PPP calculations of the circular dichroism spectra of some dinucleoside phosphates
β Scribed by Margaret L. Bailey
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 1972
- Tongue
- English
- Weight
- 584 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0006-3525
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β¦ Synopsis
This method does not require the prior knowledge of the experimental absorption spee tra or transition moments of the bases forming the dinucleoside phosphates. Calculated spectra were obtained in good agreement with experimental spectra for four dinucleoside phosphates, ApA, UpU, GpA, and UpA, and reasonable agreement was obtained for ApG and ApU. The effect of changing conformation on the CD spectrum was studied for ApA, UpU, UpA, and ApU; the spectra of UpU, UpA, and ApU were sensitive to small changes in conformation, whereas ApA was insensitive over the range of conformations studied. Further studies await det,ailed knowledge of the structure of dinucleoside phosphates in solution.
π SIMILAR VOLUMES
## Abstract A calculation has been done of the circular dichroism (CD) spectrum of an unordered polypeptide chain. This has been based on a Boltzmann averaging over a dipeptide conformational CD map. This is shown to be valid by comparing the CD spectra of 28βmer oligopeptides with those generated
## Abstract The ultraviolet circular dichroism (CD) of oriented DNA and RNA molecules is calculated by an extension of Johnson and Tinoco's theory [(1969) __Biopolymers__ **7**, 727β749] for unoriented molecules. The calculations are carried out for molecular models of AβDNA, BβDNA, planar BβDNA, C
It x% iii be shown thar Factors of virtually no influence on the vibronic structure of the absorption spectra in biaryls may profoundly change the corresponding vibronic structure in the CD spectra. This is illustrated by the theoretica analysis of the experimental vibronic absorption and CD spectra