Figure 15.

Energy minimized geometrically constrained models of the following. (a) Ethylcellulose and hydroxyethylcellulose before complexation; (b) EC-HEC complex derived from MM computations. The atoms in close interaction proximity are emphasized by space filling model (dots) where the yellow dots depict atoms involved in H-bonding. Color codes for elements are carbon (cyan), nitrogen (blue), oxygen (red), and hydrogen (white). (c) Avicel (cellulose) and pectin before complexation; (d) PEC-AVC complex derived from MM computations. The atoms in close interaction proximity are emphasized by space filling model (dots) where the yellow dots depict atoms involved in H-bonding. Color codes for elements are carbon (cyan), nitrogen (blue), oxygen (red), and hydrogen (white).