Search results for " Spectra"
showing 10 items of 709 documents
On Complex Formation between 5-Fluorouracil and β-Cyclodextrin in Solution and in the Solid State: IR Markers and Detection of Short-Lived Complexes …
2020
In this work, the nuclear magnetic resonance (NMR) and IR spectroscopic markers of the complexation between 5-fluorouracil (5-FU) and &beta
Conformational Properties of Oxazole-Amino Acids: Effect of the Intramolecular N–H···N Hydrogen Bond
2014
Oxazole ring occurs in numerous natural peptides, but conformational properties of the amino acid residue containing the oxazole ring in place of the C-terminal amide bond are poorly recognized. A series of model compounds constituted by the oxazole-amino acids occurring in nature, that is, oxazole-alanine (L-Ala-Ozl), oxazole-dehydroalanine (ΔAla-Ozl), and oxazole-dehydrobutyrine ((Z)-ΔAbu-Ozl), was investigated using theoretical calculations supported by FTIR and NMR spectra and single-crystal X-ray diffraction. It was found that the main feature of the studied oxazole-amino acids is the stable conformation β2 with the torsion angles φ and ψ of -150°, -10° for L-Ala-Ozl, -180°, 0° for ΔAl…
Melatonin: Structural characterization of its non-enzymatic mono-oxygenate metabolite
2003
Oxidation of melatonin by Fenton reagents as well as with hypochlorous acid or oxoferryl hemoglobin has been investigated. Analysis of products by low resolution/mass spectra (MS), high resolution/MS, 1H-nuclear magnetic resonance (NMR), 13C-NMR, correlated spectroscopy (COSY) and heterocorrelated spectroscopy (HETCOR) 2D NMR reveals the formation of a single mono-oxygenated product under all conditions and unequivocally assigns the N-[2-(5-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-ethyl]-acetamide structure, which had not been previously considered.
Paramagnetic Cobalt and Nickel Derivatives of Alcaligenes denitrificans Azurin and Its M121Q Mutant. A 1H NMR Study
1996
Using cobalt or nickel to replace copper in native azurin allows one to fingerprint the metal coordination site of the protein. The metal sites of wild type Alcaligenes denitrificans azurin and its M121Q mutant are clearly distinguishable through the paramagnetic 1H NMR spectra of the Ni(II) and Co(II) derivatives. In the wild type azurin, Gly45 coordinates to nickel or cobalt, while Met121 appears as a weak metal ligand. On the contrary, in the M121Q azurin mutant, the metal exhibits a clear preference for the Gln121, which coordinates through the side chain carbonyl oxygen, and Gly45 is not a ligand. Changes in the isotropic shifts and relaxation properties of signals from the Cys112, His…
Metabolomic by 1H NMR Spectroscopy Differentiates “Fiano Di Avellino” White Wines Obtained with Different Yeast Strains
2013
We employed (1)H NMR spectroscopy to examine the molecular profile of a white "Fiano di Avellino" wine obtained through fermentation by either a commercial or a selected autochthonous Saccharomyces cerevisiae yeast starter. The latter was isolated from the same grape variety used in the wine-making process in order to strengthen the relationship between wine molecular quality and its geographical origin. (1)H NMR spectra, where water and ethanol signals were suppressed by a presaturated T1-edited NMR pulse sequence, allowed for definition of the metabolic content of the two differently treated wines. Elaboration of NMR spectral data by multivariate statistical analyses showed that the two d…
NMR Study of Multiferroic Iron Niobate Perovskites
2015
NMR Study of Multiferroic Iron Niobate Perovskites K. Kou°il, V. Chlan, H. t¥pankova, R. ezni£ek, V.V. Laguta and I.P. Raevski Charles University in Prague, Faculty of Mathematics and Physics, V Hole2ovi£kach 2, 180 00 Prague 8, Czech Republic Institute of Physics AS CR, Cukrovarnicka 10, 162 00 Prague 6, Czech Republic Institute of Physics, Southern Federal University, Rostov on Don 344090, Russia We present Nb, Pb and Ba NMR study of multiferroic lead iron niobate and barium iron niobate ceramics. We ascribe development of NMR spectra on cooling below room temperature to magnetism of ferric ions close to resonating nuclei and introduce a framework capable of describing key features of t…
Intravitreal therapies for non-neovascular age-related macular degeneration with intraretinal or subretinal fluid
2017
OBJECTIVE: To evaluate the efficacy of intravitreal therapies in cases of atrophic age-related macular degeneration (AMD) with subretinal or intraretinal fluid. METHODS: A retrospective review was made of the clinical charts of patients diagnosed with atrophic AMD with subretinal or intraretinal fluid. Fundus photographs and spectral-domain optical coherence tomography images were examined, and an analysis was made on the presence of fluid and its density. Neovascularisation was ruled out by fluorescein and/or indocyanine green angiography. RESULTS: The study included 14 eyes from 13 patients with a mean age of 72.64 years and a mean follow-up of 80.5 weeks. Intraretinal fluid was observed …
Photoinduced mass transfer in amorphous As 2 S 3 films
2011
The surface relief grating formation in amorphous As2S3 films strongly depends on the polarization state of recording beams. The surface relief grating formation efficiency of s-s and p-p recording beam combination can be essentially enhanced by additional illumination with orthogonal polarization. It is shown that the direction of mass transport on the film surface is determined by the direction of light electric vector (© 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Study of the coordination of ortho-tyrosine and trans-4-hydroxyproline with aluminum(III) and iron(III)
2018
Abstract The coordination of amino acids ortho-tyrosine (o-Tyr, 1) and trans-4-hydroxyproline (HPro, 2) with the biologically important trivalent metal ions Al(III) and Fe(III) in aqueous solution was investigated by 1H and 13C high resolution NMR, Laser Desorption Mass Spectrometry (LD-MS), and MS/MS experiments. Potentiometric measurements were also carried out in 0.16 M NaCl, 37 °C, by varying the pH between 2.0 and 3.5. NMR spectra recorded on aqueous solutions of amino acids 1 or 2 in the presence of the appropriate trivalent metal chloride suggested that binding of Al(III) and Fe(III) involved the COOH and NH2 functional groups of ligands, while their phenolic and alcoholic groups whi…
Preliminary results on direct quantitative determination of cocaine in impregnated materials by infrared spectroscopy
2018
Abstract Partial least squares models were built for the direct determination of cocaine in seized impregnated smuggled materials. Measurements are based on the attenuated total reflectance middle infrared spectra (ATR-MIR) and diffuse reflectance spectra in the near range (DR-NIR) obtained directly from the surface of the impregnated materials. The aforementioned procedures offer fast, cheap and environmentally friendly green alternatives to the reference method based on the extraction of the drug and its quantification by gas chromatography. Additionally it has been verified that results found are statistically comparable with those obtained by the reference method with root mean square e…