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Search results for: spectroscopic
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Surface and Corrosion Properties of AA6063-T5 Aluminium Alloy in Molybdate-containing Sodium Chloride Solutions
PublicationCorrosion properties of aluminium alloy AA6063-T5 were investigated in molybdate-containing NaCl solutions. Electrochemical, microscopic, and spectroscopic experiments were utilized to examine the mechanism of corrosion inhibition by molybdates. SEM-EDX, magnetic force, and intermodulation electrostatic force microscopy data suggested that the inhibition initiation preferentially occurred over Fe-rich cathodic IMPs. Spectroscopic...
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Efficient three-dimensional fluorescence measurements for characterization of binding properties in some plants
PublicationThe main aim of this research was to characterize some plants and to determine their similarities and differences, using spectroscopic methods. The interactions of soluble polyphenols of different plants with human serum albumin (HSA) were investigated by 3D-fluorescence. The obtained fluorescence results allow to classify the investigated plants according to their binding properties. The HSA-binding capacities of these plants...
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Modyfikacja kompozytów elastomerowych NR za pomocą ligniny i glicerolizatu
PublicationPrzedmiotem opisanych w niniejszym artykule badań są wulkanizaty kauczuku naturalnego. Celem pracy było zbadanie wpływu ligniny oraz glicerolizatu na wybrane właściwości kompozytów zawierających kauczuk naturalny. Strukturę chemiczną przygotowanych materiałów potwierdzono, wykorzystując analizę spektroskopową w podczerwieni (FTIR). Zbadano również właściwości mechaniczne przy statycznym rozciąganiu, twardość, ścieralność oraz odbojność...
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Nanoparticles displacement analysis using optical coherence tomography
PublicationOptical coherence tomography (OCT) is a versatile optical method for cross-sectional and 3D imaging of biological and non-biological objects. Here we are going to present the application of polarization sensitive spectroscopic OCT system (PS-SOCT) for quantitative measurements of materials containing nanoparticles. The PS-SOCT combines the polarization sensitive analysis with time-frequency analysis. In this contribution the benefits...
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Molecular Design Using Selected Concentration Effects in Optically Activated Fluorescent Matrices
PublicationMolecular physics plays a pivotal role in various fields, including medicine, pharmaceuticals, and broader industrial applications. This study aims to enhance the methods for producing specific optically active materials with distinct spectroscopic properties at the molecular level, which are crucial for these sectors, while prioritizing human safety in both production and application. Forensic science, a significant socio-economic...
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The adiabatic potentials of low-lying electronic states of the NaRb molecule
PublicationAdiabatic potential energy curves and spectroscopic constants have been calculated for the NaRb molecule. The results of ten states of the symmetry Σ+, six states of the symmetry Π, and two states of the symmetry Δ are obtained by the nonrelativistic quantum chemical method used with pseudopotentials describing the interaction of valence electrons with atomic cores. Analysis is based on a comparison with the results of other theoretical...
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Graphene Oxide as Mine of Knowledge: Using Graphene Oxide To Teach Undergraduate Students Core Chemistry and Nanotechnology Concepts
PublicationThe aim of this laboratory experiment is to utilize graphene oxide (GO) material to introduce under-graduate students to many well-known concepts of general chemistry. GO is a new nanomaterial that has generated worldwide interest and can be easily produced in every well-equipped undergraduate chemical laboratory. An in-depth examination of GO synthesis, as well as a study of its structure and properties, allows students to familiarize...
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Studies on optical transmittance of boron-doped nanocrystalline diamond films
PublicationThickness is one of the most important parameters in many applications using thin layers. This article describes thickness determination of a boron-doped nanocrystalline diamond (NCD) grown on fused silica glass. A spectroscopic measurement system has been used. A high refractive index (2.3 at 550nm) was achieved for NCD films. The thickness of NCD samples has been determined from the transmission spectrum.
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Transport Mechanism of Paracetamol (Acetaminophen) in Polyurethane Nanocomposite Hydrogel Patches—Cloisite® 30B Influence on the Drug Release and Swelling Processes
PublicationThis article describes the swelling and release mechanisms of paracetamol in polyurethane nanocomposite hydrogels containing Cloisite® 30B (organically modified montmorillonite). The transport mechanism, swelling and release processes of the active substance in nanocomposite matrix were studied using gravimetric and UV-Vis spectroscopic methods. Swelling and release processes depend on the amount of clay nanoparticles in these...
