Link to the University of Pittsburgh Homepage
Link to the University Library System Homepage Link to the Contact Us Form

Dependence of the AmII'p proline Raman band on peptide conformation

Ahmed, Z and Myshakina, NS and Asher, SA (2009) Dependence of the AmII'p proline Raman band on peptide conformation. Journal of Physical Chemistry B, 113 (32). 11252 - 11259. ISSN 1520-6106

[img] Plain Text (licence)
Available under License : See the attached license file.

Download (1kB)


We utilized UV resonance Raman (UVRR) measurements and density functional theory (DFT) calculations to relate the AmII'p frequency to the Ψ angle. The AmII'p frequency shifts by ∼ 25 cm-1 as the Ψ angle is varied over allowed angles of the Pro peptide bond. The AmII'p frequency does not show any significant dependence on the Ψ dihedral angle. The conformation sensitivity of the AmII'p frequency derives from conformation-induced changes in the planarity of the Pro peptide bond; Ψ angle changes push the amide nitrogen out of the peptide bond plane. We use this AmII'p frequency dependence on the Ψ angle to track temperature-induced conformation changes in a polyproline peptide. The temperature-induced 7 cm -1 downshift in the AmII'p frequency of the polyproline peptide results from an ∼45° rotation of the Ψ dihedral angle from Ψ = 145° (ideal PPII conformation) to Ψ = 100° (collapsed PPII conformation). © 2009 American Chemical Society.


Social Networking:
Share |


Item Type: Article
Status: Published
CreatorsEmailPitt UsernameORCID
Ahmed, Z
Myshakina, NS
Asher, SAasher@pitt.eduASHER
Date: 13 August 2009
Date Type: Publication
Journal or Publication Title: Journal of Physical Chemistry B
Volume: 113
Number: 32
Page Range: 11252 - 11259
DOI or Unique Handle: 10.1021/jp809857y
Schools and Programs: Dietrich School of Arts and Sciences > Chemistry
Refereed: Yes
ISSN: 1520-6106
MeSH Headings: Models, Molecular; Peptides--chemistry; Proline--chemistry; Protein Conformation; Spectrophotometry, Ultraviolet; Spectrum Analysis, Raman--methods
Other ID: NLM NIHMS134652, NLM PMC2742972
PubMed Central ID: PMC2742972
PubMed ID: 19627094
Date Deposited: 08 Feb 2013 21:04
Last Modified: 22 Jun 2021 13:55


Monthly Views for the past 3 years

Plum Analytics

Actions (login required)

View Item View Item