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Wyniki wyszukiwania dla: Mass spectra
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Comment on "Quantitative comparison of analysis methods for spectroscopic optical coherence tomography"
PublikacjaIn a recent paper by Bosschaart et al. [Biomed. Opt. Express 4, 2570 (2013)] various algorithms of time-frequency signal analysis have been tested for their performance in blood analysis with spectroscopic optical coherence tomography sOCT). The measurement of hemoglobin concentration and oxygen saturation based on blood absorption spectra have been considered. Short time Fourier transform (STFT) was found as the best method for...
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Synthesis and Spectroscopic Properties of New Bis-tetrazoles
PublikacjaSyntheses of N,N'-phenyltetrazole podands link with aliphatic chains containing oxygen, nitrogen and sulphur atoms, are described. The complexing properties of these compounds towards metal cations (Fe2+, Cu2+, Zn2+, Co2+, Ni2+) were investigated by absorption and infrared spectroscopy. The UV-Vis titrations were performed to estimate the stability constant values of the respective complexes with Cu2+ ion. Changes in UV-Vis absorption...
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Study of the atomic structure and morphology of the Pt3Co nanocatalyst
PublikacjaThe local structure and chemical disorder of a commercially available Pt3Co nanocatalyst supported on high surface area carbon were investigated. High-quality XAFS spectra were collected at the ELETTRA synchrotron XAFS 11.1 beamline. XAFS spectra analysis have been performed accounting for the reduction of the coordination number and degeneracy of three-body configurations, resulting from transmission electron microscopy (TEM)...
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Molecular geometry and optical activity of helically chiral N-nitrosamines derived from 1,2,3,4-tetrahydro- and 1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline
PublikacjaX-ray crystallographic analysis of the title N-nitrosamines revealed that they assume helical conformations in the solid state. Nitrosamines 1b and 2b were resolved by inclusion crystallization with optically active diols (TADDOLs). The absolute configuration of the guest molecules in the complexes 1b·3b and 2b·3b was assigned as M. The optical activity of the resolved compounds is manifested by their solid state CD spectra, which...
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The XPS spectra of LSCNT sintered at 1200C
Dane BadawczeThe dataset includes XPS spectra of La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s sintered at various temperatures under air atmosphere for 12 h. Samples were produced using aqueous soft chemistry methods (Pechini). The XPS spectra were collected for all species.
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Selection of the lambda parameter for DRT analysis of SrTi0.30Fe0.70O3-d oxygen electrode at 800 °C and 1% oxygen partial pressure
Dane BadawczeThis dataset contains results of selection of the lambda parameter for Distribution of Relaxation Times analysis results for symmetrical cell with porous SrTi0.30Fe0.70O3-d oxygen electrodes sintered at 800 °C. EIS spectra were measured at 800 °C and 1% of oxygen partial pressure. Used lambdas: 5 x 10^(-3), 1 x 10^(-3), 5 x 10^(-4) and 1 x 10^(-4)....
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The XPS spectra of Al2O3/5%Cu prepared using wet impregnation method
Dane BadawczeThe dataset includes XPS spectra of Al2O3/5%Cu catalyst sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods and incipient wettness impregnation using nitrate solution. The XPS spectra were collected for all species.
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The XPS spectra of AlOOH/1%Cu prepared using wet impregnation method
Dane BadawczeThe dataset includes XPS spectra of AlOOH/1%Cu catalyst sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods and incipient wettness impregnation using nitrate solution. The XPS spectra were collected for all species.
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The XPS spectra of ZrO2/5%Cu prepared using wet impregnation method
Dane BadawczeThe dataset includes XPS spectra of ZrO2/5%Cu catalyst sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods and incipient wettness impregnation using nitrate solution. The XPS spectra were collected for all species.
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The XPS spectra of CeO2/5%Cu prepared using wet impregnation method
Dane BadawczeThe dataset includes XPS spectra of CeO2/5%Cu catalyst sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods and incipient wettness impregnation using nitrate solution. The XPS spectra were collected for all species.
