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Establishment of gas-phase thermochemical values of various small organic compounds and oligopeptides

Author

Zachary Buen, University of the Pacific

Date of Award

2016

Document Type

Thesis - Pacific Access Restricted

Degree Name

Master of Science (M.S.)

Department

Pharmaceutical and Chemical Sciences

First Advisor

Jianhua Ren

First Committee Member

Ryan Moffet

Second Committee Member

Jianhua Ren

Third Committee Member

Jerry Tsai

Abstract

The thesis describes utilizing mass spectrometry and computational methods to study two groups of molecular systems: small organic molecules and oligopeptides. The gas-phase acidities were measured and the structures of the molecular species were calculated. The small molecules investigated included methylparaben, ibuprofen, and triclosan, all known to have some biological activity. The gas-phase acidity measurements made for these small molecules had the solvent and collisional gas pressures adjusted in order to observe their potential influences. The results obtained provide insight into the ion chemistry of these molecules and how the energetics may change the observed behavior of the ion as well as the resulting thermochemical properties measured. The oligopeptides studied were a family of tri-peptides in which a cysteine probe was placed within an alanine backbone. The cysteine probe was either in the L- or D- configuration in order to detect any fundamental differences among the diastereotopic peptides. Compared to the L-cysteine isomers, the D-cysteine peptides appear to display a change in gas-phase behavior and their respective dissociation profiles. These changes may have an implication of altering the biochemical properties when chirality changes in biological systems.

Pages

180

ISBN

9781369134865

Recommended Citation

Buen, Zachary. (2016). Establishment of gas-phase thermochemical values of various small organic compounds and oligopeptides. University of the Pacific, Thesis - Pacific Access Restricted. https://scholarlycommons.pacific.edu/uop_etds/262

Creative Commons License

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