Optimization of LC/APCI-MS quinone isomer separation

CINF 47

Aidee Gonzalez, agonza51@calstatela.edu, Krishna L. Foster, kfoster@calstatela.edu, and Grady Hanrahan, ghanrah@calstatela.edu. Department of Chemistry and Biochemistry, California State University, Los Angeles, 5151 State University Drive, Los Angeles, CA 90032
Polycyclic aromatic hydrocarbons (PAHs) are of health concern due to their mutagenic and carcinogenic properties. Incomplete organic combustion processes are the main source of this class of ubiquitous compounds. Oxidation of PAHs occurs in the natural environment and produces various products including isomers. A challenge faced while studying these compounds and their oxidized derivatives is their chromatographic separation. Isomers are the most difficult to separate because of their slight structural differences. High performance liquid chromatography separation of benzo[a]pyrene-1,6-, -3,6-quinones, oxidized products of the PAH model compound benzo[a]pyrene, have been optimized with a highly effective chemometric response surface designs. In particular, a Box-Behnken design was incorporated to study the effect of eluent composition, flow rate, and column temperature on experimental response. The response was measured as a combination of chromatographic resolution and retention time, and was interpreted with the aid of the Box-Behnken model results. The optimum predicted conditions were experimentally tested and offered resolved quinones giving the possibility for quantitative analysis by peak integration.
 

Sci-Mix
8:00 PM-10:00 PM, Monday, March 26, 2007 Hyatt Regency Chicago -- Riverside Center, Sci-Mix

Division of Chemical Information

The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007