An analysis of the different behavior of DNA and RNA through the study of the mutual relationship between stacking and hydrogen bonding

Adrià Gil; Vicenç Branchadell; Joan Bertran; Antoni Oliva

doi:10.1021/jp809737c

An analysis of the different behavior of DNA and RNA through the study of the mutual relationship between stacking and hydrogen bonding

Adrià Gil, Vicenç Branchadell, Joan Bertran, Antoni Oliva

Department of Chemistry

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Abstract

The mutual relationship between stacking and hydrogen bonding and the possible influence of stacking in the different behavior of DNA and RNA base pairs have been studied through complete DFT optimization of different structures of A-U and A-T dimers (i.e., A-U/U-A and A-T/T-A), using some functionals developed by the group of Truhlar. The results obtained in this work clearly show that stacking and hydrogen bonding are deeply connected. The different behavior of DNA and RNA when replacing uracil by thymine can be interpreted through the formation of a stabilizing CH/π interaction between the methyl group of thymine and the five-member ring of adenine. © 2009 American Chemical Society.

Original language	English
Pages (from-to)	4907-4914
Journal	Journal of Physical Chemistry B
Volume	113
Issue number	14
DOIs	https://doi.org/10.1021/jp809737c
Publication status	Published - 9 Apr 2009

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abstract = "The mutual relationship between stacking and hydrogen bonding and the possible influence of stacking in the different behavior of DNA and RNA base pairs have been studied through complete DFT optimization of different structures of A-U and A-T dimers (i.e., A-U/U-A and A-T/T-A), using some functionals developed by the group of Truhlar. The results obtained in this work clearly show that stacking and hydrogen bonding are deeply connected. The different behavior of DNA and RNA when replacing uracil by thymine can be interpreted through the formation of a stabilizing CH/π interaction between the methyl group of thymine and the five-member ring of adenine. {\textcopyright} 2009 American Chemical Society.",

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AU - Gil, Adrià

AU - Branchadell, Vicenç

AU - Bertran, Joan

AU - Oliva, Antoni

PY - 2009/4/9

Y1 - 2009/4/9

N2 - The mutual relationship between stacking and hydrogen bonding and the possible influence of stacking in the different behavior of DNA and RNA base pairs have been studied through complete DFT optimization of different structures of A-U and A-T dimers (i.e., A-U/U-A and A-T/T-A), using some functionals developed by the group of Truhlar. The results obtained in this work clearly show that stacking and hydrogen bonding are deeply connected. The different behavior of DNA and RNA when replacing uracil by thymine can be interpreted through the formation of a stabilizing CH/π interaction between the methyl group of thymine and the five-member ring of adenine. © 2009 American Chemical Society.

AB - The mutual relationship between stacking and hydrogen bonding and the possible influence of stacking in the different behavior of DNA and RNA base pairs have been studied through complete DFT optimization of different structures of A-U and A-T dimers (i.e., A-U/U-A and A-T/T-A), using some functionals developed by the group of Truhlar. The results obtained in this work clearly show that stacking and hydrogen bonding are deeply connected. The different behavior of DNA and RNA when replacing uracil by thymine can be interpreted through the formation of a stabilizing CH/π interaction between the methyl group of thymine and the five-member ring of adenine. © 2009 American Chemical Society.

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An analysis of the different behavior of DNA and RNA through the study of the mutual relationship between stacking and hydrogen bonding

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