eprintid: 7268
rev_number: 5
userid: 6
dir: disk0/00/00/72/68
datestamp: 2011-11-10 19:38:15
lastmod: 2016-11-15 13:40:47
status_changed: 2011-11-10 19:38:15
type: thesis_degree
metadata_visibility: show
contact_email: jat44@pitt.edu
item_issues_count: 0
eprint_status: archive
creators_name: Thomas, Jessica Anne
creators_email: jat44@pitt.edu
creators_id: JAT44
title: Structure and Dynamics of Biolmolecules in the Gas Phase Using Vibrationally and Rotationally Resolved Electronic Spectroscopy
ispublished: unpub
divisions: sch_as_chemistry
full_text_status: public
keywords: high resolution; serine; Stark effect; tryptophan; tyrosine
abstract: Rotationally resolved electronic spectroscopy is used to determine the rotational constants of small aromatic molecules. These rotational constants, when compared to calculated low energy structures, provide a precise description of the structure of the molecule. In addition, by comparing rotational constants for the structure in the ground and excited electronic states, as well as those associated with various vibronic transitions, an understanding of the dynamics of the molecule can be obtained. In this work, molecules containing double rings, including 1,3-benzodioxole, coumaran, and 1-phenylpyrrole, were studied using rotationally resolved electronic spectroscopy to determine their structures, low frequency vibrational motions, and changes in electronic distribution upon electronic excitation. Laser ablation, a technique used to produce gas phase samples of moderately sized biomolecules with significantly less decomposition than with thermal vaporization, was used to obtain gas phase samples of short peptide sequences. These molecules were studied using a IR/UV double resonance technique which enabled the collection of IR spectra with resolved transitions in the amide A and OH stretch regions. Specifically, several short sequences found in a folding nucleus of β-lactoglobulin were compared to calculated structures in order to identify intramolecular interactions that stabilize the structures.
date: 2011-06-30
date_type: completed
institution: University of Pittsburgh
refereed: TRUE
etdcommittee_type: committee_chair
etdcommittee_type: committee_member
etdcommittee_type: committee_member
etdcommittee_type: committee_member
etdcommittee_name: Pratt, David W
etdcommittee_name: Chong, Lillian
etdcommittee_name: Mons, Michel
etdcommittee_name: Saxena, Sunil
etdcommittee_email: pratt@pitt.edu
etdcommittee_email: ltchong@pitt.edu
etdcommittee_email: michel.mons@cea.fr
etdcommittee_email: sksaxena@pitt.edu
etdcommittee_id: PRATT
etdcommittee_id: LTCHONG
etdcommittee_id: 
etdcommittee_id: SKSAXENA
etd_defense_date: 2011-04-01
etd_approval_date: 2011-06-30
etd_submission_date: 2011-04-17
etd_access_restriction: immediate
etd_patent_pending: FALSE
assigned_doi: doi:10.5195/pitt.etd.2011.7268
thesis_type: dissertation
degree: PhD
committee: David W. Pratt (pratt@pitt.edu) - Committee Chair
committee: Lillian Chong (ltchong@pitt.edu) - Committee Member
committee: Michel Mons (michel.mons@cea.fr) - Committee Member
committee: Sunil Saxena (sksaxena@pitt.edu) - Committee Member
etdurn: etd-04172011-105721
other_id: http://etd.library.pitt.edu/ETD/available/etd-04172011-105721/
other_id: etd-04172011-105721
citation:   Thomas, Jessica Anne  (2011) Structure and Dynamics of Biolmolecules in the Gas Phase Using Vibrationally and Rotationally Resolved Electronic Spectroscopy.  Doctoral Dissertation, University of Pittsburgh.    (Unpublished)  
document_url: http://d-scholarship-dev.library.pitt.edu/7268/1/ThomasJA_etdPitt2011.pdf