ArticleBiophysical journal2008
Two-dimensional infrared population transfer spectroscopy for enhancing structural markers of proteins.
Article in Biophysical journal, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- Temperature-Induced Collapse of Elastin-like Peptides Studied by 2DIR Spectroscopy.The journal of physical chemistry. B · 2018Article
- Observation of Ultrafast Vibrational Energy Transfer in Fibrinogen and Fibrin Fibers.The journal of physical chemistry. B · 2018Article
- Hydrophobic Collapse in N-Methylacetamide-Water Mixtures.The journal of physical chemistry. A · 2018Article
- A Free Energy Barrier Caused by the Refolding of an Oligomeric Intermediate Controls the Lag Time of Amyloid Formation by hIAPP.Journal of the American Chemical Society · 2017Article
- Interplay between Hydrogen Bonding and Vibrational Coupling in Liquid N-Methylacetamide.The journal of physical chemistry letters · 2017Article
- Development and validation of transferable amide I vibrational frequency maps for peptides.The journal of physical chemistry. B · 2011Article
- Sensitivity of 2D IR spectra to peptide helicity: a concerted experimental and simulation study of an octapeptide.The journal of physical chemistry. B · 2009Article
- Folding mechanism of β-hairpin trpzip2: heterogeneity, transition state and folding pathways.International journal of molecular sciences · 2009Review
- Coherent infrared multidimensional spectra of the OH stretching band in liquid water simulated by direct nonlinear exciton propagation.The Journal of chemical physics · 2009Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We propose the possibility of using vibrational population transfer to enhance the structural markers for protein motifs that occur in two-dimensional infrared spectroscopy. We demonstrate the potential of this method by calculating the spectrum of the trpzip2 beta-hairpin peptide, a system that is small enough to allow accurate simulation of its two-dimensional infrared spectra, including vibrational population transfer induced by a fluctuating solvent. The results show that under selected experimental conditions, in particular by using perpendicular polarization and finite waiting times, the cross peaks that constitute the well-known Z-shape marker for beta-sheet structure in two-dimensional spectra are strongly enhanced. This enhancement is shown to result from vibrational population transfer. It should be possible to use the same technique for enhancing cross peaks in other structures and generally improve structure determination by two-dimensional infrared spectroscopy. The simulated population transfer times are in good agreement with those observed in experiments on typical proteins.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.