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Search results for: SFG-SPECTROSCOPY
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pH-Induced modification to stratum corneum lipids investigated using thermal, spectroscopic, and chromatographic techniques
PublicationZbadano jakim zmianom jakościowym i ilościowym ulegają indywidualne klasy lipidów w Stratum Corneum (tkanka rogowa skóry) pod wpływem środowiska o zmiennym pH.
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Spectroscopic study of atmospheric pressure 915 MHz microwave plasma at high argon flow rate
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Amides as models to study the hydration of proteins and peptides — spectroscopic and theoretical approach on hydration in various temperatures
PublicationInteractions with water are one of the key factors which determine protein stability and activity in aqueous solutions. However, the protein hydration is still insufficiently understood. N-methylacetamide (NMA) is regarded as a minimal part of the peptide backbone and the relative simplicity of its structure makes it a good model for studies on protein–water interactions. In this paper, the influence of NMA and N,N-dimethylacetamide...
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A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublicationIn this theoretical work, we present a spectroscopic analysis of the cis/trans-isomers of a molecular switch, penta-2,4-dienoic acid, attached to gold clusters of different size (1, 2 and 20 gold atoms). We have simulated 4 different spectroscopic techniques: Infrared spectroscopy, normal Raman scattering, absorption spectra and resonance Raman scattering. We discuss how the position and the conformation of the molecule determine...
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Synthesis, Structure, and Spectroscopic Properties of Calcium Thiophenecarboxylate Polymers. Structural Comparison with Analogous Lead Complexes
PublicationThree novel calcium coordination polymers [Ca(2tpCOO)2(2mpa)(H2O)]n (1), [Ca(3tpCOO)2(2mpa)(H2O)]n (2), and {[Ca(3tpacCOO)2(H2O)2]⋅⋅⋅H2O}n (3) (2tpCOO− or 3tpCOO− – thiophene-2- or thiophene-3-carboxylate, 3tpacCOO− – thiophene-3-acetate, 2mpa – 2-methylpropanal), were synthesised using a self-assembly method. The obtained polymers were characterised using SC-XRD, FTIR, UV-Vis DRS, thermogravimetric and luminescence analyses. The...
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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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Spectroscopic studies of Nb-doped tricalcium phosphate glass-ceramics prepared by sol-gel method
PublicationCalcium-phosphate based glasses and glass-ceramics play a crucial role in the tissue engineering development. Apart from their high biocompatibility and excellent ability to undergo varying degrees of resorbability1, they exhibit relatively high bioactivity and due to that they are commonly used as bone and dental implants. A substantial research effort is devoted to improve calcium-phosphate materials physico-chemical properties...
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Investigation of tetrabutylammonium bromide-glycerol-based deep eutectic solvents and their mixtures with water by spectroscopic techniques
PublicationDeep eutectic solvents (DES) are formed by an acceptor and a donor of hydrogen bonds. They are generally considered as a possible alternative to hazardous organic solvents in various fields. Very recently they have also appeared in analytical chemistry, used mainly for the separation of analytes before instrumental quantification. For the development of new extraction procedures, it is important, among other things, to understand...
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Structural investigations of niobium-doped bioactive calcium-phosphate glass-ceramics by means of spectroscopic studies
PublicationSynthetic calcium-phosphate based glasses and glass-ceramics play a crucial role in the development of tissue engineering. These materials have a high biocompatibility with biological analogues, excellent ability to undergo varying degrees of resorbability and due to their non-toxicity and relatively high bioactivity they are commonly used as bone and dental implants. A substantial research effort is devoted to improve synthetic...
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Spectroscopic study of atmospheric pressure 915 MHz microwave plasma at high argon flow rate
PublicationIn this paper results of optical emission spectroscopic (OES) study of atmospheric pressure microwave 915 MHz argon plasma are presented. The plasma was generated in microwave plasma source (MPS) cavity- resonant type. The aim of research was determination of electron excitation temperature Texc gas temperature Tg and electron number density ne. All experimental tests were performed with a gas flow rate of 100 and 200 l/min and...