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ThreSpect – A Program for the Determination of the Appearance Energies of Neutral and Ionized Species
PublicationCollisions of photons and charged particles with molecules lead to their excitation, ionization, and dissociation into neutral and ionized fragments. Accurately determining thresholds of the formation of particular products plays a vital role in analyzing processes occurring during these interactions. Therefore, we present a computer program, “ThreSpect,” that allows calculating threshold energies of various species generated in...
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Deposition and characterization of organic polymer thin films using a dielectric barrier discharge with different C2Hm/N2 (m = 2, 4, 6) gas mixtures
PublicationOrganic polymer thin films have been deposited on Si(100) and aluminum coated glass substrates by a dielectric barrier discharge (DBD) operated at medium pressure using different C2Hm/N2 (m = 2, 4, 6) gas mixtures. The deposited films were characterized by various spectroscopic techniques. Fourier transform infrared reflection absorption spectroscopy (FT-IRRAS) revealed the chemical functional groups present in the films. The surface...
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Access to Side-On Bonded Tungsten Phosphanylphosphinidene Complexes
PublicationMetathesis reactions between diimido complexes of tungsten(VI)[(ArN)2WCl2] (Ar = 2,6-iPr2C6H3) and lithium derivatives of diphosphanes R2P-P(SiMe3)Li (R = tBu and iPr) yield two anionic diimido complexes of tungsten with side-on bonded phosphanylphosphinidene ligands, [(ArN)2WCl(η2-R2P-P)]-. Both complexes are structurally characterized. A possible reaction mechanism and the role of donor solvents are discussed on the basis of...
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Photoresponsive, amide-based derivative of embonic acid for anion recognition
PublicationThe synthesis and ion-binding properties of amide-based derivative of embonic acid andp-aminoazobenzenewere described. The new compound was characterized by X-ray structural analysis and spectroscopic methods.Ligand interacts in acetonitrile with Y-shaped anions (benzoates and acetates) and dihydrogen phosphatesforming complexes of 1:1 stoichiometry. In more polar DMSO the complexes stoichiometry changes to 2:1(L:anion). Light-inducedtranstocisisomerization...
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A study on the interaction of rhodamine B with methylthioadenosine phosphorylase protein sourced from an Antarctic soil metagenomic library.
PublicationThe presented study examines the phenomenon of the fluorescence under UV light excitation (312 nm) of E. coli cells expressing a novel metagenomic-derived putative methylthioadenosine phosphorylase gene, called rsfp, grown on LB agar supplemented with a fluorescent dye rhodamine B. For this purpose, an rsfp gene was cloned and expressed in an LMG194 E. coli strain using an arabinose promoter. The resulting RSFP protein was purified...
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Aggregation of Rhodamine 6G in titanium dioxide nanolayers and bulk xerogels
PublicationNanolayers and bulk xerogels of Rhodamine 6G (Rh6G) in titanium dioxide (Rh6G/TiO2) were prepared using the sol–gel method. The spectroscopic and structural properties of these two types of hybrid matrices were studied as a function of dye concentration. In both cases absorption, fluorescence and time resolved emission spectra show the formation of fluorescent aggregates. The observed stronger changes in characteristics of bulk...
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FTIR, Raman spectroscopy and HT-XRD in compatibility study between naproxen and excipients
PublicationDetection of incompatibility between an active pharmaceutical ingredient (API) and excipients, including the selection of the most biopharmaceutical advantageous excipients is extremely important in the pre-formulation process of developing a solid dosage form technology. Therefore, having fast and reliable methods for identifying incompatibility is fundamental in pharmaceutical technology. For this purpose, combined Fourier transform...
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Photoelectron spectroscopy of brominated derivative of pyrimidine: 2-bromopyrimidine
PublicationIn this study the brominated derivative of pyrimidine, 2-bromopyrimidine, was investigated by photoelectron spectroscopy. Outer valence photoelectron spectra recorded at 21.22, 45 and 100 eV photon energy for this compound are presented. The recorded spectra have a higher resolution than that previously reported in the literature. The bromine 3d and 3p edge photoelectron spectra have also been recorded in a photon impact experiment...
