion of the coating to the substrate....
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Magnetoelectric, spectroscopic, optical and elastic properties of Co-doped BaTiO3 ceramics
Publicationhe BaTiO3 perovskite is widely used in the electronic technology due to its dielectric, piezoelectric and ferroelectric properties and is a well-known base for obtaining a promising multifunctional material. In this paper we report the extensive studies on the Co-doped BaTiO3 ceramics for the wide range cobalt content. Full structural characterization of studied samples in a 20–450 K range was provided. The results of research...
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Impedance monitoring of corrosion degradation of plasma electrolytic oxidation coatings (PEO) on magnesium alloy
PublicationImpedance technique based on continuous multisinusoidal current perturbation was used to explain degradation process of plasma electrolytic oxidation coatings (PEO) on magnesium alloy. An obtained impedance spectrum was fitted by electrical equivalent circuit to describe properties of conversion layer on magnesium alloy. Additionally, galvanostatic mode maintained during experiment, with DC current equal to zero, allowed to achieve...
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Structural and physical characterization of NpPt2In7
PublicationA new neptunium intermetallic compound, NpPt2In7, has been synthesized in polycrystalline form and characterized by several macroscopic techniques. A Rietveld analysis of its powder x-ray diffraction pattern shows that NpPt2In7 crystallizes in a tetragonal lattice with I4/mmm symmetry and lattice parameters a = 4.58471(3) Å, c = 21.5065(3) Å. Magnetic susceptibility, electrical resistivity, Hall effect, and heat capacity measurements indicate...
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Synthesis, single crystal growth and properties of Sr 5 Pb 3 ZnO 12
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