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MİRİSETİN VE KUERSETİN BİLEŞİKLERİNİN ANTİOKSİDAN ETKİNLİKLERİNİN DFT YÖNTEMİYLE İNCELENMESİ

THE INVESTIGATION OF ANTIOXIDANT ACTIVITIES OF MYRICETIN AND QUERCETIN WITH DFT METHODS

Journal Name:

  • Cumhuriyet Üniversitesi Fen Fakültesi Fen Bilimleri Dergisi

Publication Year:

  • 2007

Key Words:

Keywords (Original Language):

Author NameUniversity of AuthorFaculty of Author
Abstract (2. Language): 
In this study, some flavonoid derivatives (myricetin, quercetin), showing antioxidant activity and having experimentally determined TEAC (Torolox Equivalent Antioxidant Capacity) values, have been investigated and their antioxidant activities have been compared. Calculations performed by using DFT (Density Functional Theory ) method at the RB3LYP/6-31G (d,p) level of theory in the gas phase, for radicals, UB3LYP/ 6-31G (d,p) basis set has been used
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Abstract (Original Language): 
Bu çalışmada, antioksidan özellik gösteren ve deneysel olarak belirlenmiş TEAC [1-2] (Toroloksa Eşdeğer Antioksidan Kapasitesi) değerleri bilinen bazı flavonollerin (Mirisetin, Kuersetin) DFT (Yoğunluk Fonksiyonel Teorisi) yöntemiyle antioksidan etkinliklerinin karşılaştırılması yapılmıştır. Hesaplamalar, gaz fazında DFT yöntemiyle RB3LYP/ 6-31G (d,p), radikaller için UB3LYP/ 6-31G (d,p) temel setleri kullanılarak yapılmıştır.
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  • 2
53-65
  • Turkish

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