Search results for " Magnetic resonance"
showing 10 items of 2317 documents
Preparation of 2,3-seco-5α-cholestane-2,3-diol and 4α-methyl-2,3-seco-5α-cholestane-2,3-diol and its reactions with o-nitrophenyl selenocyanate
1984
The reaction of 2,3-seco-5 alpha-cholestane-2,3-diol and 4 alpha-methyl-2,3-seco-5 alpha-cholestane-2,3-diol with o-nitrophenyl selenocyanate was studied. The diols were synthesized from cholesterol.
From Mono- to Poly-Substituted Frameworks: A Way of Tuning the Acidic Character of C-c-H in o-Carborane Derivatives
2009
[EN] The incorporation of iodine atoms onto the boron vertices of the o-carborane framework causes, according to spectroscopic data, a uniform increase in the acidic character of the C-c-H (C-c= cluster carbon) vertices, whereas the incorporation of methyl groups onto the boron vertices of the o-carborane framework reduces their acidity. Methyl groups when attached to boron are electron-withdrawing in boron clusters, whereas iodine atoms bonded to boron act as electron donors. This has been proven on B-methyl and B-iodinated o-carboranes with NMR spectroscopy measurements and DFT calculations of natural bond orbital (NBO) charges. which show a Cumulative buildup of positive cluster only tot…
<title>Micro-Raman scattering and infrared spectra of hemoglobin</title>
2008
Confocal micro-Raman and FT-IR spectroscopies have been used for detection of radiation influence of hemoglobin of patients examined by radio-isotopes diagnosis (Tc99m). After irradiation we observed some little changes of the Raman scattering bands which connected with out of plane porphyrine bending vibrations, also we observed additional band due to methemoglobin. Radiation of blood lead to the transition from hemoglobin (Fe2+) to methemoglobin (Fe3+) with a delocalization of iron from porphyrine plane. It was shown that FT-IR spectra indicate the radiation effects on hemoglobin.© (2008) COPYRIGHT SPIE--The International Society for Optical Engineering. Downloading of the abstract is per…
Nano-sized I12L6 Molecular Capsules Based on the [N⋅⋅⋅I+⋅⋅⋅N] Halogen Bond
2017
Summary Self-assembly of pre-organized subunits with a concave overall shape is an effective strategy for the synthesis of supramolecular capsules. We report the synthesis of a cavitand-based hexameric capsule held together solely by 12 robust [N⋅⋅⋅I + ⋅⋅⋅N] halogen bonds and its characterization in solution and in the gas phase via 1 H NMR spectroscopy, diffusion-ordered nuclear magnetic resonance spectroscopy (DOSY), and electrospray ionization mass spectrometry. The [N⋅⋅⋅I + ⋅⋅⋅N] halogen-bonded hexameric capsule was efficiently synthesized from the isolobal metallosupramolecular Ag + capsule by application of the [N⋅⋅⋅Ag + ⋅⋅⋅N] → [N⋅⋅⋅I + ⋅⋅⋅N] cation-exchange reaction.
