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Author

Kim, Yung Sam
Ultrafast 2D IR Spectroscopy Lab
Research Interests
  • 2D IR, chemical exchange of H-bond, fast reaction dynamics, protein dynamics

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

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Title
Frequency Distribution of the Amide-I Vibration Sorted by Residues in Amyloid Fibrils Revealed by 2D-IR Measurements and Simulations
Author
Falvo, CyrilZhuang, WeiKim, Yung SamAxelsen, Paul H.Hochstrasser, Robin M.Mukamel, Shaul
Keywords
Amyloid fibril; Frequency distributions; IR measurements; Optical response; Protonation state; Side-chains; Water molecule
Issue Date
201203
Publisher
AMER CHEMICAL SOC
Citation
JOURNAL OF PHYSICAL CHEMISTRY B, v.116, no.10, pp.3322 - 3330
Abstract
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.
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DOI
http://dx.doi.org/10.1021/jp2096423
ISSN
1520-6106
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