Systematic Study of Soft X-ray Spectra of Poly(Dg)center dot Poly(Dc) and Poly(Da)center dot Poly(Dt) DNA Duplexes
2010 (English)In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 114, no 20, 7016-7021 p.Article in journal (Refereed) Published
In the present work, we have undertaken a combined experimental and theoretical study of X-ray spectroscopies for DNA base pairs, more precisely near-edge X-ray absorption, X-ray emission, and resonant inelastic X-ray scattering applied to poly(dG)center dot poly(dC) and poly(dA)center dot poly(dT) DNA duplexes. We have derived several conclusions on the nature of these X-ray spectra: the stacking of pairs has very little influence on the spectra; the spectra of a DNA composed of mixed Watson-Crick base pairs are well reproduced by linear combinations of GC and AT base pairs involved; the amine and imine nitrogens show noticeable differences as building blocks in the absorption, emission, and resonant emission spectra. The calculated spectra are in good agreement with experimental results. The ramifications of these conclusions for the use of X-ray spectroscopy for DNA are discussed.
Place, publisher, year, edition, pages
2010. Vol. 114, no 20, 7016-7021 p.
TRANSMISSION-GRATING SPECTROMETER, AMINO-ACIDS, ELECTRONIC-STRUCTURE, ABSORPTION SPECTRA, CORRELATION-ENERGY, SPECTROSCOPY, EDGE, APPROXIMATION, DENSITY, NUCLEOBASES
IdentifiersURN: urn:nbn:se:kth:diva-27576DOI: 10.1021/jp911199eISI: 000277776800031ScopusID: 2-s2.0-77952702749OAI: oai:DiVA.org:kth-27576DiVA: diva2:377703
QC 201012142010-12-142010-12-132011-04-04Bibliographically approved