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学科主题: 物理化学
题名: Frequency Distribution of the Amide-I Vibration Sorted by Residues in Amyloid Fibrils Revealed by 2D-IR Measurements and Simulations
作者: Falvo, Cyril1;  Zhuang, Wei2;  Kim, Yung Sam3, 4;  Axelsen, Paul H.5;  Hochstrasser, Robin M.3;  Mukamel, Shaul6
通讯作者: CyrilFalvo
刊名: JOURNAL OF PHYSICAL CHEMISTRY B
发表日期: 2012-03-15
DOI: 10.1021/jp2096423
卷: 116, 期:10, 页:3322-3330
收录类别: SCI
文章类型: Article
部门归属: 11
项目归属: 1107
产权排名: 2,2
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical
研究领域[WOS]: Chemistry
英文摘要: The infrared optical response of amyloid fibrils A beta(1-40) is investigated. Simulations of two models corresponding to different protonation states are compared with experiment. The simulations reveal that vibrational frequency distributions inside the fibrils are dominated by side chain fluctuations. We further confirm earlier suggestions based on 2D-IR measurements that water molecules can be trapped inside the fibrils.
关键词[WOS]: 2-DIMENSIONAL INFRARED-SPECTROSCOPY ;  HYDROGEN-BOND DYNAMICS ;  PARTICLE MESH EWALD ;  2D IR ;  MOLECULAR-DYNAMICS ;  EXPERIMENTAL CONSTRAINTS ;  ALZHEIMERS-DISEASE ;  PROVIDES EVIDENCE ;  LINE-SHAPES ;  PEPTIDE
语种: 英语
WOS记录号: WOS:000301509500029
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/117736
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Univ Paris 11, Inst Sci Mol Orsay, CNRS, UMR 8214, F-91405 Orsay, France
2.Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, LiaoNing, Peoples R China
3.Univ Penn, Dept Chem, Philadelphia, PA 19104 USA
4.Ulsan Natl Inst Sci & Technol, Sch Nanobiosci & Chem Engn, Seoul, South Korea
5.Univ Penn, Sch Med, Dept Pharmacol Biochem & Biophys, Philadelphia, PA 19104 USA
6.Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA

Recommended Citation:
Falvo, Cyril,Zhuang, Wei,Kim, Yung Sam,et al. Frequency Distribution of the Amide-I Vibration Sorted by Residues in Amyloid Fibrils Revealed by 2D-IR Measurements and Simulations[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2012,116(10):3322-3330.
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