Electronic Structure Analysis of Sulfanilamide-based Imines
Presenter(s)
Autumn Schuch, Clara Thompson, Samantha Andersen, Andrew Denneson, and Lauren Bailey
Abstract
In this project, we focused on the properties modeling of sulfamethoxazole-based imines by modeling synthesized compounds in both cis and trans forms. Our aim was to mine properties for alignments with bioactivity results. The results, specifically the energies, were analyzed to determine the effects of substituents on isomer selection as well as other properties. Electronic properties, specifically population analyses of key atoms, have been conducted as well.
College
College of Science & Engineering
Department
Chemistry
Campus
Winona
First Advisor/Mentor
Joseph West
Location
Kryzsko Great River Ballroom, Winona, Minnesota; United States
Start Date
4-23-2026 1:00 PM
End Date
4-23-2026 2:00 PM
Presentation Type
Poster Session
Format of Presentation or Performance
In-Person
Session
2a=1pm-2pm
Poster Number
57
Electronic Structure Analysis of Sulfanilamide-based Imines
Kryzsko Great River Ballroom, Winona, Minnesota; United States
In this project, we focused on the properties modeling of sulfamethoxazole-based imines by modeling synthesized compounds in both cis and trans forms. Our aim was to mine properties for alignments with bioactivity results. The results, specifically the energies, were analyzed to determine the effects of substituents on isomer selection as well as other properties. Electronic properties, specifically population analyses of key atoms, have been conducted as well.
Comments
Schuch, Autumn J; Thompson, Clara; Andersen, Samantha; Denneson, Andrew C; Bailey, Lauren E