Synthesis, Characterization, and Exploration of Binding Mode Preference for the Complex of Iron with the Antibiotic Cefdinir
Abstract
Cefdinir is a common antibiotic used to treat an array of bacterial infections of the upper respiratory system. A common side effect observed in patients with high iron diets (typically formula-fed infants and supplemented geriatrics) is a distinctive non-bloody red stool. This has been attributed directly to complexation of iron(III) by cefdinir. This has only been loosely confirmed and the actual structure of the complex has never been identified, though speculations have been proposed. We have sought a hybrid computational-experimental approach to uncovering the actual iron-cefdinir complex. Structure modeling results using Orca are presented alongside results obtained for synthesized complex including magnetic susceptibility, NMR, mass spectrometry and UV-visible spectroscopy.
College
College of Science & Engineering
Department
Chemistry
Campus
Winona
First Advisor/Mentor
Joseph West
Location
Ballroom - Kryzsko Commons
Start Date
4-18-2024 2:00 PM
End Date
4-18-2024 3:00 PM
Presentation Type
Poster Session
Format of Presentation or Performance
In-Person
Session
2b=2pm-3pm
Poster Number
43
Synthesis, Characterization, and Exploration of Binding Mode Preference for the Complex of Iron with the Antibiotic Cefdinir
Ballroom - Kryzsko Commons
Cefdinir is a common antibiotic used to treat an array of bacterial infections of the upper respiratory system. A common side effect observed in patients with high iron diets (typically formula-fed infants and supplemented geriatrics) is a distinctive non-bloody red stool. This has been attributed directly to complexation of iron(III) by cefdinir. This has only been loosely confirmed and the actual structure of the complex has never been identified, though speculations have been proposed. We have sought a hybrid computational-experimental approach to uncovering the actual iron-cefdinir complex. Structure modeling results using Orca are presented alongside results obtained for synthesized complex including magnetic susceptibility, NMR, mass spectrometry and UV-visible spectroscopy.
