Potential Energy Fields about Nitrogen in Choline and Ethanolamine: Biological Function at Cellular Surfaces

Science  01 Aug 1969:
Vol. 165, Issue 3892, pp. 512-513
DOI: 10.1126/science.165.3892.512


Partial charge distribution on first and second neighbor atoms to nitrogen in choline and ethanolamine have been calculated. Coulombic and steric parameters were then utilized to evaluate the interaction of a negative test charge with the two molecules. Both the position and the magnitude of the maximum of interaction energy in the two systems were significantly different. The results suggest that ethanolamine interacts more strongly with anions than choline does. This is due principally to steric repulsion of the negative charge by the methyl groups in choline.