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Structure of 2,4-Diaminopyrimidine-Theobromine Alternate Base Pairs
- 1.0370077 - ÚOCHB 2012 RIV US eng J - Journal Article
Gengeliczki, Z. - Callahan, M. P. - Kabeláč, Martin - Rijs, A. M. - de Vries, M. S.
Structure of 2,4-Diaminopyrimidine-Theobromine Alternate Base Pairs.
Journal of Physical Chemistry A. Roč. 115, č. 41 (2011), s. 11423-11427. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512; GA AV ČR IAA400550808
Institutional research plan: CEZ:AV0Z40550506
Keywords : ab-initio calculations * double resonance spectroscopy * basis-set * guanine * cytosine
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011
We report the structure of dusters 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.
Permanent Link: http://hdl.handle.net/11104/0006768
Number of the records: 1