Theoretical EPR Study of 6-Mercaptopurine
Küçük Resim Yok
Tarih
2017
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Amer Inst Physics
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
6-Mercaptopurine is important antineoplastics agent and it is used for immuno suppressive and anti inflammatory. Experimental EPR parameters of 6-Mercaptopurine molecules powder were studied in the literature. The aim of this study EPR parameters of 6 Mercaptopurine molecules were calculated with theoretical calculations and define the possible radicals of 6 Mercaptopurine molecules. Firstly the X-ray structure of 6-Mercaptopurine molecules were found in the literature (1). EPR parameters and possible radicals of 6 Mercaptopurine molecules were calculated from this X-ray structure. Possible radicals of gamma-irradiated 6-Mercaptopurine molecules were constituted. EPR parameters of possible radicals were calculated with 1331XP/6-31.1++ G (d,p) basis set in MT methods for 6 Mercaptopurine molecules.
Açıklama
32nd International Physics Congress of Turkish-Physical-Society (TPS) -- SEP 06-09, 2016 -- Bodrum, TURKEY
Anahtar Kelimeler
[Keyword Not Available]
Kaynak
Proceedings Of The Turkish Physical Society 32nd International Physics Congress (Tps32)
WoS Q Değeri
Scopus Q Değeri
Cilt
1815
