DICP OpenIR
Subject Area物理化学
Frequency Distribution of the Amide-I Vibration Sorted by Residues in Amyloid Fibrils Revealed by 2D-IR Measurements and Simulations
Falvo, Cyril1; Zhuang, Wei2; Kim, Yung Sam3,4; Axelsen, Paul H.5; Hochstrasser, Robin M.3; Mukamel, Shaul6; CyrilFalvo
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY B
2012-03-15
DOI10.1021/jp2096423
Volume116Issue:10Pages:3322-3330
Indexed BySCI
SubtypeArticle
Department11
Funding Project1107
Contribution Rank2,2
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical
WOS Research AreaChemistry
WOS Keyword2-DIMENSIONAL INFRARED-SPECTROSCOPY ; HYDROGEN-BOND DYNAMICS ; PARTICLE MESH EWALD ; 2D IR ; MOLECULAR-DYNAMICS ; EXPERIMENTAL CONSTRAINTS ; ALZHEIMERS-DISEASE ; PROVIDES EVIDENCE ; LINE-SHAPES ; PEPTIDE
AbstractThe 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.
Language英语
WOS IDWOS:000301509500029
Citation statistics
Cited Times:25[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/117736
Collection中国科学院大连化学物理研究所
Corresponding AuthorCyrilFalvo
Affiliation1.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
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..,...&CyrilFalvo.(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.
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