Polycyclic aromatic hydrocarbons (PAHs) are formed during the incomplete burning of organic substances, and due to their toxicity have been classified as carcinogens. PAHs are commonly introduced into the human body via the inhalation of particulate matter that has been contaminated, and absorbed onto the surface lining of the lung tissue, leading to lung cancer. Cyclodextrins, our host complex, form complexes with a multitude of hydrophobic molecules and are ideally suited to be representative of particulate matter since they noncovalently complex with PAHs based on size and structure. An investigation of the inclusion complex formed by PAHs and particulate matter will provide essential information to the reduction of carcinogenic risks associated with the inhalation of the contaminated matter.

Our primary goals in this investigation are two fold, to measure the relative abundance of multiple PAH: CD inclusion complexes retained during the ESI process and generate an index of PAH inclusion complexes. This will provide comparative information about PAH inclusion processes. Our secondary goal is to determine the binding energies between the PAH:CD complex via ESI-MS titration and molecular modeling to gain a more comprehensive understanding of how PAHs bind to particulate matter in the gaseous phase.

The PAHs examined include Pyrene, Chrysene, Benzo(alpha) Pyrene, Phenanthracene and Antracene. In addition Alpha, Beta and Gamma cyclocodextrin will all be tested as potential complexing hosts for the PAHs. The instrumentation utilized is a Thermo LTQ Obitrap with nano esi capability and system optimization preformed using PAH.