Ali Seblini
Research Mentor(s): James Penner-Hahn
Mentor Department: Chemistry and Biophysics
Authors: Ali Seblini, James Penner-Hahn
Session: Session 3 (11:00am – 11:50am)
Presentation Type: Poster 59
Abstract
Vitamin B12 plays a role in DNA synthesis and metabolism. B12 deficiencies are linked to anemia, neurological disorders, and metabolic health issues. Understanding its molecular behavior can be used to advance medical research and address health issues associated with its deficiency. This research investigates the excited states of vitamin B12 using Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy to determine bond lengths and atomic configurations. Computational tools, including Athena and Artemis, are used to preprocess data, perform background subtraction, and fit experimental results to theoretical models. Current efforts include fitting the first shell in Artemis and calculating the optimal E0 for FEFF calculations. Cobalt hexamine is used as a reference to determine the parameters because of its similar structure. These steps will lead to structural estimates for cobalamin and its derivatives. Early results demonstrate the successful application of EXAFS to obtain structural information from experimental data. The project’s goal is to obtain structural estimates of different cobalamin species. The findings highlight the usefulness of EXAFS spectroscopy in understanding atomic interactions.
