Structure of 2,4-Diaminopyrimidine鈥揟heobromine Alternate Base Pairs
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- 作者：Zsolt Gengeliczki ; Michael P. Callahan ; Martin Kabel谩膷 ; Anouk M. Rijs ; Mattanjah S. de Vries
- 刊名：Journal of Physical Chemistry A
- 出版年：2011
- 出版时间：October 20, 2011
- 年：2011
- 卷：115
- 期：41
- 页码：11423-11427
- 全文大小：801K
- 年卷期：v.115,no.41(October 20, 2011)
- ISSN：1520-5215
文摘
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鈥揷ytosine. We have found the four lowest energy structures, which include the Watson鈥揅rick base pairing motif. This Watson鈥揅rick structure has not been observed by resonant two-photon ionization (R2PI) in the gas phase for the canonical DNA base pairs.