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Mass spectrometric and computational study of complex formation of nucleic acid bases with acrylamide as a surrogate for asparagine and glutamine residues
Author(s) -
Galetich Igor K.,
Shelkovsky Vadim S.,
Kosevich Marina V.,
Blagoy Yury P.,
Shulyupitaly V.,
Poltev Valery I.
Publication year - 1998
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/(sici)1097-0231(19981130)12:22<1761::aid-rcm358>3.0.co;2-8
Subject(s) - chemistry , acrylamide , nucleic acid , asparagine , context (archaeology) , glutamine , computational chemistry , amino acid , organic chemistry , biochemistry , polymer , paleontology , copolymer , biology
In the context of the problem of nucleic acid–protein interactions, thermodynamic and geometrical parameters of complexes of methylated nucleic acid bases with acrylamide (as a model of the side chains of asparagine and glutamine) were investigated. Enthalpies of formation of nucleic acid base–acrylamide complexes, determined experimentally by means of temperature‐dependent field ionization mass spectrometry, were in reasonable agreement with the interaction energies calculated theoretically using atom–atom potential functions. A stability order for base–acrylamide complexes was determined:m 9 Gua ≥ m 2 1,4 Cyt ≥ m 1 Cyt > m 9 Ade > m 3 1,4,4 Cyt > m 1 Ura > m 2 1,3 Thy.The geometries of the most energetically favourable complexes are determined and discussed. © 1998 John Wiley & Sons, Ltd.