Rapid Optimization and Synthesis of New Phenanthroline Amino Acid Ligands using DoE

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Developing a statistical model for the reaction of aromatic amino acid esters with 1,10-phenanthroline-5,6-dione for the generation of new phen ligands, though Design of Experiments (DoE).  

The reaction model identified a significant relationship between amino acid p-Hammett parameter and temperature. This relationship was visually and mathematically modeled and has enabled a temperature optimized targeted synthesis of a variety of different ligands. 

In total, 25 new phen ligands have since been synthesized and purified using mass directed preparative HPLC. The total turnaround time was less than 10 days from inception to delivery.

Read more detail about how we developed our statistical model in our poster below. 

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