ArticleThe journal of physical chemistry. B2006
Local structure of beta-hairpin isotopomers by FTIR, 2D IR, and ab initio theory.
Article in The journal of physical chemistry. B, 2006. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed.
- Multidimensional Infrared Spectroscopy as a Bioanalytical Technique.Chemical reviews · 2026Review
- Nanostructure, Self-Assembly, Mechanical Properties, and Antioxidant Activity of a Lupin-Derived Peptide Hydrogel.Biomedicines · 2021Article
- Bottom-Up Approach to Assess the Molecular Structure of Aqueous Poly(The journal of physical chemistry. B · 2020Article
- Unveiling the membrane-binding properties of N-terminal and C-terminal regions of G protein-coupled receptor kinase 5 by combined optical spectroscopies.Langmuir : the ACS journal of surfaces and colloids · 2014Article
- Two-dimensional stimulated resonance Raman spectroscopy study of the Trp-cage peptide folding.Physical chemistry chemical physics : PCCP · 2013Article
- Two-Dimensional Infrared (2DIR) Spectroscopy of the Peptide Beta3s Folding.The journal of physical chemistry letters · 2013Article
- Using thioamides to site-specifically interrogate the dynamics of hydrogen bond formation in β-sheet folding.Journal of the American Chemical Society · 2012Article
- Frequency distribution of the amide-I vibration sorted by residues in amyloid fibrils revealed by 2D-IR measurements and simulations.The journal of physical chemistry. B · 2012Article
- Utilizing Lifetimes to Suppress Random Coil Features in 2D IR Spectra of Peptides.The journal of physical chemistry letters · 2011Article
- Development and validation of transferable amide I vibrational frequency maps for peptides.The journal of physical chemistry. B · 2011Article
- Normal modes for large molecules with arbitrary link constraints in the mobile block Hessian approach.The Journal of chemical physics · 2009Article
- Coherent multidimensional vibrational spectroscopy of biomolecules: concepts, simulations, and challenges.Angewandte Chemie (International ed. in English) · 2009Review
- Native and unfolded cytochrome c--comparison of dynamics using 2D-IR vibrational echo spectroscopy.The journal of physical chemistry. B · 2008Article
- Two-dimensional infrared spectroscopy as a probe of the solvent electrostatic field for a twelve residue peptide.The journal of physical chemistry. B · 2008Article
- Two-dimensional infrared population transfer spectroscopy for enhancing structural markers of proteins.Biophysical journal · 2008Article
- Simulation of two-dimensional infrared spectroscopy of amyloid fibrils.Proceedings of the National Academy of Sciences of the United States of America · 2007Article
- Substrate binding and protein conformational dynamics measured by 2D-IR vibrational echo spectroscopy.Proceedings of the National Academy of Sciences of the United States of America · 2007Article
- Amide vibrations are delocalized across the hydrophobic interface of a transmembrane helix dimer.Proceedings of the National Academy of Sciences of the United States of America · 2006Article
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3 authors.
Funding
Abstract
The 12-residue tryptophan zipper beta-hairpin (SWTWENGKWTWK) and two (13)C-isotopomers were examined in the amide-I region using FTIR and femtosecond two-dimensional infrared (2D IR) spectroscopies. Spectroscopic features of the labeled transitions with (13)C-substituted amide unit present in the terminal or turn region of the hairpin, including their frequency shifts and distributions, line broadenings, orientations, and anharmonicities of diagonal peaks, allow the peptide local structure and local environment to be examined. The results suggest a larger structure fluctuation in the terminal region than in the turn region as a result of the side chain effect and solvent-peptide interaction. The results also suggest that the uncoupled amide-I modes are not degenerate and that this is likely to be a common situation for solvated polypeptides. In addition, the amide-I states in the terminal and turn regions were found to be delocalized over several neighboring amide units. Cross-peaks between the various labeled and unlabeled structural regions were clearly observed in the 2D IR correlation spectra, allowing them to be characterized for monitoring structural changes. These results illustrate the sensitivity of 2D IR to the local environment of solvated peptides. The simulated 1D and 2D IR spectra of the hairpin, obtained by using the vibrational exciton model incorporating coupling constants from quantum chemical computations and semiempirical calculations, were found to reproduce the essential features of the experimental results.
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