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

Zsolt Gengeliczki; Michael P. Callahan; Martin Kabeláč; Anouk M. Rijs; Mattanjah S. De Vries

doi:10.1021/jp205831n

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

Zsolt Gengeliczki
, Michael P. Callahan
, Martin Kabeláč
, Anouk M. Rijs
, Mattanjah S. De Vries

Chemistry Department

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	11423-11427
Number of pages	5
Journal	Journal of Physical Chemistry A
Volume	115
Issue number	41
DOIs	https://doi.org/10.1021/jp205831n
State	Published - 20 Oct 2011

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title = "Structure of 2,4-diaminopyrimidine-theobromine alternate base pairs",

abstract = "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.",

author = "Zsolt Gengeliczki and Callahan, \{Michael P.\} and Martin Kabel{\'a}{\v c} and Rijs, \{Anouk M.\} and \{De Vries\}, \{Mattanjah S.\}",

year = "2011",

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doi = "10.1021/jp205831n",

language = "English",

volume = "115",

pages = "11423--11427",

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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.

UR - https://www.scopus.com/pages/publications/80054689869

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 -

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

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