Distinguishing Monosaccharide Stereo- and Structural Isomers with ToF-SIMS and Multivariate Statistical Analysis

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Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) is utilized to examine the mass spectra and fragmentation patterns of seven isomeric monosaccharides. Multivariate statistical analysis techniques, including principal component analysis (PCA), allow discrimination of the extremely similar mass spectra of stereoisomers. Furthermore, PCA identifies those fragment peaks which vary significantly between spectra. Heavy isotope studies confirm that these peaks are indeed sugar fragments, allow identification of the fragments, and provide clues to the fragmentation pathways. Excellent reproducibility is shown by multiple experiments performed over time and on separate samples. This study demonstrates the combined selectivity and discrimination power of ToF-SIMS and PCA, ... continued below

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Berman, E F; Kulp, K S; Knize, M G; Wu, L; Nelson, E J; Nelson, D O et al. May 4, 2006.

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Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) is utilized to examine the mass spectra and fragmentation patterns of seven isomeric monosaccharides. Multivariate statistical analysis techniques, including principal component analysis (PCA), allow discrimination of the extremely similar mass spectra of stereoisomers. Furthermore, PCA identifies those fragment peaks which vary significantly between spectra. Heavy isotope studies confirm that these peaks are indeed sugar fragments, allow identification of the fragments, and provide clues to the fragmentation pathways. Excellent reproducibility is shown by multiple experiments performed over time and on separate samples. This study demonstrates the combined selectivity and discrimination power of ToF-SIMS and PCA, and suggests new applications of the technique including differentiation of subtle chemical changes in biological samples that may provide insights into cellular processes, disease progress, and disease diagnosis.

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PDF-file: 20 pages; size: 0.3 Mbytes

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  • Journal Name: Analytical Chemistry, vol. 78, no. 18, September 15, 2006, pp. 6497-6503

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  • Report No.: UCRL-JRNL-221140
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 893575
  • Archival Resource Key: ark:/67531/metadc876419

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  • May 4, 2006

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  • Sept. 21, 2016, 2:29 a.m.

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  • Dec. 5, 2016, 2:21 p.m.

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Berman, E F; Kulp, K S; Knize, M G; Wu, L; Nelson, E J; Nelson, D O et al. Distinguishing Monosaccharide Stereo- and Structural Isomers with ToF-SIMS and Multivariate Statistical Analysis, article, May 4, 2006; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc876419/: accessed December 14, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.