Isolated β-Turn Model Systems Investigated by Combined IR/UV Spectroscopy
| Autor: | Holger Fricke, Jolanta Polkowska, Thomas Schrader, Markus Gerhards, Kirsten Schwing, Kristina Bartl |
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| Rok vydání: | 2012 |
| Předmět: |
Models
Molecular Spectrophotometry Infrared Infrared Chemistry Chemie Infrared spectroscopy Tripeptide Chromophore medicine.disease_cause Protein Structure Secondary Atomic and Molecular Physics and Optics Ultraviolet visible spectroscopy Isomerism Computational chemistry medicine Quantum Theory Spectrophotometry Ultraviolet Physical and Theoretical Chemistry Spectroscopy Molecular beam Ultraviolet |
| Zdroj: | ChemPhysChem. 13:1576-1582 |
| ISSN: | 1439-4235 |
| DOI: | 10.1002/cphc.201100805 |
| Popis: | The functionality of bioactive molecules sensitively depends on their structure. For the investigation of intrinsic structural properties, molecular beam experiments combined with laser spectroscopy have proven to be a suitable tool. Herein we present an analysis of the two isolated tripeptide model systems Ac-Phe-Tyr(Me)-NHMe and Boc-Phe-Tyr(Me)-NHMe. For this purpose, mass-selective combined IR/UV spectroscopy is applied to both substances in a molecular beam experiment. The comparison of the experimental data with DFT calculations, including different functionals as well as dispersion corrections, allows an assignment of both tripeptide models to β-turns formed independently from the protection groups and supported by the interaction of the two aromatic chromophores. |
| Databáze: | OpenAIRE |
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