A M�ssbauer and ESR study of LiNbO3-Fe2O3 for low Fe2O3 concentrations
1989
Samples of the system LiNbO3-Fe2O3 prepared by water quenching and by the double-roller quenching method in the range up to 24 mol% Fe2O3 were investigated by Mossbauer and ESR spectroscopy. In the water quenched samples up to 11 mol% Fe2O3 only the Fe3+ and the Fe2+ valence states could be detected. The Fe2+ concentration decreased with increasing Fe2O3 content. Above 11 mol% Fe2O3 magnetically split Mossbauer spectra indicated the presence of Fe2O3 clusters. The isomer shift values of Fe3+ as a function of Fe2O3 concentration showed jumps at 6 and 11 mol% Fe2O3, whereas no significant changes could be detected in the quadrupole splitting values. The ESR data already exhibited the existenc…
The effect of the cation p-surface area on the 3D organization and catalytic ability of imidazolium-based ionic liquids
2011
The dichotomic nature of ionic liquids (ILs, simple solvents or supramolecular fluids) induced us to carry out a structural investigation of some mono-and dicationic ionic liquids using 1D and 2D NMR, resonance light scattering, and UV/Vis spectroscopy. Ionic liquids with different cation π-surface areas were used, namely [bmim][NTf2], [Bzmim][NTf 2], [Bzbim][NTf2], [p-Xyl-(bim)2][NTf 2]2, and [m-Xyl-(bim)2][NTf2] 2 [bmim = 1-butyl-3-methylimidazolium, Bzmim = 1-benzyl-3- methylimidazolium, Bzbim = 1-benzyl-3-butylimidazolium, NTf2 = bis(trifluoromethansulfonyl)imide]. In order to verify to what extent the structural investigation, coupled with the determination of solvent parameters, could…
Ligand-Centred Fluorescence and Electronic Relaxation Cascade at Vibrational Time Scales in Transition-Metal Complexes
2015
Using femtosecond-resolved photoluminescence up-conversion, we report the observation of the fluorescence of the high-lying ligand-centered (LC) electronic state upon 266 nm excitation of an iridium complex, Ir(ppy)(3), with a lifetime of 70 +/- 10 fs. It is accompanied by a simultaneous emission of all lower-lying electronic states, except the lowest triplet metal-to-ligand charge-transfer ((MLCT)-M-3) state that shows a rise on the same time scale. Thus, we observe the departure, the intermediate steps, and the arrival of the relaxation cascade spanning similar to 1.6 eV from the (LC)-L-1 state to the lowest 3MLCT state, which then yields the long-lived luminescence of the molecule. This …
Local Structure Studies of Ti for SrTi16O3 and SrTi18O3 by Advanced X-ray Absorption Spectroscopy Data Analysis
2015
Strontium titanate is a model quantum paraelectric in which in the region of dominating quantum statistics the ferroelectric instability is inhibited due to nearly complete compensation of the harmonic contribution into ferroelectric soft mode frequency by the zero-point motion contribution. The enhancement of atomic masses by the substitution of 18O for 16O decreases the zero-point atomic motion and low-T ferroelectricity in SrTi18O3 is realized. In this study we report on the local structure of Ti in SrTi16O3 and SrTi18O3 by Ti K-edge extended x-ray absorption fine structure measurements in temperature range 6 – 300 K.
N-Cinnamoyltetraketide Derivatives from the Leaves of Toussaintia orientalis
2015
Seven N-cinnamoyltetraketides (1−7), including the new Ztoussaintine E (2), toussaintine F (6), and toussaintine G (7), were isolated from the methanol extract of the leaves of Toussaintia orientalis using column chromatography and HPLC. The configurations of E-toussaintine E (1) and toussaintines A (3) and D (5) are revised based on single-crystal X-ray diffraction data from racemic crystals. Both the crude methanol extract and the isolated constituents exhibit antimycobacterial activities (MIC 83.3−107.7 μM) against the H37Rv strain of Mycobacterium tuberculosis. Compounds 1, 3, 4, and 5 are cytotoxic (ED50 15.3−105.7 μM) against the MDA-MB-231 triple negative aggressive breast cancer cel…
Direct detection of 17O NMR in [Gd(DOTA)]- by NMR Spectroscopy
2015
The 17O NMR spectrum of the non-coordinated carboxyl oxygen in the GdIII-DOTA (DOTA = tetraazacyclododecanetetraacetic acid) complex has been observed experimentally. Its line width is essentially unaffected by paramagnetic relaxation due to gadolinium, and is only affected by the quadrupole pathway. The results are supported by the relevant parameters (hyperfine and quadrupole coupling constants) calculated by relativistic DFT methods. This finding opens up new avenues for investigating the structure and reactivity of paramagnetic GdIII complexes used as contrast agents in magnetic resonance imaging.