Analysis of the interactions and complexations of polycyclic aromatic hydrocarbons and cyclodextrin using electrospray ionization mass spectrometry

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. Our primary goal is 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 particulate matter in the gaseous phase. PAHs examined include Pyrene, Chrysene, Benzo(alpha) Pyrene, Phenanthracene and Anthracene. Alpha, Beta and Gamma cyclocodextrin will serve as potential complexing hosts for the PAHs.