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Synthesis and structure determination of 2,3-diaryl-9,9-dioxo-1H-9-thia-1,4,4a,7,10-pentaazaphenanthrene-2-ols
Publication3-Amino-1,1-dioxopyrido[4,3-e]-1,4,2-dithiazine has been synthesized and applied to the synthesis of 3-amino-2-(4-thioxo-1,4-dihydropyridin-3-ylsulfonyl)guanidine. The reaction of the aminoguanidine with the appropriate 1,2-diarylethane-1,2-diones afforded 2,3-diaryl-9,9-dioxo-1H-9-thia-1,4,4a,7,10-pentaazaphenanthrene-2-ol derivatives. The structure of these compounds, which represent a novel heterocyclic ring system, was confirmed...
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Functionalized azobenzocrown ethers as sensor materials—The synthesis and ion binding properties
PublicationNew 13- and 16-membered azobenzocrown ethers with aromatic amino, amide, ether–ester or ether–amide residue in para position to an azo moiety were obtained. Acid–base properties and ion binding ability of the colored compounds were studied by spectroscopic methods: UV–vis, fluorimetry and 1H NMR spectroscopy. Selected azobenzocrowns were tested as ionophores in ion-selective membrane electrodes (ISEs) – classic and miniature all...
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A competition between two- and three-body dissociation channels in photo-double-ionization of tetrahydro-2H-pyran and 3,4-dihydro-2H-pyran molecules
PublicationVarious molecules possess structures consisting of the heterocyclic rings containing oxygen atoms. These substances often play a significant role in many different fields of chemistry, medicine, and biology. Due to a specific atomic composition and bond arrangement, many of these molecules retain unique electronic properties, which may be probed by diverse spectroscopic techniques, including those utilizing synchrotron radiation....
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Inhibitive effect of sodium molybdate on corrosion of AZ31 magnesium alloy in chloride solutions
PublicationIn this work, corrosion inhibition of the AZ31 magnesium alloy was investigated in NaCl solutions containing different amounts of sodium molybdate inhibitor. Electrochemical, hydrogen evolution, microscopic, and spectroscopic experiments were utilized to examine the mechanism of corrosion inhibition by molybdates. The results showed that Na2MoO4 inhibitor provides reliable inhibition at high concentrations (150 mM). Surface examination...
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Fully scalable one-pot method for the production of phosphonic graphene derivatives
PublicationGraphene oxide was functionalized with simultaneous reduction to produce phosphonated reduced graphene oxide in a novel, fully scalable, one-pot method. The phosphonic derivative of graphene was obtained through the reaction of graphene oxide with phosphorus trichloride in water. The newly synthesized reduced graphene oxide derivative was fully characterized by using spectroscopic methods along with thermal analysis. The morphology...
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Theoretical study of highly-excited states of KRb molecule
PublicationSemi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a0. The diatomic molecule is treated as an effective two-electron system by using the large core pseudopotentials and core polarization potentials. All calculations are performed by using the nonrelativistic CASSCF/MRCI method with accurate basis...
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Effect of native air-formed oxidation on the corrosion behavior of AA7075 aluminum alloys
PublicationThe microstructure of aluminum alloys plays a key role in their corrosion resistance. In particular, the presence of intermetallic precipitates differing in the potential from the alloy matrix induces local corrosion. The study presents the effect of native air-formed oxidation on the corrosion behavior of AA 7075 aluminum alloy. Various microscopic and spectroscopic techniques were used to examine the changes occurring in the...
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The influence of anchoring group position in ruthenium dye molecule on performance of dye-sensitized solar cells
PublicationThe effect of anchoring group position and, in consequence, the orientation of the ruthenium dye molecule on titania surface on the performance of dye-sensitized solar cells has been studied intensively. Three model ruthenium sensitizing dyes bearing carboxylic anchoring group in ortho, meta or para position were synthesized and well characterized by spectroscopic, electrochemical, photophysical and photochemical measurements....
