Structure of 2,4-diaminopyrimidine-theobromine alternate base pairs.

نویسندگان

  • Zsolt Gengeliczki
  • Michael P Callahan
  • Martin Kabeláč
  • Anouk M Rijs
  • Mattanjah S de Vries
چکیده

We report the structure of clusters of 2,4-diaminopyrimidine with 3,7-dimethylxanthine (theobromine) in the gas phase determined by IR-UV double resonance spectroscopy in both the near-IR and mid-IR regions in combination with ab initio computations. These clusters represent potential alternate nucleobase pairs, geometrically equivalent to guanine-cytosine. We have found the four lowest energy structures, which include the Watson-Crick base pairing motif. This Watson-Crick structure has not been observed by resonant two-photon ionization (R2PI) in the gas phase for the canonical DNA base pairs.

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عنوان ژورنال:
  • The journal of physical chemistry. A

دوره 115 41  شماره 

صفحات  -

تاریخ انتشار 2011