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Search results for: 1h nmr spectroscopy
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Characterization of nano-silica vegetable grease with diffusing wave spectroscopy DWS and Raman spectroscopy
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Utilizing pulse dynamics for non-invasive Raman spectroscopy of blood analytes
PublicationNon-invasive measurement methods offer great benefits in the field of medical diagnostics with molecular-specific techniques such as Raman spectroscopy which is increasingly being used for quantitative measurements of tissue biochemistry in vivo. However, some important challenges still remain for label-free optical spectroscopy to be incorporated into the clinical laboratory for routine testing. In particular, non-analyte-specific...
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DETERMINATION OF SP3 FRACTION IN ta-C COATING USING XPS AND RAMAN SPECTROSCOPY
PublicationThe paper presents results of studies on the structure of tetrahedral amorphous carbon films (ta-C) with a thickness in the range from 20 to 280 nm, deposited using pulsed vacuum arc technique with an electromagnetic Venetian blind plasma filter. The results of the phase structure analysis, obtained using visible Raman spectroscopy and UV Raman spectroscopy methods, showed a strong dependence of the results on the presence, on...
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Structure-based design and evaluation of novel N-phenyl-1H-indol-2-amine derivatives for fat mass and obesity-associated (FTO) protein inhibition
PublicationFat mass and obesity-associated (FTO) protein contributes to non-syndromic human obesity which refers to excessive fat accumulation in human body and results in health risk. FTO protein has become a promising target for anti-obesity medicines as there is an immense need for the rational design of potent inhibitors to treat obesity. In our study, a new scaffold N-phenyl-1H-indol-2-amine was selected as a base for FTO protein inhibitors...
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Non-invasive blood glucose monitoring with Raman spectroscopy: prospects for device miniaturization
PublicationThe number of patients with diabetes has reached over 350 million, and still continues to increase. The need for regular blood glucose monitoring sparks the interest in the development of modern detection technologies. One of those methods, which allows for noninvasive measurements, is Raman spectroscopy. The ability of infrared light to penetrate deep into tissues allows for obtaining measurements through the skin without its...
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(1H-Pyrazole-[kappa]N)bis(tri-tert-butoxysilanethiolato-[kappa]2O,S)cadmium
PublicationThe CdII atom in the title complex, [Cd(C12H27O3SSi)2-(C3H4N2)], is penta-coordinated by two O and two S atoms from the O,S-chelating silanethiolate residue and one pyrazole N atom in a distorted trigonal-bipyramidal geometry. The pyrazole ligand forms an intramolecular N-H---O hydrogen bond.
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Local impedance spectroscopy of membranes
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Advances in Atomic and Molecular Spectroscopy
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The Microwave Sources for EPR Spectroscopy
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The gyrotron source for the EPR spectroscopy
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Local impedance spectroscopy of membranes
PublicationCelem niniejszej publikacji jest zaprezentowanie zastosowania techniki Lokalnej Elektrochemicznej Spektroskopii Impedancyjnej (LEIS) do uzyskania lokalnej charakterystyki membran. Membranę wykonaną z polichlorku winylu (PCV), plastyfikowaną sebacynianem bis(2etyloheksylu) i domieszkowaną boranem tetradodecyloamoniowym zbadano pod kątem równomiernego rozkładu przewodnictwa na powierzchni badanej próbki. Lokalne pomiary impedancyjne,...
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Correction methods in impedance spectroscopy
PublicationW pracy przedstawiono trzy grupy metod, ktÓre mogą być zastosowane do korekcji danych pomiarowych uzyskanych za pomoca spektroskopii impedancyjnej.
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Remote Monitoring System for Impedance Spectroscopy using Wireless Sensor Network
PublicationThe architecture of a miniaturized impedanceanalyser with wireless communication module for remoteImpedance Spectroscopy (IS) of anticorrosion coatings ondifficult-to-reach objects (e.g. on the steel construction ofthe bridge) is described in this paper. Some practical aspectsof implementation of a Wireless Sensor Network (WSN) arealso discussed. A low scale, middle range, WSN networkcomposed of a Base Station (BS) with a Personal...
