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Calculations of the circular dichroism of double‐helical nucleic acids. I. Effects involving π → π* transitions
Author(s) -
Studdert David S.,
Davis Robert C.
Publication year - 1974
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.1974.360130709
Subject(s) - circular dichroism , chemistry , nucleic acid , tilt (camera) , base (topology) , twist , base pair , vibrational circular dichroism , helix (gastropod) , crystallography , molecular physics , dna , geometry , mathematical analysis , biochemistry , ecology , mathematics , snail , biology
Abstract The circular dichroism of double‐helical nucleic acids was calculated as a function of geometry using the theory of Tinoco and Johnson. This theory does not include contributions of near ultraviolet transitions that are not π → π* in nature. The calculated circular dichroism shows a strong dependence on the distance of base pairs from the helix axis and the tilt of the base pair. Smaller dependences are predicted for the propeller‐like twist of a base pair and for variation of the angular increment per base pair. Moderately good agreement between calculated and many experimentally observed spectra could be generated.