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Solution structure of DNA: The method of nuclear magnetic resonance spectroscopy
Author(s) -
Mitra C. K.,
Sarma Ramaswamy H.,
GiessnerPrettre C.,
Pullman Bernard
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560180705
Subject(s) - diamagnetism , electromagnetic shielding , chemistry , nuclear magnetic resonance spectroscopy , anisotropy , spectroscopy , nuclear magnetic resonance , computation , magnetic field , paramagnetism , crystallography , nucleic acid , molecular physics , physics , condensed matter physics , optics , quantum mechanics , biochemistry , algorithm , computer science
A method of NMR spectroscopy which involves the computation of magnetic shielding constants from xyz coordinates, taking into consideration the contribution to shielding from ring current fields, the diamagnetic and paramagnetic components of the atomic magnetic anisotropy, is presented to solve the solution spatial configuration of single stranded and double helical nucleic acids. It is shown that the CCA terminus of tRNA in solution assumes a structure very much different from its crystal structure. However, for the double helical poly(dG‐dC)‐poly(dG‐dC) in high salt solution, the observed structure shows eminent agreement with the left‐handed Z‐DNA proposed from single crystal structural studies.