Počet záznamů: 1

Structure of 2,4-Diaminopyrimidine-Theobromine Alternate Base Pairs

  1. 1.
    0370077 - UOCHB-X 2012 RIV US eng J - Článek v odborném periodiku
    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
    Grant CEP: GA MŠk LC512; GA AV ČR IAA400550808
    Výzkumný záměr: CEZ:AV0Z40550506
    Klíčová slova: ab-initio calculations * double resonance spectroscopy * basis-set * guanine * cytosine
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 2.946, rok: 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.
    Trvalý link: http://hdl.handle.net/11104/0006768