Structural Characterization of Biomolecules Using Tandem Non- Linear and Linear Ion Mobility, Action Spectroscopy, Mass Spectrometry and Molecular Dynamics
Doctor of Philosophy (PhD)
First Advisor's Name
Francisco Fernandez Lima
First Advisor's Committee Title
Second Advisor's Name
Second Advisor's Committee Title
Third Advisor's Name
Third Advisor's Committee Title
Fourth Advisor's Name
Fourth Advisor's Committee Title
Fifth Advisor's Name
Fifth Advisor's Committee Title
Ion mobility spectrometry, mass spectrometry, molecular modeling, analytical chemistry, infrared multiphon dissociation, FT-ICR MS, TIMS-MS
Date of Defense
The following thesis comprises the use of novel gas-phase spectroscopic and spectrometric techniques complemented with molecular dynamics for the structural characterization of biomolecules: from small model systems to large proteins. In particular, complementary linear and non-linear ion mobility, mass spectrometry and action spectroscopy has been applied to the separation and characterization of native and kinetic intermediate states of biomolecular ions. This suite of tools, comprising ion mobility in tandem with non-ergodic fragmentation and action spectroscopy, provided unique information on the conformational space, folding and binding dynamics of single stranded DNA, peptides, peptide-cofactor and protein systems. Theoretical modeling provided candidate structures filtered by measurements of molecular ion-neutral collision cross section, fragmentation patterns and infrared spectroscopy data. In addition, this work covers the development of higher power analytical separations with increased peak capacity, reduced chemical noise and reduced analysis time for the characterization of complex biological mixtures (e.g., cell digests).
Previously Published In
Chapter 2: Benigni, P, Porter, J, Ridgeway, ME, Park, MA, Fernandez-Lima, F. Increasing Analytical Separation and Duty Cycle with Nonlinear Analytical Mobility Scan Functions in TIMS-FT-ICR MS. Anal Chem. 2018; 90 (4): 2446-2450
Chapter 3: Porter, JE, Chapagain, P, Fernandez‐Lima, F. Single‐stranded DNA structural diversity: TAGGGT from monomers to dimers to tetramer formation. Rapid Commun Mass Spectrom. 2019; 33( S2): 60– 65.
Porter, Jacob Edward, "Structural Characterization of Biomolecules Using Tandem Non- Linear and Linear Ion Mobility, Action Spectroscopy, Mass Spectrometry and Molecular Dynamics" (2020). FIU Electronic Theses and Dissertations. 4522.
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