Abstract
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: m9Gua ≥ m21,4 Cyt ≥ m1 Cyt > m9 Ade > m31,4,4 Cyt > m1 Ura > m21,3 Thy.The geometries of the most energetically favourable complexes are determined and discussed. © 1998 John Wiley & Sons, Ltd.
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