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The XPS spectra of SrTiO3/5%Cu prepared using wet impregnation method
Dane BadawczeThe dataset includes XPS spectra of SrTiO3/5%Cu catalyst sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods and incipient wettness impregnation using nitrate solution. The XPS spectra were collected for all species.
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The XPS spectra of AlOOH/5%Cu prepared using wet impregnation method
Dane BadawczeThe dataset includes XPS spectra of AlOOH/5%Cu catalyst sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods and incipient wettness impregnation using nitrate solution. The XPS spectra were collected for all species.
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Raman spectra of CPMH and CPMD
Dane BadawczeThese data contains Raman spectra of CPMH and CPMD. Raman scattering was measured with a RenishawmicroRaman spectrometer (785 nm). Sample abbreviations (CPMH, CPMD) are in agreement with the markings used in the linked publication.
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Absorption and fluorescence spectra of 1,8-diazafluoren-9-one (DFO) in PVA polymer for different concentrations
Dane BadawczeAbsorption and fluorescence spectra of 1,8-diazafluoren-9-one (DFO) in PVA film for different concentrations of dye.
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EPR of TiO2 hydrogenated at 500 and 600oC
Dane BadawczeData contain EPR spectra of TiO2 (anatase phase) heat treated in H2 at 500 and 600oC. Sample heated at 500oC contained 4 wt% of rutile and that at 600oC 8 wt% of rutile.
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Acetaminophen in Friction Ridge Skin Raman Spectra - acetaminophen (paracetamol) Reference and from drugs 2023
Dane BadawczeRaman spectra for acetaminophen (paracetamol) from different drugs and paracetamol reference.
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THERMION-C2S_10 Ionic thermoelectri effect in the phase transition in Cu2Se
Dane BadawczeThe dataset contains results of measurements of the ionic thermoelectric effect in copper selenide with Cu1.99Se and Cu1.8Se compositions. X-Ray diffraction data, SEM images and EDX spectra of the samples are also in the dataset.
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FTIR (Fourier-transform infrared spectroscopy) spectra of titanium dioxide coated nickel foams.
Dane BadawczeThis dataset contains FTIR spectra recorded on a JASCO 4200 spectrometer of nickel foams coated with titanium dioxide after heating at 400, 500 and 600 C and after photocatalytic process with NOx.
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Enhancement of self-trapped excitons and near-infrared emission in Bi3+/Er3+ co-doped Cs2Ag0.4Na0.6InCl6 double perovskite
Dane BadawczeErbium (Er) complexes are used as optical gain materials for signal generation in the telecom C-band at 1540 nm, but they need a sensitizer to enhance absorption. Na+ substitution for Ag+ and Bi3+ doping at the In3+ site is a possible strategy to enhance the broadband emission of Cs2AgInCl6, which could be used as a sensitizer for energy transfer to...
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XPS-TiO2 heated in H2
Dane BadawczeThese XPS spectra were recorded for TiO2 heat-treated at 450-600oC in H2. Surface oxygen groups were determined. Deconvolution of Ti 2p peak allowed to determine Ti3+ on the titania surface.
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FTIR spectra of gas mixtures from the process of biogas dry reforming using CLO catalyst
Dane BadawczeThe dataset contains the FTIR spectra collected during the catalytic measurements of dry reforming of biogas (60/40 CH4-CO2) using Ce0.8La0.2O2 nanocatalyst. The specatra were collected every 1 minute.
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FTIR spectra of gas mixtures from the process of biogas dry reforming using alumina catalyst - blank
Dane BadawczeThe dataset contains the FTIR spectra collected during the catalytic measurements of blank sample Al2O3 for dry reforming of biogas (60/40 CH4-CO2). The specatra were collected every 1 minute.
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Sensing of anesthetic drugs in blood with Raman spectroscopy
PublikacjaA proof-of-concept study of a Raman spectroscopy-based approach for measuring the content of anesthesia drugs in blood is presented. Spectra of spiked blood from several patients exhibit prominent changes in regions associated with the drug.
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SWM for porous hierarchical nanocarbons composites
Dane BadawczeRaw Raman spectra and XRD diffractograms (background subtracted) of 13 among which carbon-derived secondary waste and reference materials.
