Chemometric analysis of Chinese red wines using stir bar sorptive extraction combined with GC–MS analysis

  • Ke Tang
  • Jianning Hu
  • Wenlai FanEmail author
  • Yan Xu
  • Ji-Ming Li
Original Paper


The aim of this work was to compare EG–Silicone and PDMS polymeric phases based on stir bar sorptive extraction method for the analysis of volatile compounds in Chinese red wines. The impact of vintages, regions and grape varieties on volatile compounds was also evaluated, and chemometric analyses were applied to achieve a possible differentiation of the wines. The results demonstrated that EG–Silicone Twister high correlation coefficients and low standard deviations were obtained for 58 major volatile compounds of wine by use of EG–silicon. Significant differences in the levels of certain volatiles were observed according to cultivars, vintages and geographical origins through analysis of variance. A satisfactory linear discriminant analysis resulted for red wines on the basis of cultivars, vintages and geographical origins was observed, in which the correct classification was 100% and the leave-one-out validation accuracy was 96.3%.


Chinese red wines Stir bar sorptive extraction EG–Silicone Twister Volatile compounds Chemometric analysis 



This work was supported by National Key R&D Program (2016YFD0400504), and National First-class Discipline Program of Light Industry Technology and Engineering (LITE2018-012). All wine samples were provided by ChangYu Winery.

Compliance ethical standards

Conflict of interest

The authors declare no conflict of interest.

Compliance with ethics requirements

This article does not contain any studies with human or animal subjects.


