Frequency Distribution of the Amide-I Vibration Sorted by Residues in Amyloid Fibrils Revealed by 2D-IR Measurements and Simulations

	Frequency Distribution of the Amide-I Vibration Sorted by Residues in Amyloid Fibrils Revealed by 2D-IR Measurements and Simulations
	Falvo, Cyril 1; Zhuang, Wei 2; Kim, Yung Sam 3,4; Axelsen, Paul H.5; Hochstrasser, Robin M.3; Mukamel, Shaul 6
刊名	journal of physical chemistry b
	2012-03-15
卷号	116 期号:10 页码:3322-3330
通讯作者	cyrilfalvo
产权排序	2,2
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.
学科主题	物理化学
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, physical
研究领域[WOS]	chemistry
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
收录类别	SCI
语种	英语
WOS记录号	WOS:000301509500029
公开日期	2013-10-11
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/117736]
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.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
推荐引用方式 GB/T 7714	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.
APA	Falvo, Cyril,Zhuang, Wei,Kim, Yung Sam,Axelsen, Paul H.,Hochstrasser, Robin M.,&Mukamel, Shaul.(2012).Frequency Distribution of the Amide-I Vibration Sorted by Residues in Amyloid Fibrils Revealed by 2D-IR Measurements and Simulations.journal of physical chemistry b,116(10),3322-3330.
MLA	Falvo, Cyril,et al."Frequency Distribution of the Amide-I Vibration Sorted by Residues in Amyloid Fibrils Revealed by 2D-IR Measurements and Simulations".journal of physical chemistry b 116.10(2012):3322-3330.