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Intercalation complex of imidazoacridinone C-1311, a potential anticancer drug, with DNA helix d(CGATCG)2: stereostructural studies by 2D NMR spectroscopy.
PublicationImidazoacridinone C-1311 (Symadex®) is a powerful antitumor agent, which successfully made its way through the Phase I clinical trials and has been recommended for Phase II few a years ago. It has been shown experimentally that during the initial stage of its action C-1311 forms a relatively stable intercalation complex with DNA, yet it has shown no base-sequence specificity while binding to DNA. In this paper, the d(CGATCG)2:C-1311...
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Impedance spectroscopy as a diagnostic tool of degradation of Solid Oxide Fuel Cells = Spektroskopia impedancyjna jako narzędzie diagnostyczne degradacji tlenkowych ogniw paliwowych
PublicationTlenkowe ogniwa paliwowe SOFC sa obecnie bliskie komercjalizacji. Wiedza na temat mechanizmów degradacji ogniw paliwowych jest niezbędna do dalszej poprawy ich działania. Spektroskopia impedancyjna jest skutecznym narzędziem diagnostycznym. Pozwala ona na wskazanie który element ogniwa SOFC ulega pogorszeniu oraz pozwala poznać dokładniej naturę procesu degradacji. W tej pracy degradacja ogniwa SOFC została zbadana przy użyciu...
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Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated β-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results
PublicationThe interaction between sertraline hydrochloride (SRT) and randomly methylated β-cyclodextrin (RM β CD) molecules have been investigated at 298.15 K under atmospheric pressure. The method used—Isothermal Titration Calorimetry (ITC) enabled to determine values of the thermodynamic functions like the enthalpy (DH), the entropy (DS) and the Gibbs free energy (DG) of binding for the examined system. Moreover, the stoichiometry coefficient...
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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublicationIn this work, buckling analysis of functionally graded (FG) nanobeams based on a new refined beam theory has been analyzed. The beam is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new obtained beam theory has only one variable which leads to one equation similar to the Euler beam theory and also is free of any shear correction factor. The equilibrium equation has been...
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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublicationIn this work, buckling analysis of functionally graded (FG) nanobeams based on a new refined beam theory has been analyzed. The beam is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new obtained beam theory has only one variable which lead to one equation similar to Euler beam theory and also is free of any shear correction factor. The...
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Microscopic and Spectroscopic Imaging and Thermal Analysis of Acrylates, Silicones and Active Pharmaceutical Ingredients in Adhesive Transdermal Patches
PublicationDermal or transdermal patches are increasingly becoming a noteworthy alternative ascarriers for active pharmaceutical ingredients (APIs), which makes their detailed physicochemical evaluation essential for pharmaceutical development. This paper demonstrates mid-infrared (FTIR) and Raman spectroscopy with complementary microscopic methods (SEM, optical and confocal Raman microscopy) and differential scanning calorimetry...
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Microscopic and Spectroscopic Imaging and Thermal Analysis of Acrylates, Silicones and Active Pharmaceutical Ingredients in Adhesive Transdermal Patches
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Fourier transform infrared spectroscopic and theoretical study of water interactions with glycine and its N-methylated derivatives
PublicationZbadano hydratację glicyny i jej metylowych pochodnych: N-metyloglicyny (NMG), N,N-dimetyloglicyny (DMG) i N,N,N-trimetyloglicyny (TMG) przy wykorzystaniu spektroskopii FTIR, z zastosowaniem cząsteczki HDO jako sondy molekularnej. Ilościowa wersja metody widm różnicowych pozwoliła na wyizolowanie widma wody zaburzonej przez substancję rozpuszczoną. Wyniki widmowe zostały skonfrontowane z obliczeniami teoretycznymi w ramach teorii...