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Electron impact fragmentation of pyrrole molecules studied by fluorescence emission spectroscopy
PublicationThe fluorescence emission spectroscopy using electron impact excitation technique was employed to study fragmentation processes of the gas phase pyrrole molecules. The following excited fragmentation species were observed by detection of their fluorescence decay: the atomic hydrogen H(n), n = 4-7 and the diatomic CH(A2Δ), CN(B2Σ+), NH(A3Π) and C2(d3Πg) fragments. These atomic and molecular products differ from those previously...
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Detection of Denatonium Benzoate (Bitrex) Remnants in Noncommercial Alcoholic Beverages by Raman Spectroscopy
PublicationIllegal alcoholic beverages are often introduced into market using cheap technical alcohol, which is contaminated by denatonium benzoate (Bitrex) of very small concentration. Bitrex is the most bitter chemical compound and has to be removed before alcohol consumption. The home-made methods utilize sodium hypochlorite to disintegrate particles of denatonium benzoate in alcohol and to remove bitter taste before trading. In this experimental...
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Mixture model of NMR - its application to diagnosis and treatment of brain cancer
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Structural Model of the Bilitranslocase Transmembrane Domain Supported by NMR and FRET Data
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O-256 Evaluation of the fertility potential of semen using Proton NMR
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Local electrochemical impedance spectroscopy in dynamic mode of galvanic coupling
PublicationA novel method that combines local electrochemical impedance spectroscopy and mapping in dynamicmode is proposed. Method was validated over two galvanic couplings, namely zinc/copper and cad-mium/copper. Impedance spectrum response for all measuring points was obtained by means ofsimultaneous implementation of selected range of frequencies. Proposed method allows the measure-ment in a more time-efficient manner, at the same time...
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Ultrastructural analysis of the submandibular sialoliths: Raman spectroscopy and electron back-scatter studies
PublicationThe aim of work was the epidemiological analysis of the occurrence of sialolithiasis of the submandibular gland in adults and the evaluation of the ultrastructure of salivary stones. The study sample consisted of 44 sialoliths. Analysis of the structure and chemical composition of sialoliths was performed using a Scanning Electron Microscope and Raman Spectroscopy. Comparing our results with the literature we can say that the epidemiology...
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Agnieszka Witkowska dr hab. inż.
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Colored Tattoo Ink Screening Method with Optical Tissue Phantoms and Raman Spectroscopy
PublicationDue to the increasing popularity of tattoos among the general population, to ensure their safety and quality, there is a need to develop reliable and rapid methods for the analysis of the composition of tattoo inks, both in the ink itself and in already existing tattoos. This paper presents the possibility of using Raman spectroscopy to examine tattoo inks in biological materials. We have developed optical tissue phantoms mimicking...
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Dissolution of Nb-doped hydroxyapatite prepared via low-temperature mechanochemical method: Spectroscopy studies
PublicationCalcium phosphate glass ceramics with nominal hydroxyapatite stoichiometry doped with niobium were synthesized using simple as well as low-temperature mechanochemical method and then in the form of compressed pellet were submitted to the static dissolution process in distilled water for one month. The results of structural analysis, performed mainly on the base of spectroscopic methods such as: infrared absorption spectroscopy,...
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Chemical Characteristics and Thermal Oxidative Stability of Novel Cold-Pressed Oil Blends: GC, LF NMR, and DSC Studies
PublicationPlant oils contain a high content of unsaturated fatty acids. Studies of food products have revealed a considerable disproportion in the ratio of ω6 to ω3. This article presents information on the healthful qualities of eight new oil blends that contain a beneficial proportion of ω6 to ω3 fatty acids (5:1), as well as their degradation during heating at 170 and 200 °C. The fatty acid profile was analyzed by gas chromatography (GC),...
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Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublicationThe thermally induced self-healing mechanisms in metallopolymers based on bisterpyridine complexes of iron(II) sulfate and cadmium(II) bromide, respectively, were studied by means of combined quantum mechanical/molecular mechanical (QM/MM) simulations and Raman spectroscopy. Two possible healing schemes, one based on a decomplexation of the cross-linking complexes and a second one relying on the dissociation of ionic clusters,...
