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Physical Sciences and Mathematics Commons

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Theses/Dissertations

William & Mary

Analytical Chemistry

2018

Articles 1 - 2 of 2

Full-Text Articles in Physical Sciences and Mathematics

Computational Investigations Of The Structure And Spectroscopy Of Small Biomolecules In The Gas Phase, Zachary Michael Smith Jul 2018

Computational Investigations Of The Structure And Spectroscopy Of Small Biomolecules In The Gas Phase, Zachary Michael Smith

Dissertations, Theses, and Masters Projects

Small biomolecule systems were interrogated using infrared multiple photon dissociation (IRMPD) action spectroscopy and corresponding quantum chemical calculations with a particular focus on peptide fragmentation and protonation site preference. b2+ and b3+ fragment ions with a terminal lysine homolog residue were investigated using IRMPD in the fingerprint region (1000 cm-1 – 2000 cm-1) and a variety of computational methods. We present the first spectroscopic confirmation of b-ion formation with a lactam structure. Infrared spectra for b2+ fragment system indicate the presence of a mixture of structures, though final determination will require further investigation. The b3+ fragment ion infrared spectra show …


Monitoring Infection Of E. Coli By Bacteriophage T7 Through Mass Spectrometry-Based Proteomics, Amy Swayne Schienschang Jan 2018

Monitoring Infection Of E. Coli By Bacteriophage T7 Through Mass Spectrometry-Based Proteomics, Amy Swayne Schienschang

Dissertations, Theses, and Masters Projects

Mass spectrometry-based proteomics has become an important and versatile tool in analytical chemistry, making sense of complex biological samples and shedding light on the intricate proteomes of living organisms. Bottom-up proteomics studies are used to elucidate the changes in gene expression of bacteriophage T7 over the course of infection of Escherichia coli. E. coli cultures were infected with T7, sampled over time, and proteins were isolated and enzymatically digested. Nanoflow liquid chromatography combined with tandem mass spectrometry was used to detect proteolytic peptides and identify host and phage proteins. Generally, phage proteins were detected on a time scale fitting the …