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Raman spectra and electrochemical data of carbon nanowall with tailored defects
Dane BadawczeThis dataset comprises of Raman spectra aquired with different excitation laser sources and the electrochemical data of defect-induced carbon nanowall electrodes (CNW).
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Luminescence properties of TeOx thin films annealing under an oxidizing atmosphere
Dane BadawczeThe DataSet contains the emission and excitation spectra of TeOx thin films. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. The sol was obtained by vigorously stirring precursor solution at 50°C for 2h, then the temperature was raised...
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Ambiphilic phosphorous compounds
Dane BadawczeResults of theoretical and experimental studies on ambiphilic phosphorous compounds:
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FTIR spectra of gas mixtures from the process of biogas dry reforming using CLO/Cu catalyst
Dane BadawczeThe dataset contains the FTIR spectra collected during the catalytic measurements of dry reforming of biogas (60/40 CH4-CO2) using Ce0.8La0.2O2+10wt.%Cu nanocatalyst. The specatra were collected every 1 minute.
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FTIR spectra of gas mixtures from the process of biogas dry reforming using CeO2/Cu catalyst
Dane BadawczeThe dataset contains the FTIR spectra collected during the catalytic measurements of dry reforming of biogas (60/40 CH4-CO2) using CeO2+10wt.%Cu nanocatalyst. The specatra were collected every 1 minute.
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Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublikacjaThe radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck–Condon (FC), Herzberg–Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and...
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A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations
PublikacjaThe optical properties of a new(bipyridine)2Ru(4H-imidazole) complex presenting a remarkablebroad absorption in the visible range are investigated. Thestrong overlap of the absorption with the solar radiationspectrum renders the studied complex promising as a blackabsorber and hence as a starting structure for applications inthe field of dye-sensitized solar cells. The correlations betweenstructural and electronic features for...
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Detection of propofol concentrations in blood by Raman spectroscopy
PublikacjaIn this paper we present a proof-of-concept of a Raman spectroscopy-based approach for measuring the content of propofol, a common anesthesia drug, in whole human blood, and plasma, which is intended for use during clinical procedures. This method utilizes the Raman spectroscopy as a chemically–sensitive method for qualitative detection of the presence of a drug and a quantitative determination of its concentration. A number of...
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Luminescence properties of TeOx-Eu thin films
Dane BadawczeThe DataSet contains the emission and excitation spectra of TeOx-Eu thin films. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of europium ions were added, the nitrates were used as a source of rare-earth ions. The...
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Luminescence properties of TeOx-Tb thin films
Dane BadawczeThe DataSet contains the emission and excitation spectra of TeOx-Tb thin films. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of terbium ions were added, the nitrates were used as a source of rare-earth ions. The...
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Luminescence properties of TeOx-Dy thin films
Dane BadawczeThe DataSet contains the emission and excitation spectra of TeOx-Dy thin films. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. Next, the 5% mol of dysprosium ions were added, the nitrates were used as a source of rare-earth ions....
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Excited states of isoxazole molecules studied by electron energy-loss spectroscopy
PublikacjaElectron energy-loss spectra were measured in isoxazole in the excitation energy range 3.5−10 eV to investigate the valence excited states. Spectra recorded at different scattering conditions enabled the identification of the singlet and triplet states and the determination of their vertical excitation energies. The two lowest energy triplet bands, ππ* 13A' and ππ* 23A' at 4.20 and 5.30 eV, respectively show vibrational progressions....
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The control software of the portable raman spectrometer
PublikacjaThe paper contains a description of the control software of a portable Raman spectrometer which was built in the Department of Optoelectronics and Electronic Systems Faculty of Electronics, Telecommunications and Informatics Gdansk University of Technology. The software has modular structure, which includes the laser control module and the spectrum acquisition module (laser power selection, working mode and data acquisition time)...
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FTIR-TiO2 heated at 400-600oC in Ar or H2
Dane BadawczeData contain FTIR diffuse eflectance spectra of TiO2, which was heat-treated at 400-600oC in Ar or H2. Hydrogen reduced TiO2 revealed new bands due to the adsorption of some species on the titania oxygen vacancy sites.
