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American Chemical Society, Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), 40(111), p. 11812-11816, 2007

DOI: 10.1021/jp070403m

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Are adenine strands helical H-aggregates?

Journal article published in 2007 by LiHong Hu, Yang Zhao, Fan Wang, Guan Hua Chen, Chensheng, Chensheng Ma, Wai-Ming Kwok ORCID, David Lee Phillips
This paper is available in a repository.
This paper is available in a repository.

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Abstract

On the basis of our quantum mechanical calculation, we propose that homogeneous single-stranded adenine bases (Ade-DNA) form helical H aggregates, and the photoexcited states can be described as Frenkel excitons. The calculated excitonic coupling between adjacent transition dipoles is in good agreement with the measured absorption spectrum of 20-base homogeneous adenine stacks that exhibits a blue shift of 2.6 nm relative to that of the monomeric species.