Date Thesis Awarded

5-2016

Document Type

Honors Thesis

Degree Name

Bachelors of Science (BS)

Department

Chemistry

Advisor

John C. Poutsma

Committee Member

Tyler K. Meldrum

Committee Member

Christopher J. Abelt

Committee Member

David S. Armstrong

Abstract

Mass Spectrometry is a very useful technique for proteomics studies. Currently Bottom-up proteomics uses peptide-sequencing databases to identify peptides from fragmentation spectra. However, these databases lack information about selective fragmentation of proline containing peptides, resulting in the failure of that peptide being sequenced. The selective cleavage proline causes during low-energy dissociations in the gas-phase is known as the “proline effect.” In order to better understand the proline effect, the proton affinity of proline-containing dipeptides is obtained theoretically using B3LYP and compared to experimental values from an extended kinetic method experiment on a triple quadrupole mass spectrometer. Pro-Pro, Pro-Phe and Phe-Pro were found to have proton affinities of 990, 979 and 974 kJ/mol.

Creative Commons License

Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 License.

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