Mainz 2017 – scientific programme
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MO: Fachverband Molekülphysik
MO 12: Posters 2: Molecular Dynamics, Clusters, and High Resolution Spectroscopy
MO 12.19: Poster
Wednesday, March 8, 2017, 17:00–19:00, P OG1
Combined IR/UV investigations on isolated peptides: structural assignments for cyclic tetrapetides — Anke Stamm1, •Dominique Maué1, Kirsten Schwing1, Astrid Schaly2, Steffen Schlicher2, Julia Bartl2, Stefan Kubik2, and Markus Gerhards1 — 1TU Kaiserslautern, Dept. of Chemistry, Physical Chem. — 2TU Kaiserslautern, Dept. of Chemistry, Organic Chem., Erwin-Schrödinger-Str. 52/54, 67663 Kaiserslautern
Cyclopeptides are a widespread class of substances in nature with the antibiotic valinomycin being one of the most famous representatives. Their physiological effects are frequently based on the tendency to form bioactive conformations. Therefore the investigation of their structure is of great importance for understanding their functionalities. The mass- and isomer-selective combined IR/UV spectroscopy in mole- cular beam experiments represents a powerful tool for the structural investigation on isolated molecules in the gas phase. In combination with DFT calculations we are able to perform structural assignments for the electronic ground state. Here we present a structural determination for three different cyclic tetrapeptides, cyclo[l-Tyr(Me)-d-Pro-l-R-d-Pro] (R= Tyr(Me), Ala, Glu(Me)). A structural assignment with two intramolecular hydrogen bonds can be observed. Due to the asymmetric subunits there are different binding motifs within the cyclic tetrapeptide with R=Ala, Glu(Me) possible.