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Dielectric Spectroscopy Studies and Modelling of Piezoelectric Properties of Multiferroic Ceramics
PublikacjaCompounds 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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Morphology and structure of ammonium vanadates synthesis by hydrothermal method
Dane BadawczeThe DataSet contains the XRD patterns, FTIR spectra, and scanning electron microscopy (SEM) micrographs of ammonium vanadates synthesis by hydrothermal method from different NH4VO3 precursors. The results reveal that a mixture of (NH4)V4O10xH2O and(NH4)0.76V4O10 was obtained for both precursors, however the contribution of each phase was different for...
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XPS data of deuterium and hydrogen grown boron-doped diamond
Dane BadawczeThe high-resolution C1s X-ray absorption spectra of BDD@H and BDD@D samples were measured using the facilities of the HE-SGM beamline (HE-SGM) at the BESSY II synchrotron radiation source of Helmholtz–Zentrum Berlin (HZB).[90] The measurements were carried out under ultra-high vacuum conditions: P ≈ 2×10−9 Torr at T = 300 K. The NEXAFS spectra were...
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The luminescence study of Sr2TiO4:Sm3+ coumpounds.
Dane BadawczeA luminescent material based on the strontium orthotitanate (Sr2TiO4) matrix doped with 1% of a mole of samarium was obtained using the typical solid-state synthesis method under a neutral atmosphere of nitrogen. The sample was investigated using powder X-ray diffraction (XRD) and several luminescence techniques to study the phase composition, luminescence...
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Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublikacjaThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
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Hydration of amino acids: FTIR spectra and molecular dynamics studies
PublikacjaThe hydration of selected amino acids, alanine, glycine, proline, valine, isoleucine and phenylalanine, has been studied in aqueous solutions by means of FTIR spectra of HDO isotopically diluted in H2O. The difference spectra procedure and the chemometric method have been applied to remove the contribution of bulk water and thus to separate the spectra of solute-affected HDO. To support interpretation of obtained spectral results,...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublikacjaTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Measurements of absorption and emission spectra of tryptophan in solutions of different pH
Dane BadawczeInvestigations of the absorption and fluorescence spectra of tryptophan in different environments were carried out, controlling the pH of the environment and the concentration of tryptophan.
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Efficiency of exciton splitting in organic photovoltaic cells within EQE spectrum
PublikacjaThe paper presents a procedure of estimating the efficiency of exciton splitting at ED/EA interface. The procedure consists in evaluation of splitting of excitons into electron-hole pairs on the basis of the external quantum efficiency spectra of planar cells and spectra of absorbance of active organic layers. The fitting parameters are the exciton splitting probabilities at ED/EA interface. The presented procedure was applied...
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Novel inorganic xerogels doped with CaWO 4 :xDy: Synthesis, characterization and luminescence properties
PublikacjaA series of novel phosphors based on silica xerogel doped with CaWO4:xDy(III) with various concentration of dysprosium ion was synthesized over a temperature of 800 C. The thermal analysis, XRD measurement and spectroscopic investigations of these materials are presented in this study. Steady state luminescence, luminescence excitation spectra as well as emission spectra have been measured. Under the ultraviolet light, the prepared...
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Studies on the influence of β-cyclodextrin derivatives on the physical stability of famotidine
PublikacjaThe usage of Fourier transform infrared spectroscopy, near infrared spectroscopy, differential scanning calorimetry and microscopy is presented in this work focused on the exploration of the effect of CD on the physical stability of famotidine (FAM). The most significant information was achieved by analysis of the second derivatives ofnear infrared (NIR) spectra recorded. Changes in the shape of spectra derivatives allow...
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Multispectral impedance quality testing of coil-coating system using principal component analysis
PublikacjaThe task of quality checking of the coil-coated system was undertaken using impedance spectroscopy. In order to properly characterize the system the new impedance spectrum was calculated as an averaged result of 12 experimental spectra obtained from 12 different places of the sample at the same time of immersion in 3% of NaCl. The experimental spectra were recorded for a 24-h period at 1 h intervals between starting points of each...