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Structure and Dynamics of Biolmolecules in the Gas Phase Using Vibrationally and Rotationally Resolved Electronic Spectroscopy

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 (Unpublished)

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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.


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Item Type: University of Pittsburgh ETD
Status: Unpublished
CreatorsEmailPitt UsernameORCID
Thomas, Jessica Annejat44@pitt.eduJAT44
ETD Committee:
TitleMemberEmail AddressPitt UsernameORCID
Committee ChairPratt, David Wpratt@pitt.eduPRATT
Committee MemberChong, Lillianltchong@pitt.eduLTCHONG
Committee MemberMons,
Committee MemberSaxena, Sunilsksaxena@pitt.eduSKSAXENA
Date: 30 June 2011
Date Type: Completion
Defense Date: 1 April 2011
Approval Date: 30 June 2011
Submission Date: 17 April 2011
Access Restriction: No restriction; Release the ETD for access worldwide immediately.
Institution: University of Pittsburgh
Schools and Programs: Dietrich School of Arts and Sciences > Chemistry
Degree: PhD - Doctor of Philosophy
Thesis Type: Doctoral Dissertation
Refereed: Yes
Uncontrolled Keywords: high resolution; serine; Stark effect; tryptophan; tyrosine
Other ID:, etd-04172011-105721
Date Deposited: 10 Nov 2011 19:38
Last Modified: 15 Nov 2016 13:40


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