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Virtual Journal for Biomedical Optics

Virtual Journal for Biomedical Optics

| EXPLORING THE INTERFACE OF LIGHT AND BIOMEDICINE

  • Editor: Gregory W. Faris
  • Vol. 3, Iss. 12 — Dec. 1, 2008

Multivariate Analysis of Attenuated Total Reflection–Fourier Transform Infrared Spectroscopic Data to Confirm the Origin of Honeys

Siobhán Hennessy, Gerard Downey, and Colm O'Donnell

Applied Spectroscopy, Vol. 62, Issue 10, pp. 1115-1123 (2008)


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Abstract

Fourier transform infrared (FT-IR) spectroscopy and chemometrics were used to verify the origin of honey samples (n = 150) from Europe and South America. Authentic honey samples were collected from five sources, namely unfiltered samples from Mexico in 2004, commercially filtered samples from Ireland and Argentina in 2004, commercially filtered samples from the Czech Republic in 2005 and 2006, and commercially filtered samples from Hungary in 2006. Samples were diluted with distilled water to a standard solids content (70° Brix) and their spectra (2500–12 500 nm) recorded at room temperature using an FT-IR spectrometer equipped with a germanium attenuated total reflection (ATR) accessory. First- and second-derivative and standard normal variate (SNV) data pretreatments were applied to the recorded spectra, which were analyzed using partial least squares (PLS) regression analysis, factorial discriminant analysis (FDA), and soft independent modeling of class analogy (SIMCA). In general, when an attenuated wavelength range (6800–11 500 nm) rather than the whole spectrum (2500–12 500 nm) was studied, higher correct classification rates were achieved. An overall correct classification of 93.3% was obtained for honeys by PLS discriminant analysis, while FDA techniques correctly classified 94.7% of honey samples. Correct classifications of up to 100% were achieved using SIMCA, but models describing some classes had very high false positive rates.

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Vol. 3, Iss. 12 Virtual Journal for Biomedical Optics

Citation
Siobhán Hennessy, Gerard Downey, and Colm O'Donnell, "Multivariate Analysis of Attenuated Total Reflection–Fourier Transform Infrared Spectroscopic Data to Confirm the Origin of Honeys," Appl. Spectrosc. 62, 1115-1123 (2008)
http://www.opticsinfobase.org/vjbo/abstract.cfm?URI=as-62-10-1115

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