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Determination of pitting corrosion stage of stainless steel by galvanodynamic impedance spectroscopy
PublicationThis paper investigates the methodology for differentiation of multistep process of pitting corrosion of AISI 304 stainless steel in the environment of iron (III) chloride. Measurements were performed using Galvanodynamic Electrochemical Impedance Spectroscopy (GDEIS). Application of this methodology allowed monitoring of natural corrosion process without external current (IDC = 0A) nor potential perturbation of the system. Applied...
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JOURNAL OF NEAR INFRARED SPECTROSCOPY
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublicationDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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A strong preference for the TA/TA dinucleotide step discovered for an acridine-based, potent antitumor dsDNA intercalator, C-1305: NMR-driven structural and sequence-specificity studies
PublicationTriazoloacridinone C-1305, a potent antitumor agent recommended for Phase I clinical trials, exhibits high activity towards a wide range of experimental colon carcinomas, in many cases associated with complete tumor regression. C-1305 is a well-established dsDNA intercalator, yet no information on its mode of binding into DNA is available to date. Herein, we present the NMR-driven and MD-refined reconstruction of the 3D structures...
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Journal of Spectroscopy
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Solvent effects on the nitrogen NMR chemical shifts in 1-methylazoles – a theoretical study
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Theoretical analysis of solvent effects on nitrogen NMR chemical shifts in oxazoles and oxadiazoles
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X-ray and NMR structural studies of the series of porphyrazines with peripheral pyrrolyl groups
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Analyzer for spectroscopy of low-impedance objects
PublicationW artykule przedstawiono analizator umożliwiający pomiar impedancji w zakresie 1 ohma < |Zx| < 100 Mohma. Zastosowano w nim nowe rozwiązania dotyczące obwodu wejściowego i techniki detekcji fazoczułej sygnałów pomiarowych. Obwód wejściowy zaprojektowano w postaci 5-zaciskowej sondy pomiarowej, która umożliwia ograniczenie wpływu rezystancji, indukcyjności i pojemności pasożytniczych na błąd pomiaru impedancji w szerokim przedziale...
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Raman spectroscopy in investigation of rheometric processes
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Integrating Optical Spectroscopy and Chemometric Methods
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Impedance spectroscopy of single chamber SOFC.
PublicationMechanizm działania jednokomorowego ogniwa paliwowego SOFC, które pracuje w mieszaninie powietrza i paliwa, nie jest do końca zbadany. W tej pracy przedstawiono wyniki badań ogniwa paliwowego zbudowanego z tlenku cyrkonu stabilizowanego itrem jako nośnego elektrolitu, cermetu z tlenku niklu jako anody i perovskitu LSCF jako katody w temperaturach 500-700C z użyciem mieszaniny propanu i powietrza. Wykorzystując spektroskopię impedancyjną...
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Impedance spectroscopy of undoped cerium oxide.
PublicationW pracy przedstawiono badania impedancyjne niedomieszkowanego tlenku ceru. Wyniki wskazują na występowanie zjawiska dyfuzji,???? które nie są (.. jest.?)związane z odpowiedzią elektrodową. Rozważania teoretyczne dopuszczają obserwowanie impedancji Warburga, która reprezentuje zjawisko dyfuzji w przewodnikach mieszanych, jednakże niewiele informacji na ten temat można znaleźć w literaturze. W związku z tym szczegółowe badania zródła...
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Raman spectroscopy in investigation of rheometric processes
PublicationPraca porusza problem analizy cienkiej warstwy przyściennej -oleju za pomocą spektroskopii ramanowskiej. Parametry (grubość, struktura chemiczna) cienkiej warstwy przyśniennej są istotną informacją do oceny przebiegu procesu wyciskania past modelowych. Zaprezentowano wyniki pomiarów oraz konstrukcje ramanowskich układów pomiarowych.
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Time-of-flight spectroscopy for medical applications.
PublicationW pracy przedstawiono korzyści optycznej spektroskopii czasu przelotu, w zastosowaniach medycznych. Przedstawiono także zasadę pomiarów oraz pokazano, jak z danych pomiarowych można wyznaczyć podstawowe parametry optyczne tkanki. Potencjał pomiarowy optycznej spektroskopii czasu przelotu zaprezentowano na przykładzie pomiarów ośrodków silnie rozpraszających światło jakimi są: papier, cicze technologiczne z papierni, wodne roztwory...
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Application of NIR and Raman Spectroscopy in Biotechnology
PublicationStudium Press LLC, U.S.A.
