Quantum chemical studies on tautomerization of uric acid
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.684, ss.149-157, 2004 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 684
- Basım Tarihi: 2004
- Doi Numarası: 10.1016/j.theochem.2004.04.061
- Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.149-157
- Eskişehir Osmangazi Üniversitesi Adresli: Evet
Özet
The preferred tautomeric form of biologically active uric acid molecule was predicted using the gas phase semi-empirically calculated relative stabilities, aqueous phase calculated acidity constants and the other molecular properties. The obtained results had indicated that the trioxo, dioxo or monooxo forms are favored over the dihydroxy, monohydroxy or trihydroxy forms tautomerically, successively for ring-chain tautomerizm. The same trend, however, was not observed for annular the tautomerizm. (C) 2004 Elsevier B.V. All rights reserved.