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Combined (13)C NMR and DFT/GIAO studies of the polyketides Aurasperone A and Fonsecinone A
(Wiley-Blackwell, 2008-11-05)
Structural characterization by NMR spectroscopy and DFT calculations was performed for two dimeric naptho-gamma-pyrones, the polyketides Aurasperone A and Fonsecinone A. Experimental data ((13)C NMR chemical shifts and ...
NMR assignments of oxidised thioredoxin from Plasmodium falciparum
(Springer NetherlandsDordrecht, 2009-12)
During its life cycle, the malaria parasite Plasmodium falciparum is found intracellular to human erythrocytes, where its survival and ability to multiply critically depends on the control of the environment redox state. ...
A theoretical and experimental study to unequivocal structural assignment of tetrahydroquinoline derivatives
(2013-06-24)
The tetrahydroquinoline derivatives can be easily synthesized through Povarov reaction and have several important biological activities. This work describes a comparative study for the unequivocal assignment of molecular ...
Synthesis and luminescent properties of new naphthoquinoline lactone derivatives
(2020-11-01)
The multicomponent reaction between tetronic acid (1), 2-aminoanthracene (2) and aromatic aldehydes (3) and the subsequent addition of DDQ produced a series of naphtho [2,3-f]quinoline lactone derivatives (5) in good yield. ...
Substituent effects in the C-13 NMR chemical shifts of alpha-mono-substituted acetonitriles
(Pergamon-elsevier Science LtdOxfordInglaterra, 2007)
H-1 NMR chemical shifts and coupling constants of some 3-monosubstituted 2-methylpropenes
(John Wiley & Sons LtdW SussexInglaterra, 1997)
Drug delivery via α-Cyclodextrin: A Statistical-Nucleus Independent Chemical Shifts (S-NICS) study
(Universidad del Zulia, 2020)
Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: A comparison of three relativistic computational methods
(American Institute of Physics, 2011-07)
We investigate the importance of relativistic effects on NMR shielding constants and chemical shifts of linear HgL2 (L = Cl, Br, I, CH 3) compounds using three different relativistic methods: the fully relativistic ...
Use of 13Ca chemical-shifts in protein structure determination
(American Chemical Society, 2007-05)
A physics-based method aimed at determining protein structures by using NOE-derived distances together with observed and computed 13C chemical shifts is proposed. The approach makes use of 13Cα chemical shifts, computed ...
Chemical effects correlated to nitrogen content of iron nitride films observed in the Fe L-shell X-rays induced by 5-keV electrons
(Elsevier Science, 2014-01)
Iron nitride thin films, produced by reactive magnetron sputtering, were characterized with grazing incidence X-ray diffraction, X-ray reflectometry, Rutherford backscattering spectrometry (RBS) and conversion electron ...