Quantitative Determination of Mononucleotide Conformations in Solution using Lanthanide Ion Shift and Broadening NMR Probes

DFT and1H NMR molecular spectroscopic studies on biologically anti-oxidant active paramagnetic lanthanide(III)-chrysin complexes

“…This increases with an increase in unpaired electrons in the 4f-orbitals. The large broadening in the case of Nd is, of course, due to the long electron relaxation time of Nd (figure 7) compared with praseodymium [33] (figure 6). The differences in the relative line broadening reflect different metal-proton distances, the broader peaks being associated with the proton nuclei of ligand closer to the lanthanide ions and these broad resonances supports the predicted octahedral geometry of the complexes.…”

Use of Paramagnetic NMR Probes for Structural Analysis in Cytochrome c3 from Desulfovibrio Vulgaris

“…These shifts may be scalar (Fermi contact shift) or dipolar (pseudocontact shift) in origin. The first type is restricted to the haem moieties and their ligands and contains information about the distribution of the unpaired electron and thus about the haem electronic structure (Shulman et al, 1971;Keller et al, 1976;Turner, 1995), whereas the second type depends on precise geometrical functions, thus providing important structural information (Barry et al, 1971 ;Xavier et al, 1993).…”

Proton Exchange of the Pro‐S Hydrogen at C‐1 in Dihydroxyacetone Phosphate D‐Fructose 1, 6‐Bisphosphate and d‐Fructosehate, d‐Fructose 1,6‐Bisphosphate and Catalysed by Rabbit‐Muscle Aldolase

“…This became clearer when the solution was acidified and 1-2 equivalents of Eu(N03)3 were added ( Fig. 2D) owing to differential shifts induced by Eu3+ binding to the phosphate groups [9,10]. Thus mono-deuteration of both the C-1 and C-6 positions of fructose 1,6-bisphosphate had occurred.…”