Accession Number:

ADA238030

Title:

The Shapes and Cavities of the m-Xylylene Cholic Acid Host

Descriptive Note:

Technical rept. no. 9

Corporate Author:

NEW JERSEY INST OF TECH NEWARK

Personal Author(s):

Report Date:

1991-07-03

Pagination or Media Count:

12.0

Abstract:

Previous studies have dealt with the three-dimensional shapes of the cholic acid host systems created by using either a meta-or paraxylylene diamine spacer between two cholic acid molecules report 1 entitled The Cholic Acid Host System Shape of 22490. Due to the flexible geometry of the hosts with their sensitivity to minor bond rotations, cavities of different sizes and shapes had been obtained. Simple rotations of two dihedral angles in the flexible cholic acid side chain seemed to be critical for creating-either an overall C or S shape report 2 entitled The Cholic Acid Host System Shape of 51790. The cholic acid host shapes which were previously created had not been correlated with their relative energies, and therefore, our recent studies have focused on conformation and energy. We have studied one host, the m-xylylene diamine cholic acid host mCAH, and have used various strategies to generate a complete energy surface.

Subject Categories:

  • Organic Chemistry

Distribution Statement:

APPROVED FOR PUBLIC RELEASE