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Computer-designed molecule to clean up fluorocarbons?

es in molecules, together with the example of a known molecule that binds to and extracts chlorine ions, to calculate the make-up and geometry of the critical "active site" in the enzyme that does the work. They then designed in software a large ring-shaped molecule to hold those components in just the right orientation to break the C-F bond in methyl fluoride, a simple fluorocarbon.

Researchers at the University of Texas now are synthesizing the new molecule to test its effectiveness. If it matches theoretical predictions, it will be the first example of a simple organic molecular system able to break C-F bonds without extreme temperature and pressure conditions, and a demonstration of a novel technique for designing man-made molecules that can mimic the extraordinary selectivity and chemical activity of natural enzymes. Notes lead researcher Carlos Gonzalez, "All of these useful things are in nature, you just have to find them and make them more efficient."


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Contact: Michael Baum
michael.baum@nist.gov
301-975-2763
National Institute of Standards and Technology (NIST)
2-Mar-2007


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