Temperature-dependent influence of FliA overexpression on PHL628 E. coli biofilm growth and composition
Published in Frontiers in Cellular and Infection Microbiology, 2021
It was demonstrated by Prof. Jiajia Ma’s group at Shanghai Tong University that an arene reduction reaction by hydrogen atom transfer enabled by energy transfer catalysis allows for a higher functional group tolerance. My goal was to support the hypothesis that the chemoselectivity of the reaction was dictated by triplet energies rather than reduction potentials in contrast to conventional reduction reactions. I was able to accomplish this through calculations of triplet energies and dexter energy transfers from an iridium-based photosensitizer, showing that a photocatalytic pathway prevents the functional groups from getting activated while allowing the hydrogen atom transfer to take place. In addition, I was able to propose a mechanism for this photocatalytic hydrogen atom transfer reaction through various Gibbs free energy and minimum energy crossing point calculations. Specifically, I calculated the energy barriers for all theoretically possible 48 reaction pathways, allowing me to elucidate the structural configurations that allow for a smooth hydrogen atom transfer reaction. This research paper in which I am the first author along with the principal experimentalist is published in Angewandte Chemie.
Recommended citation: Buck, L.D. ‡, Paladino, M.M. ‡, Nagashima, K., Holtzman, J.S., Brezel, E.R., Urso, S.J., Ryno, L.M. Temperature-dependent influence of FliA overexpression on PHL628 E. coli biofilm growth and composition. Frontiers in Cellular and Infection Microbiology, 2021, 11, 775270. DOI: 10.3389/fcimb.2021.775270
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