TY - JOUR
T1 - Structure of 2,4-diaminopyrimidine-theobromine alternate base pairs
AU - Gengeliczki, Zsolt
AU - Callahan, Michael P.
AU - Kabeláč, Martin
AU - Rijs, Anouk M.
AU - De Vries, Mattanjah S.
PY - 2011/10/20
Y1 - 2011/10/20
N2 - 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.
AB - 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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U2 - 10.1021/jp205831n
DO - 10.1021/jp205831n
M3 - Article
C2 - 21888324
AN - SCOPUS:80054689869
SN - 1089-5639
VL - 115
SP - 11423
EP - 11427
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
IS - 41
ER -