Chemical components of explosives compounds have contaminated environments and water to extreme levels. Chemicals such as 2,4,6-trinitrotoluene (TNT) and 1,3,5-Trinitro-1,3,5-triazinane (RDX) pose a risk to the health of humans, livestock, wildlife and ecosystems. Both TNT and RDX have been shown to cause adverse health effects in mammals such as: anemia, nausea, convulsions, and ultimately death. Recently, TNT and RDX were classified as potential human carcinogens and were restricted to a 2.0 g/L health advisory limit. Covalent Organic Framework (COFs) provide a chemically robust and tunable platform for detection, sequestration, and remediation of explosive compounds. We propose to design a biomimetic catalytic COF platform inspired from an Fe(III)-based cytochrome P450 enzyme, where 2D geometry, 3D geometry, and metal center loading be varied. We will determine how each characteristic affects the detection, sequestration, and remediation of TNT and RDX in synthetic wastewater. Mechanochemical synthesis will be used and optimized to scale COF synthesis and produce a COF material at 10x the current reported level of fabrication. The proposed research will result in the down selection of a specific COF design and demonstration of a scalable fabrication approach for further exploration and commercialization efforts.
