Theses and Dissertations
Issuing Body
Mississippi State University
Advisor
Patrick, Amanda
Committee Member
Wipf, David O.
Committee Member
Mlsna, Todd E.
Date of Degree
11-25-2020
Original embargo terms
Complete embargo for 2 years
Document Type
Graduate Thesis - Open Access
Major
Chemistry
Degree Name
Master of Science
College
College of Arts and Sciences
Department
Department of Chemistry
Abstract
Mass spectrometry has frequently been employed in the analysis of biologically relevant molecules; however, mass spectrometry alone may not always be sufficient for the differentiation and characterization of isomeric and isobaric ions. In this work, infrared multiple photon dissociation (IRMPD) spectroscopy and ion mobility spectrometry (IMS) were evaluated as complementary techniques for the characterization and separation of isomeric and isobaric ions of biological relevance. In the first project, analysis of experimental IRMPD spectroscopy data shows that this technique is useful in the differentiation of hydroxyproline isomers. Absorption bands allow for the differentiation of three isomeric species: 1640 cm-1 (trans-4-hydroxyproline), 1718 cm-1 (cis-4-hydroxyproline), and 1734 cm-1 (cis-3-hydroxyproline). In the second project, theoretical CCS and IR spectroscopy predictions of isobaric modified amino acids and isomeric drugs have been carried out as predictions of IMS and IRMPD spectroscopy suitability. Preliminary IMS measurements suggest that the CCS predictions are at least qualitatively useful.
URI
https://hdl.handle.net/11668/20848
Recommended Citation
Acharya, Baku, "Toward improved characterization of biologically relevant isomeric and isobaric ions on mass spectrometry-based platforms" (2020). Theses and Dissertations. 4753.
https://scholarsjunction.msstate.edu/td/4753