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Title: Determination of Rhealogical Properties from Vibrational Spectra Using Chemometric Two- Dimensional Analysis

Author
item Himmelsbach, David
item Barton Ii, Franklin

Submitted to: International Conference on Vibrational Spectroscopy
Publication Type: Abstract Only
Publication Acceptance Date: 3/1/2007
Publication Date: 6/6/2007
Citation: Himmelsbach, D.S., Barton Ii, F.E. 2007. Determination of Rhealogical Properties from Vibrational Spectra Using Chemometric Two- Dimensional Analysis. 4th International Conference on Vibrational Spectroscopy 10-15 June, 2007, Corfu, Greece.

Interpretive Summary:

Technical Abstract: The ability to predict viscoelastic properties from vibrational spectra of grain flours was investigated. Both dispersive near-infrared (NIR) and Fourier-transform Raman (FT-Raman) spectra were used to generate two-dimensional matrix maps versus Rapid Visco Analyzer (RVA) generated viscograms. After calibration with partial least squares analysis type-2 (PLS2), models produced were used to predict entire viscograms and thus viscoelastic parameters. Since these spectroscopies are already employed in a one-dimensional sense to predict the chemical composition of samples, the additional capability of predicting rheological properties can eliminate the need to maintain both spectrometers and viscometers for the analysis of materials such as flours. Moreover, this reveals that the chemical composition of materials as measured by their vibrational spectra can be used to predict physical phenomena.