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Vibrational spectroscopic studies of N,N'-dimethylpropyleneurea-water system: Affected solvent spectra and factor analysis
PublicationZmierzono widma FT-IR układu N,N'-dimetylopropylenomocznik (DMPU) - woda w całym zakresie składów w zakresie 4000-500 cm-1 przy użyciu techniki całkowitego wewnętrznego odbicia (ATR). Hydratacja DMPU została dodatkowo zbadana przy pomocy transmisyjnej spektroskopii FT-IR izotopowo rozcieńczonej HDO w H2O. Widma zanalizowano przy użyciu ilościowej wersji metody widm różnicowych, prowadzącej do wyizolowania widma rozpuszczalnika...
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High yield synthesis and preliminary spectroscopic study of mono-N-alkylated cyclen derivatives of salicylic acid
PublicationW artykule przedstawiono reakcję bezpośredniego alkilowania cyklenu bromopochodnymi kwasu salicylowego. Otrzymane związki wykorzystano do badań spektroskopowych. Stwierdzono, że tworzą one wybiórczo kompleksy z jonami metali grupy II. Wyznaczono stałe tworzących się kompleksów.
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On the efficiency of bile salt for stable suspension and isolation of single-walled carbon nanotubes—spectroscopic and microscopic investigations
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Spectroscopic studies of a ring opening process between epoxy- and aminosilanes and imine formation reactions in aqueous solutions
PublicationNMR and Raman spectroscopy studies were performed for different 3-aminopropyl(trimethoxy)- and 3-glycidoxypropyl (trimethoxy)silane based sol-gel systems containing different ketones. Exceptionally stable imine products were obtained depending on a reaction system at alkaline pH conditions and in the presence of water. These imine formation reactions were carried out without further catalyst. In addition, effect of water for the...
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Syntheses, spectroscopic and structural properties of phenoxysilyl compounds: X-ray structures, FT-IR and DFT calculations
PublicationThe reaction of silicon disulfide with alkylphenols leads to tetraphenoxysilane, cyclodisilthiane and silanethiol. The products of the reaction of silicon disulfide with phenols are characterized by FT-IR, NMR, X-ray diffraction and DFT calculations. The intramolecular interactions in the compounds are mainly XH---π (X = C, S) whereas the intermolecular interactions are either very weak CH---π/CH---O contacts found in aryloxysilane...
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Nano-particle doped hydroxyapatite material evaluation using Spectroscopic Polarization Sensitive Optical Coherence Tomography
PublicationBio-ceramics such as hydroxyapatite (HAp) are widely used materials in medical applications, especially as an interface between implants and living tissues. There are many ways of creating structures from HAp like electrochemical assisted deposition, biomimetic, electrophoresis, pulsed laser deposition or sol-gel processing. Our research is based on analyzing the parameters of the sol-gel method for creating thin layers of HAp....
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublicationThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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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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Application of advanced spectroscopic methods in the assessment of the leachability degree of hazardous elements from the matrix of cellular concretea
PublicationDue to its structure, autoclaved cellular concrete exhibits good insulating properties with relatively high compressive strength values. It is increasingly used in construction because of its economic attractiveness. Autoclaved cellular concrete is mainly used in interior structure layers, and therefore its potential exposure to heavy metal leaching from the matrix may be related to the presence of a high pH medium from other materials...
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Redox State Sensitive Spectroscopy of the Model Compound [(H-dcbpy)(2)Ru-II(NCS)(2)](2-) (dcbpy=2,2 '-Bipyridine-4,4 '-dicarboxylato)
PublicationThe charge transfer reaction mechanism in a ruthenium polypyridine model complex with isothiocyanato ligands, i.e., [(H-dcbpy)(2)Ru(NCS)(2)](2-) 2Bu(4)N(+) (Ru2H) (dcbpy = 2,2'-bipyridine-4,4'-dicarboxylato), has been investigated by combining UV-vis absorption, resonance Raman spectroscopy, and electrochemical methods. Understanding the photophysics of light-harvesting complexes of this class is an indispensable prerequisite to...
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Valence and ionic lowest-lying electronic states of small esters studied by high resolution vacuum ultraviolet photoabsorption, photoelectron spectroscopy and ab initio calculations
PublicationEsters are an important class of oxygenated volatile organic compounds used in food flavorings, perfumes and other cosmetic products. They are present in fruits and pheromones and are emitted to the atmosphere naturally. Esters are also formed in the atmosphere as a product of the oxidation of ethers. Some of them form poly-molecule chains and are used in plastics. Phosphoesters form DNA backbone, while nitroesters are known for...
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Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations
PublicationThe highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator...
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Synthesis, characterization and spectroscopic properties of novel periphery – functionalized unsymmetrical porphyrazines containing mixed dithienylpyrrolyl and dimethylamino groups
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The Influence of PEDOT to PSS Ratio on the Optical Properties of PEDOT:PSS Thin Solid Films - Insight from Spectroscopic Ellipsometry
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Thermal, spectroscopic and luminescence investigations of lanthanide(III) coordination polymers based on V-shaped 4,4′-sulfonyldibenzoic acid
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Biomimetic zinc(II) and cobalt(II) complexes with tri-tert-butoxysilanethiolate and imidazole ligands - structural and spectroscopic studies.
PublicationNowe heteroleptyczne kompleksy tri-tert-butoksysilanotiolanowe Zn(II) i Co(II) z dodatkowymi ligandami imidazolowymi zostały scharakteryzowane strukturalnie i spektralnie. Otrzymano kompleksy o różnych centrach koordynacji w zależności od ligandów imidazolowych. Dla jonów Co(II)otrzymano kompleksy o rdzeniach: NOS2 (z cząsteczką metanolu jako O-donorowy ligand) w związku 2', NO2S2 w 2'', N2S2 w 1, zaś w przypadku jonów Zn(II):...
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Magnetic, Structural and Spectroscopic Properties of Iron(II)-Octacyanoniobate(IV) Crystalline Film Obtained by Ion-Exchange Synthesis
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Spectroscopic and theoretical investigation into substituent- and aggregation-related dual fluorescence effects in the selected 2-amino-1,3,4-thiadiazoles
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Copper(II) complexes of 7-amino-2-methylchromone and 7-aminoflavone: Magneto-structural, spectroscopic and DFT characterization
PublicationFour new complexes of copper(II) consisting of two different chromone derivatives with carbonyl and amine donor atoms: 7-aminoflavone (L1) and 7-amino-2-methylchromone (L2), were synthesized and characterized by X-ray diffraction, UV–Vis, FT-IR, EPR spectroscopy, MS and elemental analysis. In all four compounds, the chromone derivatives were found to act as monodentate O- or N-ligands. The structural characteristics of 1a and...
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Synthetic, Structural, and Spectroscopic Characterization of a Novel Family of High-Spin Iron(II) [(β-Diketiminate)(phosphanylphosphido)] Complexes
PublicationThis work describes a series of iron(II) phosphanylphosphido complexes. These compounds were obtained by reacting lithiated diphosphanes R2PP(SiMe3)Li (R = t-Bu, i-Pr) with an iron(II) β-diketiminate complex, [LFe(μ2-Cl)2Li(DME)2] (1), where DME = 1,2-dimethoxyethane and L = Dippnacnac (β-diketiminate). While the reaction of 1 with t-Bu2PP(SiMe3)Li yields [LFe(η1-Me3SiPPt- Bu2)] (2), that of 1 with equimolar amounts of i-Pr2PP(SiMe3)Li,...
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The influence of polarization of titania nanotubes modified by a hybrid system made of a conducting polymer PEDOT and Prussian Blue redox network on the Raman spectroscopy response and photoelectrochemical properties
PublicationIn this work we show the impact of applied potential on network vibrations and photoelectrochemical properties of a composite material containing hydrogenated titania nanotubes and poly (3,4-ethylenedioxythiophene) with iron hexacyanoferrate (H-TiO2/pEDOT:Fehcf) acting as a redox centre. For this purpose, Raman spectroscopy measurements under the working electrode (WE) polarization were carried out, allowing investigation of changes...
