Date Thesis Awarded
5-2016
Access Type
Honors Thesis -- Access Restricted On-Campus Only
Degree Name
Bachelors of Science (BS)
Department
Chemistry
Advisor
John C. Poutsma
Committee Members
Tyler K. Meldrum
Christopher J. Abelt
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.
Recommended Citation
Lachowicz, Anton Luke, "An Experimental and Theoretical Study of Proton Affinity in Proline-Containing Dipeptides: Exploring the “Proline Effect”" (2016). Undergraduate Honors Theses. William & Mary. Paper 935.
https://scholarworks.wm.edu/honorstheses/935
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