Analytical and Bioanalytical Chemistry

, Volume 390, Issue 7, pp 1911–1916 | Cite as

Near infrared spectroscopy as a rapid tool to measure volatile aroma compounds in Riesling wine: possibilities and limits

  • H. E. Smyth
  • D. Cozzolino
  • W. U. Cynkar
  • R. G. Dambergs
  • M. Sefton
  • M. Gishen
Original Paper


Volatile chemical compounds responsible for the aroma of wine are derived from a number of different biochemical and chemical pathways. These chemical compounds are formed during grape berry metabolism, crushing of the berries, fermentation processes (i.e. yeast and malolactic bacteria) and also from the ageing and storage of wine. Not surprisingly, there are a large number of chemical classes of compounds found in wine which are present at varying concentrations (ng L−1 to mg L−1), exhibit differing potencies, and have a broad range of volatilities and boiling points. The aim of this work was to investigate the potential use of near infrared (NIR) spectroscopy combined with chemometrics as a rapid and low-cost technique to measure volatile compounds in Riesling wines. Samples of commercial Riesling wine were analyzed using an NIR instrument and volatile compounds by gas chromatography (GC) coupled with selected ion monitoring mass spectrometry. Correlation between the NIR and GC data were developed using partial least-squares (PLS) regression with full cross validation (leave one out). Coefficients of determination in cross validation (R 2) and the standard error in cross validation (SECV) were 0.74 (SECV: 313.6 μg L−1) for esters, 0.90 (SECV: 20.9 μg L−1) for monoterpenes and 0.80 (SECV: 1658 μg L−1) for short-chain fatty acids. This study has shown that volatile chemical compounds present in wine can be measured by NIR spectroscopy. Further development with larger data sets will be required to test the predictive ability of the NIR calibration models developed.


Volatile chemical compounds Wines Partial least squares Near infrared Riesling 



This project is supported by Australia’s grapegrowers and winemakers through their investment body the Grape and Wine Research and Development Corporation, with matching funds from the Australian government, and by the Commonwealth Cooperative Research Centres Program. The work was conducted by The Australian Wine Research Institute, and formed part of the research portfolio of the Cooperative Research Centre for Viticulture.


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Copyright information

© Springer-Verlag 2008

Authors and Affiliations

  • H. E. Smyth
    • 1
    • 3
  • D. Cozzolino
    • 2
  • W. U. Cynkar
    • 2
  • R. G. Dambergs
    • 2
  • M. Sefton
    • 2
  • M. Gishen
    • 2
    • 4
  1. 1.School of Agriculture and Wine, Faculty of SciencesThe University of AdelaideGlen OsmondAustralia
  2. 2.The Australian Wine Research InstituteGlen OsmondAustralia
  3. 3.Department of Primary Industries and FisheriesInnovative Food TechnologiesHamiltonAustralia
  4. 4.Gishen ConsultingHahndorfAustralia

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