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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 tetrapetidesAnke Stamm1, •Dominique Maué1, Kirsten Schwing1, Astrid Schaly2, Steffen Schlicher2, Julia Bartl2, Stefan Kubik2, and Markus Gerhards11TU 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.

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