کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5410906 1506561 2015 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Solvent effects on binding energy, stability order and hydrogen bonding of guanine-cytosine base pair
ترجمه فارسی عنوان
اثرات حلال بر روی انرژی اتصال، نظم پایداری و پیوند هیدروژنی جفت پایه گوانین-سیوتسین
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
چکیده انگلیسی
In this study, the effect of various solvents on the stability order, binding energy and hydrogen bond (HB) strength of cytosine-guanine (C-G) complex are investigated by using the density functional theory. The results show that the stability of cytosine-guanine complex in polar solvent is higher than non-polar solutions while it is lower than solution in vacuum. The binding energy of cytosine-guanine complex in polar solvent is lower than non-polar solutions. Its HB strength in polar solvent with respect to water as natural solvent is close to each other. The natural bond orbital and frontier molecular orbital analysis have been carried out from the optimized structure. The Quantum Theory of “Atoms in Molecules” (QTAIM) of Bader is also applied here to get more details about the nature of intermolecular interactions. Finally, the chemical properties have been presented to investigate the chemical stability of cytosine-guanine complex.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 209, September 2015, Pages 526-530
نویسندگان
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