Two-dimensional infrared spectroscopy of a model peptide homodimer

doi:10.1088/1674-0068/20/05/509-517

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	Two-dimensional infrared spectroscopy of a model peptide homodimer
	Wang, Jian-ping
刊名	CHINESE JOURNAL OF CHEMICAL PHYSICS
	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
出版者	SCIENCE CHINA PRESS
WOS记录号	WOS:000251344900001
内容类型	期刊论文
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.