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Synthesis and properties of carboxy derivative of Epidian 6 monomethacrylate (in English)
PublicationWe present the synthesis of an oligomer with carboxy and methacrylic groups based on Epidian 6. The effect of the catalyst nature and amount, solvent nature and process temperature on the rate of the reaction between Epidian6 monomethacrylate and adipic acid was examined at 313, 323 and 333 K in the presence of 4-dimethylaminopyridine, 1,4-diazobicyclo[2.2.2]octane, and benzyltriammonium chloride. The synthesized oligomer was characterized...
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Configurational and Conformational Preferences in Stereoselective Acylations of N-Methyl-1,3-diaminopropane with Acyl Chlorides
PublicationEvidence for a stereoinduction profile of the reaction of N-methyl-1,3-diaminopropane with acyl chlorides was provided. A possibility to engage in intramol. CH2···HN and Cl···H-N interactions and the proton migration process to the methylamino group leads to the E secondary amides carrying the N···H+···N or N-H···N bridges, that show unusual spectroscopic images. Empirical relations between the ΔδC chem. shift differences,...
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On thio‐substituted N‐heterocyclic arsines
PublicationMetathesis of N-heterocyclic chloroarsines with sulfur-based nucleophiles furnished thio-substituted 1,3,2-diazarsolidines and 1,3,2-diazarsolenes. Crystallographic and NMR spectroscopic studies revealed that a thiocyanato-diazarsolene exhibits a salt-like structure composed of weakly interacting thiocyanate and arsenium ions, while the remaining products formed neutral molecules. The structural data indicate that the heterocyclic...
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Aqueous Molybdate Provides Effective Corrosion Inhibition of WE43 Magnesium Alloy in Sodium Chloride Solutions
PublicationCorrosion and corrosion inhibition of WE43 magnesium alloy were investigated in NaCl solutions containing different amounts of sodium molybdate. Electrochemical, microscopic, and spectroscopic experiments were utilized to examine the mechanism of corrosion inhibition by molybdates. Electrochemical data showed that Na2MoO4 inhibitor provides reliable inhibition at concentrations at and above 100 mM. Raman and XPS spectroscopy demonstrated...
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Label‐free optical detection of cyclosporine in biological fluids
PublicationIn this paper, a spectroscopic method for determination of cyclosporine concentrations in biological fluids is presented. Blood plasma and hemoglobin solutions are chosen for the experiment. For various cyclosporine concentrations in blood plasma and hemoglobin, absorbance measurements in spectra range from 600 to 1100 nm are performed. The measurement results are analyzed by the use of a dedicated algorithm. The obtained data...
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Electronic structure and time-dependent description of rotational predissociation of LiH
PublicationThe adiabatic potential energy curves of the ^1Sigma+ and ^1Pi states of the LiH molecule were calculated. They correlate asymptotically to atomic states, such as 2s + 1s, 2p + 1s, 3s + 1s, 3p + 1s, 3d + 1s, 4s + 1s, 4p + 1s and 4d + 1s. A very good agreement was found between our calculated spectroscopic parameters and the experimental ones. The dynamics of the rotational predissociation process of the 1^1Pi state were studied...
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Optical Emission Spectroscopy of Microwave (915 MHz) Plasma in Atmospheric Pressure Nitrogen with Addition of Ethanol Vapour
PublicationIn this paper results of optical emission spectroscopic study of microwave 915 MHz plasma in atmospheric pressure nitrogen with an addition of ethanol vapour are presented. The plasma was generated in waveguide- -supplied cylinder-type nozzleless microwave plasma source. The aim of research was to determine the rotational Trot and vibrational Tvib temperatures of CN and C2. A method called bubbling was employed to introduce alcohol (ethanol)...
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Green thermoplastic poly(ether-urethane)s – synthesis, chemical structure and selected properties investigation
PublicationThis work aimed to characterize the effect of the monomers chemical structure on the selected properties of the green thermoplastic poly(ether-urethane)s. During synthesis two types of polyether biopolyols, 4,4′-diphenylmethane diisocyanate and bio-based 1,3-propanediol were employed. Materials were synthesized with the use of two step method and two different prepolymers, which were mixed together in equimolar quantities. Obtained...
