Prototropic molecular-zwitterion tautomerism of purine
نویسندگان
چکیده
منابع مشابه
Experimental and theoretical study of enol-keto prototropic tautomerism and photophysics of azomethine-BODIPY dyads.
In this study we report about two novel azomethine–BODIPY dyads 1 and 2. The two dyads have been, respectively, synthesized by covalent tethering of tautomeric ortho-hydroxy aromatic azomethine moieties including N-salicylideneaniline (SA) and N-naphthlideneaniline (NA) to a BODIPY fluorophore. Both of the two dyads 1 and 2 show enol-imine (OH) structures dominating in the crystalline state. Dy...
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NMR methods have been applied to evaluation of prototropic tautomerism, N (1)H ^ N (3) H. in several selected pyrimidines, viz. the neutral forms of isocytosine and 2-alkylthiopyrimidone-4, and the monoanionic forms of uracil, 5-fluorouracil and 4-thiouracil. The predominant tautomeric species of the neutral forms could be estimated only qualitatively from chemical shifts. For the monoanionic f...
متن کاملUsing Implicit/Explicit Salvation Models to Theoretical Study Tautomerism in 7H-purine-2, 6-diamine
A theoretical study at the B3LYP/6-31++G(d,p) level was performed on the tatumerization of 7H-purine-2, 6-diamine into 9H-purine-2, 6-diamine. Such a tautomerism can take place via three different pathways namely A, B, and C. The energetic results associated with the gas phase reveal that pathways A, B, and C display a very high activation Gibbs free energy of 45.1, 68.6 and 48.9 kcal/mol, resp...
متن کاملAb Initio Study of the Prototropic Tautomerism of Cytosine and Guanine and Their Contribution to Spontaneous Point Mutations
High-level quantum-chemical and quantum-dynamics calculations are reported on the tautomerization equilibria and rate constants of isolated and monohydrated cytosine and guanine molecules. The results are used to estimate the fraction of the bases present in the cell during DNA synthesis as the unwanted tautomers that forms irregular base pairs, thus giving rise to a spontaneous GC→AT point mut...
متن کاملControlling molecular tautomerism through supramolecular selectivity.
We have isolated the stable as well as the metastable tautomers of 1-deazapurine in the solid state by exploiting principles of supramolecular selectivity in the context of cocrystal design.
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ژورنال
عنوان ژورنال: Biopolymers and Cell
سال: 1995
ISSN: 0233-7657,1993-6842
DOI: 10.7124/bc.000402