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• W1979593896 abstract "To simulate the types of coordination and solution structures of the active site of haloperoxidases, the interaction systems between diperoxovanadate complexes [OV(O2)2L]n- (n = 1 or 3, L = oxalate or H2O) and a series of histidine-like ligands in solution have been studied by using 1D multinuclear (1H, 13C, and 51V) NMR, 2D diffusion ordered spectroscopy, and variable-temperature NMR in 0.15 mol/L NaCl ionic medium, representing the physiological conditions of human blood. Some direct NMR data are given for the first time. The reactivity among the histidine-like ligands is imidazole > 2-methylimidazole > carnosine ≈ 4-methylimidazole > histidine. Competitive coordination interactions result in a series of new peroxovanadate species [OV(O2)2L‘]- (L‘ = histidine-like ligands). When the ligands are 4-methylimidazole, histidine, and carnosine, a pair of isomers have been observed, which are attributed to different types of coordination between vanadium atom and ligands. The results of density functional theory calculations provided a reasonable explanation on the relative reactivity of the histidine-like ligands and the molar ratios of isomers. Theoretical results signify the importance of the solvation effect for the reactivity and stability of the interaction systems." @default.
• W1979593896 created "2016-06-24" @default.
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• W1979593896 date "2005-08-11" @default.
• W1979593896 modified "2023-10-17" @default.
• W1979593896 title "NMR and Theoretical Study on the Coordination and Solution Structures of the Interaction between Diperoxovanadate Complexes and Histidine-like Ligands" @default.
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• W1979593896 doi "https://doi.org/10.1021/ic050739f" @default.
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