Open Access. Powered by Scholars. Published by Universities.®

Physical Sciences and Mathematics Commons

Open Access. Powered by Scholars. Published by Universities.®

University of Tennessee at Chattanooga

Honors Theses

Theses/Dissertations

Chemistry, Physical and theoretical

Articles 1 - 2 of 2

Full-Text Articles in Physical Sciences and Mathematics

Theoretical Studies Of Benzoquinone Reactivity In Acidic And Basic Environments, Natali Majoras May 2022

Theoretical Studies Of Benzoquinone Reactivity In Acidic And Basic Environments, Natali Majoras

Honors Theses

Quinones are a class of organic compounds containing a six-membered unsaturated ring with two carbonyl groups. They are biologically relevant mostly due to their ability to participate in redox reactions. Prior experiments in our lab showed that quinones can induce protein modifications that are pH dependent. In an acidic environment the modifications were less significant than in a basic environment. Previous computational studies have also been carried out to model, in neutral solutions, the reaction between various quinones and various amines. Various amine groups are used as a model for the amino group of lysine to represent protein modification. The …


Theoretical Studies Of Naphthoquinone Reactivity Toward Amines, Kevin Lee May 2019

Theoretical Studies Of Naphthoquinone Reactivity Toward Amines, Kevin Lee

Honors Theses

Quinones are a class of organic compounds containing a six-membered unsaturated cyclic ring with two carbonyl groups and are biologically relevant due to their ability to participate in redox reactions. Experiments have showed that quinones can induce protein modifications including oligomerization and polymerization by binding to proteins. To complement these experimental studies, theoretical studies of naphthoquinone reactivity toward an amino group were conducted. The reactions between three naphthoquinones, 1,2-naphthoquinone (ONQ), 1,4-naphthoquinone (PNQ), and 2-hydroxy-1,4-naphthoquinone (HNQ), and methylamine, a N-containing nucleophile, were investigated. For each naphthoquinone, the first step of both 1,2- and 1,4-additions at all possible C=O positions were examined. …