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Reidar Lyng (Institutionen för fysikalisk kemi) ; A. Rodger ; Bengt Nordén (Institutionen för fysikalisk kemi)
Biopolymers (0006-3525). Vol. 32 (1992), 9, p. 1201-1214.
[Artikel, refereegranskad vetenskaplig]

A systematic theoretical study of the CD of [poly (dA-dT)]2 and its complexes with achiral small molecules is presented. The CD spectra of [poly (dA-dT)]2 and of poly (dA):poly(dT) are calculated for various DNA structures using the matrix method. The calculated and experimental spectra agree reasonably well for [poly(dA-dT)]2 but less well for poly(dA):poly(dT). The calculated CD spectrum of [poly(dA-dT)]2 fails to reproduce the wavelength region of 205-245 nm of the experimental spectrum. This discrepancy can be explained by a magnetic dipole allowed transition contributing significantly to the CD spectrum in this region. The induced CD of a transition moment of a molecule bound to [poly(dA-dT)]2 is also calculated. As was the case for [poly(dG-dC)]2, the induced CD of a groove bound molecule is one order of magnitude stronger than that of an intercalated molecule. The calculations also show considerable differences between pyrimidine-purine sites and purine-pyrimidine sites. Both signs and magnitudes of the CD induced into ligands bound in the minor groove agree with experimental observations.

Nyckelord: induced circular-dichroism, nucleic-acid monomers, adenine chromophore, electronic-spectrum, linear dichroism, transition, complexes, netropsin, 9-ethylguanine, parameters

Denna post skapades 2011-08-18.
CPL Pubid: 144492


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