Electrostatics in molecular recognition: From ion pairs and inophores to nucleotides and dna1

Abstract

: The practical use as well as the empirical evaluation of electrostatic contributions in supramolecular complexes is reviewed on the basis of organic ion pairs, including amino-cyclodextrin - phosphate complexes and interactions between polyamines and DNA. The systematical analysis of these systems in water yield a surprisingly uniform value of 5±1 kJ per Mol and salt bridge. Additional contributions from hydrogen bond and Van der Waals effects with the amino- cyclodextrins lead for nucleotides to simultaneous discrimination between nucleobases, 3‘-/5’- phosphates, and 2'-oxy/deoxy derivatives. Electrostatic interactions in crown ether and cryptand complexes can be scaled by corresponding electron donor numbers for the different ligand atoms; the use of additive increments leads to a comprehensive description of corresponding alkali and ammonium ion complex stabilities. © 1993, Taylor & Francis Group, LLC. All rights reserved.