C. Santhosh et Pc. Mishra, ELECTROSTATIC POTENTIAL AND ELECTRIC-FIELD MAPPING OF SOME SWEETENERSOF THE SUOSAN SERIES - A SEARCH FOR THE STRUCTURE-ACTIVITY RELATIONSHIP, International journal of quantum chemistry, 51(5), 1994, pp. 335-341
Electrostatic potential and electric field maps of some suosan series
of sweeteners have been studied. Geometries optimized using the MNDO m
olecular orbital method and charge distributions obtained by the Mulli
ken population analysis were employed in the calculations. Sweetness p
otencies of the molecules were compared with electrostatic potentials
and electric field strengths near the terminal COOH group. The observe
d sweetness potencies of the compounds and calculated electric fields
near the carbonyl oxygen of the COOH group are found to be strongly co
rrelated. (C) 1994 John Wiley & Sons, Inc.