Summer At PNNL: Incorporating Computational Chemistry In The Study Of PAH Degradation Products

Back in April, I was awarded the SRP Trainee Externship Award through OSU’s SRP Training Core to help support my training opportunity at the Pacific Northwest National Laboratory (PNNL) as an Alternate Sponsored Fellow. The aim of this internship was to predict the formation of hydroxy- and oxygenated‑PAHs (OHPAHs and OPAHs, respectively) in the environment using a computational chemistry approach. OPAHs and OHPAHs can be formed from the degradation of PAHs. OPAHs in air samples have been found to be more mutagenic than the unsubstituted PAHs.