Environmental effects on the enhancement in natural and damaged DNA nucleobase acidity because of discrete hydrogen-bonding interactions

Journal of Physical Chemistry A

Volumn 111, Issue 10, 2007, Pages 1933-1942

  Hunter, Ken C ^a   Wetmore, Stacey D ^b  

^a MOUNT ALLISON UNIVERSITY   (Canada)

^b UNIVERSITY OF LETHBRIDGE   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ACIDITY; DENSITY FUNCTIONAL THEORY; ENVIRONMENTAL IMPACT; ENZYMES; HYDROGEN BONDS; MOLECULAR STRUCTURE;

BIOLOGICAL PROCESSES; NUCLEOBASE ACIDITY;

DNA;

EID: 84962383061     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp066641j     Document Type: Article

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173. Our calculated gas-phase acidities of the isolated nucleobases are in agreement with values previously published in the literature, and the details of these comparisons for all nucleobases have been discussed in our previous publications (see refs 7-9 and 11).
174. An additional cytosine complex was previously reported, where the small molecule coordinates to N4 (ref 9). This complex was omitted in this article since it is significantly higher in energy than other cytosine complexes.
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