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Assessing the Utility of Infrared Spectroscopy as a Structural Diagnostic Tool for β-Sheets in Self-Assembling Aromatic Peptide Amphiphiles

Fleming, Scott, Frederix, Pim W. J. M., Ramos Sasselli, Iván, Hunt, Neil T., Ulijn, Rein V., Tuttle, Tell·2013·Langmuir

Abstract

β-Sheets are a commonly found structural motif in self-assembling aromatic peptide amphiphiles, and their characteristic "amide I" infrared (IR) absorption bands are routinely used to support the formation of supramolecular structure. In this paper, we assess the utility of IR spectroscopy as a structural diagnostic tool for this class of self-assembling systems. Using 9-fluorene-methyloxycarbonyl dialanine (Fmoc-AA) and the analogous 9-fluorene-methylcarbonyl dialanine (Fmc-AA) as examples, we show that the origin of the band around 1680-1695 cm(-1) in Fourier transform infrared (FTIR) spectra, which was previously assigned to an antiparallel β-sheet conformation, is in fact absorption of the stacked carbamate group in Fmoc-peptides. IR spectra from (13)C-labeled samples support our conclusions. In addition, DFT frequency calculations on small stacks of aromatic peptides help to rationalize these results in terms of the individual vibrational modes.

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Metadata

Authors
Fleming, S., Frederix, P. W. J. M., Ramos Sasselli, I., Hunt, N. T., Ulijn, R. V., & Tuttle, T.
Venue
Langmuir
Published
2013-07-16
Volume
29
Issue
30
Pages
9510-9515
ISSN
  • 0743-7463 (ISSN-L)
  • 1520-5827
OpenAlex
W1964866620
Cited by
160
References
0
FWCI
5.87
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Assessing the Utility of Infrared Spectroscopy as a Structural Diagnostic Tool for β-Sheets in Self-Assembling Aromatic Peptide Amphiphiles. https://app.cochat.ai/papers/10.1021/la400994v
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Fleming, S., Frederix, P. W. J. M., Ramos Sasselli, I., Hunt, N. T., Ulijn, R. V., & Tuttle, T. (2013). Assessing the Utility of Infrared Spectroscopy as a Structural Diagnostic Tool for β-Sheets in Self-Assembling Aromatic Peptide Amphiphiles. Langmuir. https://doi.org/10.1021/la400994v

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