Conformers of the peptides glycine-tryptophan, tryptophan-glycine and tryptophan-glycine-glycine as revealed by double resonance laser spectroscopy

Literature Information

Publication Date 2004-02-27
DOI 10.1039/B316295H
Impact Factor 3.676
Authors

I. Hünig, K. Kleinermanns


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Abstract

The peptides Trp-Gly, Gly-Trp and Trp-Gly-Gly were investigated by UV–UV and IR–UV hole burning spectroscopy. Solid samples of the three peptides were vaporised into an argon jet by laser desorption. The IR–UV spectra of different conformers of the peptides were assigned by comparison with the IR–UV spectra of tryptophan [Snoek et al., Phys. Chem. Chem. Phys., 2001, 3, 1819], the free peptide bond in N-acetyl tryptophan methyl amide [Dian et al., J. Chem. Phys., 2002, 117, 10 688] and ab initio calculations performed at the DFT B3LYP 6-31G(d,p) level. Apart from an NH⋯NH2 interaction, the peptide backbone of one conformer of each dipeptide is unfolded. The second conformer of Gly-Trp shows a COOH⋯OC hydrogen bond and the second conformer of Trp-Gly-Gly a hydrogen bond between the peptide backbone and the NH group of the indole ring.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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