Paper Info
Title
Structural And Electronic Property Responses To The Arsenic/Phosphorus Exchange In Gc-Related Dna Of The B-Form
Abstract
The suggestion that phosphorus/arsenic replacement in DNA can play a role in living things has generated great controversy (Wolfe-Simon et al., Science 2011, 332, 1163). Examined here theoretically are substitution effects on WatsonCrick base pairing and base stacking patterns in realistic DNA subunits. Using duplex DNA models deoxyguanylyl-3',5'-deoxycytidine ([dGpdC]2) and deoxycytidyly-3',5'-deoxyguanosine ([dCpdG)]2), this research reveals that the geometric variations caused by the As/P exchange are small and are limited to the phosphate/arsenate groups. As/P replacement leads to alterations of similar to 0.15 angstrom in P/As?O bond lengths and less than 1.5 degrees variations in O?P/As?O angles. The WatsonCrick base pairing and base stacking patterns are independent of the As/P replacement. The vertical electron detachment energies are also largely unaffected. However, the electron capture ability of the DNA units is improved by the As substitution. The arsenate is found to be the main electron acceptor in As-DNA. The results are relevant to the possible existence of viable As-DNAs, at least in the guanine and cytosine (GC)-related B-form DNA. (c) 2012 Wiley Periodicals, Inc. J Comput Chem, 2012
Year
DOI
Venue
2012
10.1002/jcc.22880
JOURNAL OF COMPUTATIONAL CHEMISTRY
Keywords
Field
DocType
DNA, As-substitution, DFT calculation, electron affinity
Arsenate,Electron acceptor,Guanine,Computational chemistry,Chemistry,Arsenic,DNA,Stereochemistry,Base pair,Cytosine,Stacking
Journal
Volume
Issue
ISSN
33
8
0192-8651
Citations 
PageRank 
References 
0
0.34
0
Authors
5
Name
Order
Citations
PageRank
Jiande Gu101.01
Jing Wang201.01
Yaoming Xie301.69
Jerzy Leszczynski43828.99
Henry F Schaefer5227.18