  1. 1.
    Kotseridis Y, Baumes R (2000) Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine. J Agric Food Chem 48:400–406CrossRefGoogle Scholar
  2. 2.
    Isabel Spranger M, Cristina Climaco M, Sun B et al (2004) Differentiation of red winemaking technologies by phenolic and volatile composition. Anal Chim Acta 513:151–161CrossRefGoogle Scholar
  3. 3.
    Bavčar D, Baša Česnik H, Čuš F, Košmerl T (2011) The influence of skin contact during alcoholic fermentation on the aroma composition of Ribolla Gialla and Malvasia Istriana Vitis vinifera (L.) grape wines. Int J Food Sci Tech 46:1801–1808CrossRefGoogle Scholar
  4. 4.
    Guth H (1997) Identification of character impact odorants of different white wine varieties. J Agric Food Chem 45:3022–3026CrossRefGoogle Scholar
  5. 5.
    Schreier P, Jennings WG (1979) Flavor composition of wines: a review. Crit Rev Food Sci 12:59–111CrossRefGoogle Scholar
  6. 6.
    Fan WL, Xu Y, Jiang WG, Li JM (2010) Identification and quantification of impact aroma compounds in 4 nonfloral Vitis vinifera varieties grapes. J Food Sci 75:81–88CrossRefGoogle Scholar
  7. 7.
    Baltussen E, Sandra P, David F, Cramers C (1999) Stir bar sorptive extraction (SBSE), a novel extraction technique for aqueous samples: theory and principles. J Microcolumn 11:737–747CrossRefGoogle Scholar
  8. 8.
    Hjelmeland AK, Wylie PL, Ebeler SE (2016) A comparison of sorptive extraction techniques coupled to a new quantitative, sensitive, high throughput GC-MS/MS method for methoxypyrazine analysis in wine. Talanta 148:336–345CrossRefGoogle Scholar
  9. 9.
    Ubeda C, Callejón RM, Troncoso AM, Peña-Neira A, Morales ML (2016) Volatile profile characterisation of Chilean sparkling wines produced by traditional and Charmat methods via sequential stir bar sorptive extraction. Food Chem 207:261–271CrossRefGoogle Scholar
  10. 10.
    Wen Y, Ontañon I, Ferreira V, Lopez R (2018) Determination of ppq-levels of alkylmethoxypyrazines in wine by stirbar sorptive extraction combined with multidimensional gas chromatography-mass spectrometry. Food Chem 255:235–241CrossRefGoogle Scholar
  11. 11.
    Hayasaka Y, MacNamara K, Baldock GA (2003) Taylor RL & Pollnitz AP, Application of stir bar sorptive extraction for wine analysis. Anal Bioanal Chem 375:948–955CrossRefGoogle Scholar
  12. 12.
    Bicchi C, Cordero C, Liberto E et al (2005) Impact of phase ratio, polydimethylsiloxane volume and size, and sampling temperature and time on headspace sorptive extraction recovery of some volatile compounds in the essential oil field. J Chromatogr A 1071:111–118CrossRefGoogle Scholar
  13. 13.
    Nie Y, Kleine-Benne E (2011) Using three types of twister phases for stir bar sorptive extraction of whisky, wine and fruit juice. Gerstel Application Note 3/2011Google Scholar
  14. 14.
    Tang K, Ma L, Han YH et al (2015) Comparison and chemometric analysis of the phenolic compounds and organic acids composition of Chinese wines. J Food Sci 80:20–28CrossRefGoogle Scholar
  15. 15.
    Tredoux A, de Villiers A, Maaek P et al (2008) Stir bar sorptive extraction combined with GC-MS analysis and chemometric methods for the classification of South African wines according to the volatile composition. J Agric Food Chem 56:4286–4296CrossRefGoogle Scholar
  16. 16.
    De Villiers A, Majek P, Lynen F et al (2005) Classification of South African red and white wines according to grape variety based on the non-coloured phenolic content. Eur Food Res Technol 221:520–528CrossRefGoogle Scholar
  17. 17.
    Gilard N, Marcé RM, Borrull F, Fontanals N (2014) New coating for stir-bar sorptive extraction of polar emerging organic contaminants. Trend Anal Chem 54:11–23CrossRefGoogle Scholar
  18. 18.
    Swiegers JH, Pretorius IS (2005) Yeast modulation of wine flavor. Adv Appl Microbiol 57:131–175CrossRefGoogle Scholar
  19. 19.
    Fowles G (1992) Acids in grapes and wines: a review. J Wine Res 3:25–41CrossRefGoogle Scholar
  20. 20.
    Swiegers JH, Bartowsky EJ, Henschke PA, Pretorius IS (2005) Yeast and bacterial modulation of wine aroma and flavour. Aust J Grape Wine R 11:139–173CrossRefGoogle Scholar
  21. 21.
    Giudici P, Romano P, Zambonelli C (1990) A biometric study of higher alcohol production in Saccharomyces cerevisiae. Can J Microbiol 36:61–64CrossRefGoogle Scholar
  22. 22.
    Fleet G, Heard G (1993) Yeasts—growth during fermentation. In: Academic Harwood (ed) Wine microbiology and biotechnology. Publishers, Chur, pp 27–54Google Scholar
  23. 23.
    Tominaga T, Furrer A, Henry R, Dubourdieu D (1998) Identification of new volatile thiols in the aroma of Vitis vinifera L. var. Sauvignon blanc wines. Flavour Frag J 13:159–162CrossRefGoogle Scholar
  24. 24.
    Rojas V, Gil JV, Pinaga F, Manzanares P (2003) Acetate ester formation in wine by mixed cultures in laboratory fermentations. Int J Food Microbiol 86:181–188CrossRefGoogle Scholar
  25. 25.
    Romano P, Fiore C, Paraggio M et al (2003) Function of yeast species and strains in wine flavour. Int J Food Microbiol 86:169–180CrossRefGoogle Scholar
  26. 26.
    Mendes-Pinto MM (2009) Carotenoid breakdown products the—norisoprenoids—in wine aroma. Arch Biochem Biophys 483:236–245CrossRefGoogle Scholar
  27. 27.
    Gunata YZ, Bayonove C, Baumes RL, Cordonnier RE (2006) The aroma of grapes. Localisation and evolution of free and bound fractions of some grape aroma components cv Muscat during first development and maturation. J Sci Food Agric 36:857–862CrossRefGoogle Scholar
  28. 28.
    Chatonnet P, Viala C, Dubourdieu D (1997) Influence of polyphenolic components of red wines on the microbial synthesis of volatile phenols. Am J Enol Viticult 48:463–468Google Scholar
  29. 29.
    Fang Y, Qian MC (2006) Quantification of selected aroma-active compounds in pinot noir wines from different grape maturities. J Agric Food Chem 54:8567–8573CrossRefGoogle Scholar
  30. 30.
    Campo E, Ferreira V, Escudero A, Cacho J (2006) Quantitative gas chromatography olfactometry and chemical quantitative study of the aroma of four Madeira wines. Anal Chim Acta 563:180–187CrossRefGoogle Scholar
  31. 31.
    Ferreira V, Ortin N, Escudero A, Cacho J (2002) Chemical characterization of the aroma of Grenache rose wines: aroma extract dilution analysis, quantitative determination, and sensory reconstitution studies. J Agric Food Chem 50:4048–4054CrossRefGoogle Scholar
  32. 32.
    Frank S, Wollmann N, Schieberle P, Hofmann T (2011) Reconstitution of the flavor signature of Dornfelder red wine on the basis of the natural concentrations of its key aroma and taste compounds. J Agric Food Chem 59:8866–8874CrossRefGoogle Scholar
  33. 33.
    Fang Y, Qian M (2005) Aroma compounds in Oregon Pinot Noir wine determined by aroma extract dilution analysis (AEDA). Flavour Frag J 20:22–29CrossRefGoogle Scholar
  34. 34.
    Elliott S, Burgess V (2005) The presence of gamma-hydroxybutyric acid (GHB) and gamma-butyrolactone (GBL) in alcoholic and non-alcoholic beverages. Forensic Sci Int 151:289–292CrossRefGoogle Scholar
  35. 35.
    Winterhalter P, Schreier P (1994) C13-Norisoprenoid glycosides in plant tissues: an overview on their occurrence, composition and role as flavour precursors. Flavour Frag J 9:281–287CrossRefGoogle Scholar

Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2019

Authors and Affiliations

  1. 1.Key Laboratory of Industrial Biotechnology of Ministry of EducationJiangnan UniversityWuxiPeople’s Republic of China
  2. 2.State Key Laboratory of Food Science and TechnologyJiangnan UniversityWuxiPeople’s Republic of China
  3. 3.Center of Science and Technology, ChangYu Group Company Ltd.YantaiPeople’s Republic of China

Personalised recommendations