中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: Two-dimensional infrared spectroscopy of a model peptide homodimer
作者: Wang, Jian-ping
关键词: two-dimensional infrared spectroscopy ;  peptide homodimer ;  vibrational coupling ;  transition dipole coupling ;  exciton model
刊名: CHINESE JOURNAL OF CHEMICAL PHYSICS
发表日期: 2007-10-01
DOI: 10.1088/1674-0068/20/05/509-517
卷: 20, 期:5, 页:509-517
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
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.
关键词[WOS]: DENSITY-FUNCTIONAL THEORY ;  AMIDE-I BAND ;  MOLECULAR-DYNAMICS ;  LIQUID FORMAMIDE ;  VIBRATIONAL FREQUENCIES ;  2D IR ;  POLYPEPTIDES ;  ISOTOPOMERS ;  DIPEPTIDE ;  PROTEINS
语种: 英语
WOS记录号: WOS:000251344900001
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140505
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


作者单位: 1.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China

Recommended Citation:
Wang, Jian-ping. Two-dimensional infrared spectroscopy of a model peptide homodimer[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2007,20(5):509-517.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Wang, Jian-ping]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Wang, Jian-ping]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace