کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5417748 | 1506951 | 2008 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Complexes of a bio-molecule and a C60 cage
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
C60 is the most important fullerene cage and glycine is the simplest representative of a backbone unit of a protein. In this paper, the structures and the energies of glycine-C60 complexes were calculated at the B3LYP/6-31G(d) level DFT. It was found that the binding of glycine to C60 generated a slightly unstable complex via its amino nitrogen, a moderately unstable complex via its hydroxyl oxygen, and a very unstable complex via its carbonyl oxygen. This indicates that fullerene cages might be unable to form stable bindings to proteins via their amino nitrogen, hydroxyl oxygen and carbonyl oxygen active sites.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 850, Issues 1â3, 15 February 2008, Pages 67-71
Journal: Journal of Molecular Structure: THEOCHEM - Volume 850, Issues 1â3, 15 February 2008, Pages 67-71
نویسندگان
Yun Hang Hu, Eli Ruckenstein,