Investigating the Structural Origin of Trpzip2 Temperature Dependent Unfolding Fluorescence Line Shape Based on a Markov State Model Simulation
文献类型：期刊论文
| 作者 | Song, Jian1,2; Gao, Fang3; Cui, Raymond Z.4; Shuang, Feng3; Liang, Wanzhen5; Huang, Xuhui4; Zhuang, Wei1 |
| 刊名 | journal of physical chemistry b
 |
| 出版日期 | 2012-10-25 |
| 卷号 | 116期号:42页码:12669-12676 |
| 产权排序 | 1,1 |
| 通讯作者 | 庄巍 |
| 英文摘要 | vibrationally resolved fluorescence spectra of the beta-hairpin trpzip2 peptide at two temperatures as well as during a t-jump unfolding process are simulated on the basis of a combination of markov state models and quantum chemistry schemes. the broad asymmetric spectral line shape feature is reproduced by considering the exciton-phonon couplings. the temperature dependent red shift observed in the experiment has been attributed to the state population changes of specific chromophores. through further theoretical study, it is found that both the environment's electric field and the chromophores' geometry distortions are responsible for tryptophan fluorescence shift. |
| WOS标题词 | science & technology ; physical sciences |
| 学科主题 | 物理化学 |
| 类目[WOS] | chemistry, physical |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | helical supramolecular assemblies ; vibrationally resolved absorption ; circular-dichroism ; emission-spectra ; optical-spectra ; qm/mm methods ; dynamics ; proteins ; spectroscopy ; peptides |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000310120900004 |
| 公开日期 | 2013-10-11 |
| 源URL | [http://159.226.238.44/handle/321008/117782]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 2.Henan Normal Univ, Coll Phys & Informat Engn, Xinxiang 453007, Henan, Peoples R China 3.Chinese Acad Sci, Inst Intelligent Machines, Hefei 230031, Peoples R China 4.Hong Kong Univ Sci & Technol, Dept Chem, Div Biomed Engn, Kowloon, Hong Kong, Peoples R China 5.Xiamen Univ, Dept Chem, Xiamen 316005, Peoples R China |
| 推荐引用方式 GB/T 7714 | Song, Jian,Gao, Fang,Cui, Raymond Z.,et al. Investigating the Structural Origin of Trpzip2 Temperature Dependent Unfolding Fluorescence Line Shape Based on a Markov State Model Simulation[J]. journal of physical chemistry b,2012,116(42):12669-12676. |
| APA | Song, Jian.,Gao, Fang.,Cui, Raymond Z..,Shuang, Feng.,Liang, Wanzhen.,...&Zhuang, Wei.(2012).Investigating the Structural Origin of Trpzip2 Temperature Dependent Unfolding Fluorescence Line Shape Based on a Markov State Model Simulation.journal of physical chemistry b,116(42),12669-12676. |
| MLA | Song, Jian,et al."Investigating the Structural Origin of Trpzip2 Temperature Dependent Unfolding Fluorescence Line Shape Based on a Markov State Model Simulation".journal of physical chemistry b 116.42(2012):12669-12676. |
入库方式： OAI收割
来源：大连化学物理研究所
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