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The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublicationAbstract: Aim and Background: Introducing deuterium to a molecule is of interest to a wide variety of research, including investigation of reaction mechanisms or kinetics, analysis of drug metabolism, structural elucidation of molecules, and syntheses of isotopically labeled materials used for NMR spectroscopy and medicinal research. Objective: The transition-metal-free regioselective deuteration of 2-methylquinolin-8-ol...
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Spectroscopic Characterization of Miniaturized Atmospheric-Pressure dc Glow Discharge Generated in Contact with Flowing Small Size Liquid Cathode
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Thermal and spectroscopic profiles variation of cold-pressed raspberry seed oil studied by DSC, UV/VIS, and FTIR techniques
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Temperature Coefficient of Electronic Polarizability in Thin Polymer Films Deposited on Si and SiO2 Substrates Determined via Spectroscopic Ellipsometry
PublicationEllipsometry is widely used to determine the thermo-optical properties of thin polymer films. However, if the thermo-optic coefficient (TOC) and the linear thermal expansion coefficient (LTEC) are to be used to determine the temperature coefficient of electronic polarizability (TCEP) in thin polymer films, their values must be determined with the greatest possible accuracy, as both have the opposite effect. In this article,...
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Geochemical fractionation and spectroscopic fingerprinting for evaluation of the environmental transformation of potentially toxic metal(oid)s in surface–subsurface soils
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Binuclear Co(II), Zn(II) and Cd(II) tri-tert-butoxysilanethiolates. Synthesis, crystal structure and spectroscopic studies.
PublicationA series of Co(II), Zn(II) and Cd(II) complexes have been synthesized in reaction of respective metal tri-tert-butoxysilanethiolates with pyrazine 1 and 2 and 1,2-bis(2-pyridyl)ethylene 3–5. All compounds have been characterized by single-crystal X-ray structure determination, elemental analysis, FT-IR and thermogravimetry. Obtained complexes are bimetallic with the formula of [M{SSi(OtBu)3}2(μ-L)]2 and metal ions bridged by N,N′-spacer....
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Enhanced Spectroscopic Insight into Acceptor-Modified Barium Strontium Titanate Thin Films Deposited via the Sol–Gel Method
PublicationIn the present paper, composite thin films of barium strontium titanate (BaxSr1−xTiO3) with an acceptor modifier (magnesium oxide—MgO) were deposited on metal substrates (stainless steel type) using the sol–gel method. The composite thin films feature BaxSr1−xTiO3 ferroelectric solid solution as the matrix and MgO linear dielectric as the reinforcement, with MgO concentrations ranging from 1 to 5 mol%. Following thermal treatment...
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Tailoring optical constants of few-layer black phosphorus coatings: Spectroscopic ellipsometry approach supported by ab-initio simulation
Publication2D black phosphorus (BP) has attracted extensive attention as an anisotropic platform for novel optoelectronic and polarizing optics applications. Insight into the factors that tune the optical and polarizing properties of 2D BP reveals their essential influence on BP-based photonic and optoelectronic devices. In this work, studies of the optical constants of few-layer black phosphorus coatings are studied and discussed, with particular...
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublicationThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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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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Corrosion behaviour of low carbon steel in artificial seawater using TP, LP, EIS, Harmonic Analysis (HA) and new method Dynamic Electrochemical Impedance Spectroscopy (DEIS)
PublicationZe względu na istotną rolę technik elektrochemicznych w badaniach procesów korozyjnych są one szeroko stosowane w monitorowaniu korozji. Celem niniejszej pracy jest zgromadzenie rezultatów wyników doświadczalnych uzyskanych różnymi technikami i znalezienie korelacji między nimi. Własności korozyjne stali stopowej (AISI 1026) w sztucznej wodzie morskiej zostały zbadane z wykorzystaniem ekstrapolacji tafelowskiej (TP), polaryzacji...