Synthesis and structure of isocytosine ternary copper(II) complexes †

Interaction of the DNA bases and their mononucleotides with pyridine-2-carbaldehyde thiosemicarbazonecopper(II) complexes. Structure of the cytosine derivative

“…Following published studies [21,33,54], a tentative proposal for the selected bands has been carried out. Absorptions around 3430-2900 cm À1 are attributed to the m(NH 2 ), m(NH) and m(CH) vibrations of the thiosemicarbazone and cytosine ligands.…”

Tautomerism and the Protonation/Deprotonation of Isocytosine in Liquid‐ and Solid‐States Studied by NMR Spectroscopy and Theoretical Calculations

“…The complex formation of different isocytosine tautomers with metal ions has also been studied. [28][29][30][31][32] Previously, we reported the calculated free energies of all the possible tautomers/rotamers of isocytosine. [33] We have found four low-energy tautomers (1,2-I, 1,3-I, 2,3-I, and 2,4-I, with relative free energies of 3.7, 6.3, 0.0, and 4.3 kcal/mol, respectively); the other tautomers have relative free energies higher than 15.4 kcal/mol.…”

Synthesis and characterization of a dipeptide–copper(II)– 2-aminomethylbenzimidazole ternary complex

“…1. Selected bond distances and angles are given in Table III Usually the peptide is coordinated to a metal through a deprotonated amide nitrogen in ternary Cu(II) peptide complexes [11][12][13][14][15][16].…”

“…Some copper ternary complexes coordinated by chelating ligands containing imidazole groups have been described as model compounds for hemocyanin and other copper proteins [10]. An understanding of the stereochemical effect of bound ligands on ternary peptide complexes is of great importance and the study of model compounds has led to several structural studies in recent years [11][12][13][14][15][16]. However, to the best of our knowledge, only one X-ray crystallographic structure of a ternary complex peptide-Cu(II)-benzimidazole or benzimidazole derivative, [Cu(glygly)(benzimidazole)]Á3H 2 O, has been reported [12].…”