Two-dimensional infrared spectroscopy of a model peptide homodimer
文献类型：期刊论文
| 作者 | Wang, Jian-ping |
| 刊名 | CHINESE JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2007-10-01 |
| 卷号 | 20期号:5页码:509-517 |
| 关键词 | Two-dimensional Infrared Spectroscopy Peptide Homodimer Vibrational Coupling Transition Dipole Coupling Exciton Model |
| ISSN号 | 1003-7713 |
| DOI | 10.1088/1674-0068/20/05/509-517 |
| 英文摘要 | A pair of peptide groups in space, as modeled by formamide dimer, was used to evaluate vibrational coupling between the amide-I modes and the spatial behavior of the coupling using ab initio quantum chemical calculations. It was found that the coupling between two C=O groups, which is electrostatic in nature, is still quite significant as the intermolecular distance reaches 10 angstrom. One- and two-dimensional infrared spectra of the dimer at several configurations were calculated using a vibrational exciton model that utilizes the ab initio computation-obtained parameters. The distance dependence of the coupling is dramatically shown in both the ID and 2D infrared spectral features. The results suggest that the C=O stretching modes in polypeptide can be coupled and their states can be delocalized over quite a long distance in space. |
| 语种 | 英语 |
| WOS记录号 | WOS:000251344900001 |
| 出版者 | SCIENCE CHINA PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/60995]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Wang, Jian-ping |
| 作者单位 | Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Jian-ping. Two-dimensional infrared spectroscopy of a model peptide homodimer[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2007,20(5):509-517. |
| APA | Wang, Jian-ping.(2007).Two-dimensional infrared spectroscopy of a model peptide homodimer.CHINESE JOURNAL OF CHEMICAL PHYSICS,20(5),509-517. |
| MLA | Wang, Jian-ping."Two-dimensional infrared spectroscopy of a model peptide homodimer".CHINESE JOURNAL OF CHEMICAL PHYSICS 20.5(2007):509-517. |
入库方式： OAI收割
来源：化学研究所
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