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dc.contributor.advisorJiJi, Renée Deniseeng
dc.contributor.authorSimpson, John, 1982-eng
dc.date.issued2009eng
dc.date.submitted2009 Falleng
dc.descriptionTitle from PDF of title page (University of Missouri--Columbia, viewed on Feb 24, 2010).eng
dc.descriptionThe entire thesis text is included in the research.pdf file; the official abstract appears in the short.pdf file; a non-technical public abstract appears in the public.pdf file.eng
dc.descriptionDissertation advisor: Dr. Renee Jiji.eng
dc.descriptionPh. D. University of Missouri--Columbia 2009.eng
dc.description.abstract[ACCESS RESTRICTED TO THE UNIVERSITY OF MISSOURI AT REQUEST OF AUTHOR.] Ultra violet resonance Raman (UVRR) is a powerful spectroscopic technique for determining the secondary structural content of proteins in solution. However, the analyses of UVRR spectra can be problematic due to the difficulty of determining the pure secondary structure Raman spectra. The use of multi-excitation datasets can help to alleviate the difficulty in determining the pure secondary structure Raman spectra, but due to increasing spectral resolution as excitation wavelength increases, multi-excitation datasets are notoriously difficult to align spectral features. In addition, the subtraction of the water band can be difficult when relying on an internal intensity standard. To address these difficulties we demonstrate the use of a series of chemometric methods. To determine the pure secondary structure Raman spectra, we demonstrate the use of multivariate curve resolution using the alternating least squares algorithm (MCRALS) with a multi-excitation data set. To alleviate mis-alignment in multi-excitation data, we demonstrate the use of correlation optimized warping (COW). We also propose a new water band subtraction method which will reliably determine the water band concentration and remove it, without an over subtraction. Finally, we demonstrate the use of parallel factor analysis (PARAFAC) for the characterization of the behavior of the flavonoid quercetin in solution with the protein bovine serum albumin.eng
dc.description.bibrefIncludes bibliographical references.eng
dc.format.extentx, 101 pageseng
dc.identifier.oclc606905354eng
dc.identifier.urihttps://doi.org/10.32469/10355/6873eng
dc.identifier.urihttps://hdl.handle.net/10355/6873
dc.languageEnglisheng
dc.publisherUniversity of Missouri--Columbiaeng
dc.relation.ispartofcommunityUniversity of Missouri--Columbia. Graduate School. Theses and Dissertationseng
dc.rightsAccess is limited to the campuses of the University of Missouri.eng
dc.subjectUltra violet resonance Ramaneng
dc.subject.lcshRaman effect, Resonanceeng
dc.subject.lcshUltraviolet spectrometryeng
dc.subject.lcshChemometricseng
dc.titleDevelopment of advanced chemometric methods for the analysis of deep-UV resonance Raman spectra of proteinseng
dc.typeThesiseng
thesis.degree.disciplineChemistry (MU)eng
thesis.degree.grantorUniversity of Missouri--Columbiaeng
thesis.degree.levelDoctoraleng
thesis.degree.namePh. D.eng


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