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Dissociative photo-double-ionization of the isoxazole molecules
PublicationThe five-membered heterocyclic rings are incorporated into a wide variety of structures that play a vital role in many biochemical processes. In particular, the isoxazole molecule appears in many bioactive compounds due to its unique ring structure that consists of one oxygen atom and one nitrogen atom at adjacent positions. The unique atomic composition and bond arrangement of isoxazole imply its specific electronic properties...
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Cation sensing by diphenyl-azobenzocrowns
PublicationMetal cations complexation and proton binding by 13- and 16-membered diphenyl-azobenzocrowns and diphenyl-hydroxyazobenzocrowns were studied in acetonitrile using spectroscopic methods: UV–vis spectroscopy, spectrofluorimetry, and 1H NMR spectroscopy. Phenyl moieties in benzene rings were found to affect binding strength alkali and alkaline earth metal cations and hydrogen ion, and affect tautomeric equilibrium of hydroxyazobenzocrowns....
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IZOLACJA I IDENTYFIKACJA NATURALNYCH SUBSTANCJI BARWIĄCYCH OBECNYCH W PRÓBKACH FARB ARTYSTYCZNYCH I TKANINACH POCHODZENIA HISTORYCZNEGO
PublicationNatural organic dyes are group of substances that belong to various types of chemical compounds. The most commonly used in paintings and dyeing textiles were naturally occurring dyestuffs from group of anthraquinones, flavones and indigoid dyes. Identification of coloring substances present in historical artistic paints provides relevant information for a wide range of specialists dealing with works of art and in the field of conservation science....
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Fluorescence studies by quenching and protein unfolding on the interaction of bioactive compounds in water extracts of kiwi fruit cultivars with human serum albumin
PublicationThe main aim of this investigation was to characterize new kiwi fruit cultivars after cold storage treatment and to determine the similarities and differences between them, using spectroscopic methods. The chemometric comparison of kiwi fruit cultivars based on physicochemical indices during cold storage was carried out. All kiwi fruit cultivars showed a high level of correlation between the contents of phenolic compounds (polyphenols,...
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Synthesis of novel dinuclear ruthenium polypyridine dye for dye-sensitized solar cells application
PublicationA new dinuclear ruthenium(II) polypyridine complex has been successfully synthesized. The new compound has been characterized by spectroscopic and electrochemical methods. Its potential application as a sensitizing dye in dye-sensitized solar cells has been checked under AM 1.5 G irradiation conditions (100 mW cm−2) and its performance was compared to that of a commercially available mononuclear analogous dye. The overall light-to-electricity...
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Are stabilizing osmolytes preferentially excluded from the protein surface? FTIR and MD studies
PublicationInteractions between osmolytes and hen egg white lysozyme in aqueous solutions were studied by means of FTIR spectroscopy and molecular dynamics. A combination of difference spectra method and chemometric analysis of spectroscopic data was used to determine the number of osmolyte molecules interacting with the protein, and the preferential interaction coefficient in presented systems. Both osmolytes – L-proline and trimethylamine-N-oxide...
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Fluorescence of p-hydroxyazobenzocrowns – Tautomeric equilibrium effect
PublicationThe spectroscopic properties of a series of para-hydroxyazobenzocrowns, including three novel compounds, were investigated using UV–Vis absorption and emission spectroscopy. This study presents, for the first time, determined quantum yield (QY) values for macrocycles of this category, ranging between 0.122 and 0.195. The highest values were obtained for crowns bearing two phenyl substituents in benzene rings. The impact of aromatic...
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Rearrangement of azoxybenzocrowns into chromophoric hydroxyazobenzocrowns and the use of hydroxyazobenzocrowns for the synthesis of ionophoric biscrown compounds
PublicationThe Wallach rearrangement was used as a method for preparing p-hydroxyazobenzocrown ethers starting from different azoxybenzocrowns as substrates. Synthesis of a series of p-hydroxyazobenzocrowns under modified conditions and characterization of the obtained products are presented. o-Hydroxyazobenzocrowns were identified among the products of the photochemical rearrangement of azoxybenzocrowns. Novel biscrowns were synthesized...
