Journal article
Simulation of amide I′ band profiles of trans polyproline based on an excitonic coupling model
Chemical physics letters, v 408(1), pp 123-127
2005
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
We measured the amide I′ band profile of the IR, isotropic Raman, anisotropic Raman, and Vibrational Circular Dichroism spectrum of poly-
l-proline in D
2O. The band shapes were modeled by using an algorithm that exploits the delocalized character of the excited vibrational states [R. Schweitzer-Stenner, J. Phys. Chem. B. 108 (2004) 16965]. The band shapes could be quantitatively reproduced by invoking the polyproline II or 3
1-helix conformation for all peptide residues. This corroborates the notion that the combined use of the above spectroscopies is an ideal tool to discriminate different conformations associated with the so-called random coil state of peptides.
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Details
- Title
- Simulation of amide I′ band profiles of trans polyproline based on an excitonic coupling model
- Creators
- Thomas Measey - Drexel UniversityReinhard Schweitzer-Stenner - Drexel University
- Publication Details
- Chemical physics letters, v 408(1), pp 123-127
- Publisher
- Elsevier
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- [Retired Faculty]
- Web of Science ID
- WOS:000229655200023
- Scopus ID
- 2-s2.0-18844367782
- Other Identifier
- 991019167799704721
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- Web of Science research areas
- Chemistry, Physical
- Physics, Atomic, Molecular & Chemical