Stuttgart 2012 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 11: Biomolecules
MO 11.2: Vortrag
Dienstag, 13. März 2012, 14:15–14:30, V38.02
Monitoring Potential Molecular Interaction Pathways between Adenine and Amino Acids (Gly, Lys, Arg) Using Raman Spectroscopy and DFT Modeling — •Patrice Donfack1, Shweta Singh1,2,4, Sunil K. Srivastava1,3,4, Sebastian Schlücker4, Phool C. Mishra2, Birendra P. Asthana2, and Arnulf Materny1 — 1Research Center for Functional Materials and Nanomolecular Science, Jacobs University, Campus Ring 1, D-28759 Bremen, Germany — 2Department of Physics, Banaras Hindu University, Varanasi 221005, India — 3Department of Pure and Applied Physics, Guru Ghasidas Vishwavidyalaya, Main Campus, Koni, Bilaspur-495009, India — 4Fachbereich Physik, Universität Osnabrück, Barbarastraße 7, D-49076 Osnabrück, Germany
In this contribution, we report on Raman spectroscopy and DFT calculations on binary mixtures of adenine with the amino acids Gly, Lys, and Arg at varying molar ratios. We have observed specific changes in the Raman bands of adenine due to the presence of the amino acids. While this is less apparent in the adenine/Gly system, in for Lys or Arg consistent changes are observed in the adenine bands that involve the amino (-NH2) moiety and the ring N-7 and N-9. Conclusions can be drawn on the interactions between adenine and Lys or Arg proving to be sensitive to both protonation and hydrogen bonding properties. A clear indication is provided that whether the adenine interacts with an amino acid strongly depends on the chemical structure of the latter. DFT calculations have been carried out to further elucidate realistic interaction schemes of adenine with the amino acids.