ArticleJournal of molecular liquids2008
Two-Dimensional Vibrational Lineshapes of Amide III, II, I and A Bands in a Helical Peptide.
Article in Journal of molecular liquids, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed.
- Multidimensional Infrared Spectroscopy as a Bioanalytical Technique.Chemical reviews · 2026Review
- Surface complexation and multilayer formation in the adsorption of NADA and phosphate on magnetic iron oxide nanoparticles: implications for bioseparation.Nanoscale advances · 2026Article
- Collagen from Salted Jellyfish (Gels (Basel, Switzerland) · 2026Article
- Insights into the colloidal and structural stability of Atezolizumab with nonpolar amino acid-based ionic liquids under multiple stresses: phase two.RSC advances · 2026Article
- Unveiling Vibrational Couplings in Model Peptides in Solution by a Theoretical Approach.Molecules (Basel, Switzerland) · 2025Article
- Rapid and Label-Free Histopathology of Oral Lesions Using Deep Learning Applied to Optical and Infrared Spectroscopic Imaging Data.Journal of personalized medicine · 2024Article
- Manufacturing and characterization of whey and stevia-based popsicles enriched with concentrated beetroot juice.Journal of food science and technology · 2022Article
- Attenuated total reflection-Fourier transform infrared spectroscopy: a tool to characterize antimicrobial cyclic peptide-membrane interactions.European biophysics journal : EBJ · 2021Article
- Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction.Chemical reviews · 2020Review
- Simple Quantum Dynamics with Thermalization.The journal of physical chemistry. A · 2018Article
- Watching Proteins Wiggle: Mapping Structures with Two-Dimensional Infrared Spectroscopy.Chemical reviews · 2017Review
- A strongly absorbing class of non-natural labels for probing protein electrostatics and solvation with FTIR and 2D IR spectroscopies.The journal of physical chemistry. B · 2013Article
- Parallel β-sheet vibrational couplings revealed by 2D IR spectroscopy of an isotopically labeled macrocycle: quantitative benchmark for the interpretation of amyloid and protein infrared spectra.Journal of the American Chemical Society · 2012Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
An effective exciton Hamiltonian for all amide bands is used to calculate the linear absorption and photon echo spectra of a 17 residue helical peptide (YKKKH17). The cross peak bandshapes are sensitive to the inter-band couplings. Fluctuations of the local amide frequencies of the all amide fundamental and their overtone and combination states are calculated using the multipole electric field induced by environment employing the electrostatic DFT map of N-methyl acetamide. Couplings between neighboring peptide units are obtained using the anharmonic vibrational Hamiltonian of glycine dipeptide (GLDP) at the BPW91/6-31G(d,p) level. Electrostatic couplings between non-neighboring units are calculated by the fourth rank transition multipole coupling (TMC) expansion including 1/R(3) (dipole-dipole), 1/R(4) (quadrupole-dipole), and 1/R(5) (quadrupole-quadrupole and octapole-dipole) interactions.
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Registered trials
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