کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5416959 | 1506897 | 2010 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Delocalization and electron transfer in polypeptides with different secondary structures
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Delocalization and electron transfer in polypeptides with different secondary structures Delocalization and electron transfer in polypeptides with different secondary structures](/preview/png/5416959.png)
چکیده انگلیسی
The polypeptide-mediated electron transfers (ET) in opposite directions are studied by analyzing the electronic structures. The electron delocalizations in polypeptides are mainly occurring from carboxyl end to amino end (direction A). The lowest unoccupied molecular orbital (LUMO) energies of the peptide subgroups decrease obviously along this direction. Accordingly, the ET in direction A would occur by the superexchange mechanism. The formation of intramolecular hydrogen bond may provide new tunneling pathway with lower energy barrier, and promotes the ET in direction A markedly. As to the ET in opposite direction, the thermally activated hopping mechanism should be adopted.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 948, Issues 1â3, 30 May 2010, Pages 78-82
Journal: Journal of Molecular Structure: THEOCHEM - Volume 948, Issues 1â3, 30 May 2010, Pages 78-82
نویسندگان
Yefei Wang, Chengbu Liu,