C-13 Chemical Shifts – Structure Relationships In Nucleic Acids

Warning

This publication doesn't include Faculty of Arts. It includes Faculty of Science. Official publication website can be found on muni.cz.
Authors

NOVÁK Petr SKLENÁŘ Vladimír FIALA Radovan

Year of publication 2009
Type Conference abstract
MU Faculty or unit

Faculty of Science

Citation
Description We have calculated the chemical shifts of carbon nuclei in nucleic acid bases. The structural dependent part of the 13C chemical shifts was calculated as a sum of the contributions of the ring current shift, magnetic anisotropy (calculated by program NUCHEMICS), and the electric field effect (calculated by program MOLMOL). The calculated contributions were added to the experimental shift values of free mononucleotide triphosphates assumed to be free of the effects of stacking and base-pairing interactions. The resulting chemical shifts were found to be rather sensitive to even slight structural changes. This confirms that 13C shifts are sensitive monitors of structural features, on the other hand, it makes obtaining good agreement with experimental shift values difficult.
Related projects:

You are running an old browser version. We recommend updating your browser to its latest version.