Acetaminophen Study by Rhodes Group Published in Computational and Theoretical Chemistry

Katherine DiGiovanni ’12 recently had a manuscript based on her undergraduate research accepted for publication in peer-reviewed journal Computational and Theoretical Chemistry. A biology major and psychology minor, DiGiovanni worked in the lab of Mauricio Cafiero, James H. Daughdrill Professor of Natural Sciences, during her junior spring semester, summer, and senior year. 

The manuscript, “MP2//DFT Calculations of Interaction Energies Between Acetaminophen and Acetaminophen Analogues and the Aryl Sulfotransferase Active Site,” features DiGiovanni as the first author; Prof. Cafiero and two other Rhodes students, Katherine Hatstat ’16 and Jennifer Rote ’15, also are listed as authors. The work explores the interactions between small molecules like acetaminophen and the enzyme sulfotransferase. 

DiGiovanni was a Rhodes Fellow in the summer of 2011, and she has presented her work at the American Chemical Society National Conference in San Diego, Calif., the 20th Conference on Current Trends in Computational Chemistry in Jackson, Miss., the 10th MERCURY conference in Lewisburg, Pa., and the Undergraduate Research Conference in Memphis, Tenn.

She currently is an intern with the Chief Medical Officer at Methodist University Hospital in Memphis, and expects to attend medical school in fall 2013. 

The manuscript is online here