ARS | Publication request: USE OF TWO-DIMENSIONAL VIBRATIONAL CORRELATION WITH NEAR-INFRARED AND RAMAN SPECTROSCOPY TO STUDY AGRICULTURAL PROBLEMS

Submitted to: Federation of Analytical Chemistry and Spectroscopy Societies Final Program
Publication Type: Abstract Only
Publication Acceptance Date: July 30, 2004
Publication Date: November 3, 2004
Citation: Himmelsbach, D.S., Barton II, F.E., De Haseth, J.A. 2004. Use of two-dimensional vibrational correlation with near-infrared and Raman spectroscopy to study agricultural problems [abstract]. Federation Of Analytical Chemistry And Spectroscopy Societies (FACSS) 31st Annual Meeting. Paper No. 99. p. 89.

Technical Abstract: Since its inception over a decade ago, two-dimensional “vibrational” spectroscopy (2DCOS) has been applied to a myriad of problems. Both the least squares [1] and the generalized correlation [2] based approaches to 2DCOS have been applied to agricultural problems. The least squared based approach has been most useful in hetero-correlation, between different spectral regions, and in detecting relatively weak correlations. The generalized 2-D correlation (G2DCOS) is more suitable for homo-correlations, within a given spectral region upon itself, and assessing dynamic systems with fairly dramatic changes. The use of these approaches together can be synergistic. The two approaches have now been combined and made accessible within one computer program. Both approaches have been used in hetero-correlation of mid-infrared (MIR) to near-infrared (NIR) regions to reveal the probable nature of overtone and combination bands in NIR spectra. Homo-correlation within the Raman region was utilized to overcome hidden effects due to overlapping bands in starch components that are unobservable with the use of one-dimensional spectra. The results obtained permitted the interpretation of chemometric results in the prediction of viscoelastic properties.