A theoretical study on coenzyme Q(10) and its reduced form. AM1 treatment

Turker L.

ACH-MODELS IN CHEMISTRY, cilt.137, ss.701-710, 2000 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 137
  • Basım Tarihi: 2000
  • Dergi Adı: ACH-MODELS IN CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED)
  • Sayfa Sayıları: ss.701-710
  • Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

Coenzyme Q(10) (CoQ(10)) and its reduced form, ubiquinol (CoQ(10)H(2)) were subjected to semiempirical quantum chemical treatment at the level of AM1-RHF type calculations. Both of the structures are stable having negative total and binding energies and exothermic heats of formation. The frontier molecular orbital characteristics, electrostatic contour diagrams and charge distributions of these structures were presented.