کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5417093 1506906 2010 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Perturbation theory analysis for electronic response of DNA base pairs
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Perturbation theory analysis for electronic response of DNA base pairs
چکیده انگلیسی
The electronic responses of duplex B-DNA sequences are investigated using perturbation theory analyses. The electronic polarizability and effective mass are computed for base pair doublets and triplets and the electronic structures are calculated according to density functional theory. High polarizability and a light effective mass are obtained in a sequence such as 5′-GGG-3′. The results indicate that the concentration of GC base pairs causes a high response of the electronic states, and molecular orbitals that are very responsive to the electric field tend to be reactive with other orbitals or conducting hole carriers. Furthermore, the interaction between the electronic states and a positively charged wavepacket is discussed, assuming hole injection in the DNA sequences. The sequence of 5′-GGG-3′ responds sensitively to the external hole approach, which is presumably injected to a guanine site.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 939, Issues 1–3, 15 January 2010, Pages 97-105
نویسندگان
, , ,