Presentation Title

Quantification of ABE Fermentation products by 2D NMR

Faculty Mentor

Gregory Alan Barding Jr.

Start Date

18-11-2017 12:30 PM

End Date

18-11-2017 1:30 PM

Location

BSC-Ursa Minor 136

Session

Poster 2

Type of Presentation

Poster

Subject Area

physical_mathematical_sciences

Abstract

Biofuel development is a topic of high interest. Butanol, a promising alternative and direct substitute for gasoline powered engines, is naturally produced in relatively large quantities by bacteria that undergo ABE fermentation. To maximize butanol production, understanding the basic biochemistry of the underlying pathways is important and one of the other products of ABE fermentation is butyric acid. Quantification is further complicated by the similarities of the two compounds, with several resonances overlapping. To this end, our goal is to take advantage of the inherently quantitative and selective nature of NMR spectroscopy. For this project, quantification of butanol and butyric acid can only be carried out using a 2D experiment, which is not usually quantitative. To explore the quantitative nature of 2D NMR and quantify butanol and butyric acid, 1D and 2D TOCSY NMR methods were carried out on a buffered solution containing of butanol and butyric acid. The sample was measured under three different pH values; 4.75, 7.00, and 8.5 to determine optimal analysis condition. By integrating the signals of each NMR method, the concentration of butanol and butyric acid can be calculated. The calculated concentrations of butanol and butyric acid in the various pHs were similar to the initial concentration of 20mM in the 1D analysis, but varied significantly in the TOCSY method. With this data, we are in the process of developing a quantitative 2D TOCSY that will allow accurate and fast quantitation of trace butyric acid in the presence of high levels of butanol.

This document is currently not available here.

Share

COinS
 
Nov 18th, 12:30 PM Nov 18th, 1:30 PM

Quantification of ABE Fermentation products by 2D NMR

BSC-Ursa Minor 136

Biofuel development is a topic of high interest. Butanol, a promising alternative and direct substitute for gasoline powered engines, is naturally produced in relatively large quantities by bacteria that undergo ABE fermentation. To maximize butanol production, understanding the basic biochemistry of the underlying pathways is important and one of the other products of ABE fermentation is butyric acid. Quantification is further complicated by the similarities of the two compounds, with several resonances overlapping. To this end, our goal is to take advantage of the inherently quantitative and selective nature of NMR spectroscopy. For this project, quantification of butanol and butyric acid can only be carried out using a 2D experiment, which is not usually quantitative. To explore the quantitative nature of 2D NMR and quantify butanol and butyric acid, 1D and 2D TOCSY NMR methods were carried out on a buffered solution containing of butanol and butyric acid. The sample was measured under three different pH values; 4.75, 7.00, and 8.5 to determine optimal analysis condition. By integrating the signals of each NMR method, the concentration of butanol and butyric acid can be calculated. The calculated concentrations of butanol and butyric acid in the various pHs were similar to the initial concentration of 20mM in the 1D analysis, but varied significantly in the TOCSY method. With this data, we are in the process of developing a quantitative 2D TOCSY that will allow accurate and fast quantitation of trace butyric acid in the presence of high levels of butanol.