Oral Presentations
Location
Schewel 232
Access Type
Campus Access Only
Entry Number
11
Start Date
4-6-2022 1:45 PM
End Date
4-6-2022 2:00 PM
Department
Chemistry
Abstract
A deuteron-selected acid is one in which the acidic proton (1H+) has been replaced with a deuteron (2H+ or D+). Deuterium selection has seen a recent rise in popularity within the pharmaceutical industry for its desirable effects on prescription medications, wherein the selection of deuterium causes slower drug metabolic rates without reduction of treatment effectiveness; it may also reduce toxicity through altered metabolic pathways. This delayed metabolic rate is caused by the kinetic isotope effect, a physical chemistry phenomenon in which a large increase in the relative mass of an isotope causes bond dissociation (splitting) to become less kinetically/energetically favorable. The goal of this research was to determine the relative energetic favorability of deuteron-selected acetic acid via experimental determination of the Gibbs Free Energy (ΔG) of dissociation, a thermodynamic value which assesses the energetic favorability of acidic dissociation at standard conditions. This involved utilizing a modified titration technique to determine the equilibrium constants (Ka) for both acids, which were then interpolated to calculate Gibbs Free Energy of dissociation for the protonated and deuterated form of each acid for comparative thermodynamic profiling.
Faculty Mentor(s)
Dr. William LokarDr. Priscilla GannicottDr. William Roach
Rights Statement
The right to download or print any portion of this material is granted by the copyright owner only for personal or educational use. The author/creator retains all proprietary rights, including copyright ownership. Any editing, other reproduction or other use of this material by any means requires the express written permission of the copyright owner. Except as provided above, or for any other use that is allowed by fair use (Title 17, §107 U.S.C.), you may not reproduce, republish, post, transmit or distribute any material from this web site in any physical or digital form without the permission of the copyright owner of the material.
Experimental Determination of the Acidic Dissociation Constant and Gibbs Free Energy of Dissociation for Deuteron-Selected Acetic Acid
Schewel 232
A deuteron-selected acid is one in which the acidic proton (1H+) has been replaced with a deuteron (2H+ or D+). Deuterium selection has seen a recent rise in popularity within the pharmaceutical industry for its desirable effects on prescription medications, wherein the selection of deuterium causes slower drug metabolic rates without reduction of treatment effectiveness; it may also reduce toxicity through altered metabolic pathways. This delayed metabolic rate is caused by the kinetic isotope effect, a physical chemistry phenomenon in which a large increase in the relative mass of an isotope causes bond dissociation (splitting) to become less kinetically/energetically favorable. The goal of this research was to determine the relative energetic favorability of deuteron-selected acetic acid via experimental determination of the Gibbs Free Energy (ΔG) of dissociation, a thermodynamic value which assesses the energetic favorability of acidic dissociation at standard conditions. This involved utilizing a modified titration technique to determine the equilibrium constants (Ka) for both acids, which were then interpolated to calculate Gibbs Free Energy of dissociation for the protonated and deuterated form of each acid for comparative thermodynamic profiling.