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Saturation ESR spectroscopy of PA12 polyamide
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Charge-based deep level transient spectroscopy of B-doped and undoped polycrystalline diamond films
PublicationThe undoped and B-doped polycrystalline diamond thin film was synthesized by hot filament chemical vapor deposition and microwave plasma, respectively. The structural characterization was performed by scanning electron microscopy, X-ray diffraction and Raman spectroscopy. The electrical properties of synthesized diamond layer were characterized by dc-conductivity method and charge deep level transient spectroscopy. The B-doped...
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Application of quartz crystal microbalance and dynamic impedance spectroscopy to the study of copper corrosion inhibitors
PublicationThe study investigates the application of Dynamic Electrochemical Impedance Spectroscopy (DEIS) and Electrochemical Quartz Crystal Microbalance (EQCM) techniques to examine the corrosion inhibition of copper by Benzotriazole and Sodium Folate in a 0.1 M NaCl solution. DEIS, an advanced version of Electrochemical Impedance Spectroscopy (EIS), allows for real-time monitoring of non-stationary electrochemical systems,...
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Dielectric Spectroscopy Studies and Modelling of Piezoelectric Properties of Multiferroic Ceramics
PublicationCompounds and solid solutions of bismuth ferrite (BiFeO3)—barium titanate (BaTiO3) system are of great scientific and engineering interest as multiferroic and potential high-temperature lead-free piezoelectric materials. In the present paper, the results of research on the synthesis and characterisation of 0.67Bi1.02FeO3–0.33BaTiO3 (67BFBT) ceramics in terms of crystal structure and dielectric and piezoelectric properties are reported....
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The Optical Coherence Tomography and Raman Spectroscopy for Sensing of the Bone Demineralization Process
PublicationThe presented research was intended to seek new optical methods to investigate the demineralization process of bones. Optical examination of the bone condition could facilitate clinical trials and improve the safety of patients. The authors used a set of complementary methods: polarization-sensitive optical coherence tomography (PS-OCT) and Raman spectroscopy. Chicken bone samples were used in this research. To stimulate in laboratory...
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Mössbauer Spectroscopy and Magnetoelectric Effect Studies of Multiferroic Ceramics Based on BiFeO<sub>3</sub>
PublicationIn this work the results of investigations for (BiFeO3)x(BaTiO3)1-x and Bi1-xNdxFeO3 solid solutions are described. Samples were prepared by the conventional solid-state sintering method. X-ray diffraction, 57Fe Mössbauer spectroscopy, and magnetoelectric effect measurements were applied as complementary methods to determine the structure and magnetic properties of materials. For (BiFeO3)x(BaTiO3)1-x solid solutions Mössbauer...
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Measurement system for nonlinear surface spectroscopy by atomic force microscopy for corrosion processes monitoring
PublicationIn addition to traditional imaging the surface, atomic force microscopy (AFM) enables wide variety of additional measurements. One of them is higher harmonic imaging. In tapping mode the nonlinear contact between tip and specimen results in higher frequency vibrations. More information available from the higher harmonics analysis proves to be helpful for more detailed imaging. Such visualization is especially useful for heterogeneous...
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Low temperature broad band dielectric spectroscopy of multiferroic Bi6Fe2Ti3O18 ceramics
PublicationIn the present research the tool of broadband dielectric spectroscopy was utilized to characterize dielectric behavior of Bi6Fe2Ti3O18 (BFTO) Aurivillius-type multiferroic ceramics. Dielectric response of BFTO ceramics was studied in the frequency domain (Δν=0.1Hz – 10MHz) within the temperature range ΔT=-100°C – 200°C. The Kramers-Kronig data validation test was employed to validate the impedance data measurements and it was found...
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Andrzej Okuniewski dr inż.
PeopleEducation 2010-2014: Department of Inorganic Chemistry, Faculty of Chemistry, Gdańsk University of TechnologyPhD in chemical sciences (chemical sciences - chemistry, inorganic chemistry) 2009-2010: Faculty of Chemistry, Gdańsk University of TechnologyMaster of Chemistry (applied chemistry) 2005-2009: Faculty of Chemistry, Gdańsk University of Technologychemical engineer (applied chemistry) 2002-2005: II High School Władysław Pniewski...