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Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets
PublicationThe article presents adiabatic potential energy curves of the ground and excited electronic states for the diatomic NaK molecule. The calculations were made using the ab initio computational methods to include electron correlation. The studied molecule was calculated as the effective two-electron problem, in which only the valence electrons of the molecule are explicitly taken into account. The remaining electrons with atomic nuclei...
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Solvent-Free Synthesis of Phosphonic Graphene Derivative and Its Application in Mercury Ions Adsorption
PublicationFunctionalized graphene was efficiently prepared through ball-milling of graphite in the presence of dry ice. In this way, oxygen functional groups were introduced into material. The material was further chemically functionalized to produce graphene derivative with phosphonic groups. The obtained materials were characterized by spectroscopic and microscopic methods, along with thermogravimetric analysis. The newly developed material...
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Excitation energy transfer in partly ordered polymer films differing in donor and acceptor transition moments orientation
PublicationBased on spectroscopic measurements selected properties of nonradiative Förster energy transport are studied in uniaxially stretched polyvinyl alcohol thin films for three systems differing in donor and acceptor transition moments orientation relative to the axis of stretching. In particular, donor – acceptor emission anisotropy spectra yield completely different regularities for these systems in uniaxially stretched films, whereas...
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Ellipsometric study of carbon nitride films deposited by DC-magnetron sputtering
PublicationWe report the optical properties of a carbon nitride (CNx) film as a function of nitrogen concentration (N/C) of the deposited film. As nitrogen concentration is increased (N/C ratio) in a CNx film, the refractive index and band gap also increase. The real and imaginary parts, n and k (refractive index and extinction coefficient) of the complex refraction index of carbon nitride films were determined by spectroscopic ellipsometry...
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Dendron to Central Core S1–S1 and S2–Sn (n>1) Energy Transfers in Artificial Special Pairs Containing Dendrimers with Limited Numbers of Conformations
PublicationTwo dendrimers consisting of a cofacial free-base bisporphyrin held by a biphenylene spacer and functionalized with 4-benzeneoxomethane (5-(4-benzene)tri-10,15,20-(4-n-octylbenzene)zinc(II)porphyrin) using either five or six of the six available meso-positions, have been synthesized and characterized as models for the antenna effect in Photosystems I and II. The presence of the short linkers, -CH2O-, and long C8H17 soluble side...
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Palladium versus Platinum: The Metal in the Catalytic Center of a Molecular Photocatalyst Determines the Mechanism of the Hydrogen Production with Visible Light
PublicationTo develop highly efficient molecular photocatalysts for visible light-driven hydrogen production, a thorough understanding of the photophysical and chemical processes in the photocatalyst is of vital importance. In this context, in situ X-ray absorption spectroscopic (XAS) investigations show that the nature of the catalytically active metal center in a (N^N)MCl2 (M=Pd or Pt) coordination sphere has a significant impact on the...
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Detection of petroleum products using optical coherence tomography
PublicationIn this work, we present a novel method developed for the analysis of the properties of thin layers for detecting petroleum products on a water surface using a commercially available optical coherence tomography (OCT) system. The spectral density analysis of the signal from a spectroscopic OCT (S-OCT) enables us to perform the precision calculation of the thin layer thickness and other properties like homogeneity, and dispersion,...
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Chromogenic azomacrocycles with imidazole residue: Structure vs. properties
PublicationNew diazo macrocycles linked by hydrocarbon chain bearing imidazole or 4-methylimidazole residue have been synthetized with satisfactory yield (24–55%). The structure of macrocycles was confirmed by X-ray analysis and spectroscopic methods (1H NMR, MS, FTIR). Metal cation complexation studies were carried out in acetonitrile and acetonitrile-water system. It was found that azomacrocyles form triple-decker complexes with lead(II)....
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Influence of temperature and interactions with ligands on dissociation of dsDNA and ligand-dsDNA complexes of various types of binding : an electrochemical study.
PublicationSeveral medicinally important compounds that bind to dsDNA strands via intercalation (C-1311, C-1305, EtBr), major groove binding (Hoechst 33258) and covalent binding (cis-Pt) were examined. The obtained results suggest that both the transfer of conformation B to C and the denaturation process, for the ligand-dsDNA complexes, except for covalently bound cis-Pt, took place at higher temperatures compared to the unbound helix. Furthermore,...