A brief description of our research interests:
The entrapment of molecules (guests) inside cavitands (concave hosts with an enforced cavity) allows for controlling the guest’s local environment and its chemical characteristics. One can use molecular encapsulation for (a) stabilizing reactive intermediates, (b) accelerating chemical reactions, (c) modulating conformational dynamics of entrapped compounds, (d) improving the solubility of useful drugs in water and (e) promoting the crystallization of molecules. Despite many advances in this area of chemistry there are numerous challenges of which those of interest to us are described below.
The encapsulation of a reactant and its conversion into desired product, within supramolecular catalysts, have limited utility and scope. This is in contrast to biological catalysts (enzymes) capable of rapidly promoting a variety of chemical reactions at a rapid rate and stereoselectively. In this vein, the process of stereoselective recognition is well known yet the principles guiding it to facilitate the design of stereoselective hosts/catalysts are not well understood. Biological organelles and cells manage a plethora of simultaneous chemical reactions as assisted with compartmenalization and controlled trafficking of molecules across biological membranes. The process of molecular encapsulation could play a role in controlling the permeability of lipid membranes and additional research is needed for implementing the concept in artificial systems. The encapsulation chemistry is often completed in organic media yet many applications require biologically friendly (aqueous) environments.
Our research program focuses on:
(A) developing efficient methods for the preparation of novel modular hosts and examining their mechanism of action in trapping complementary guests in both organic and aqueous environments.
(B) examining the assembly of cup-shaped hosts in water and understanding the functional behavior of such hierarchical materials.
In particular, we are interested in using molecular baskets (designed in our laboratory with methods of computational chemistry) for building functional materials capable of rapidly removing nerve agents from harsh environments. Additionally, our interests center on mimicking the action of monooxygenases (or even using these enzymes) for promoting the oxidation of small hydrocarbons.
If you are interested in joining our group, as a graduate student or postdoc, please contact prof. Badjic at badjic.1@osu.edu.