The Shapes and Cavities of the m-Xylylene Cholic Acid Host
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 2/24/90). 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 5/17/90). 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.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 03, 1991
- Accession Number
- ADA238030
Entities
People
- Carol A. Venanzi
- Suzanne M. Evans
Organizations
- New Jersey Institute of Technology