Food Analytical Methods

, Volume 9, Issue 8, pp 2194–2199 | Cite as

Determination of Three Alcohols in Chinese Dukang Base Liquor by FT-NIR Spectroscopy

  • Sihai HanEmail author
  • Weiwei Zhang
  • Xuan Li
  • Peiyan Li
  • Jianxue LiuEmail author


Alcohols are important aroma compounds in Chinese liquors. In this work, 3-methyl-1-butanol, 1-butanol, and 1-propanol in Dukang base liquor were simultaneously analyzed by gas chromatography (GC) and fourier-transform near-infrared (FT-NIR) spectroscopy. The optimal combinations of spectral intervals for three alcohols were selected for modeling. The calibration models, which are based on FT-NIR spectral variables and the chemical values, were established with partial least square (PLS) and validated using internal cross validation. In calibration set, the coefficients of determination (R 2) for 1-propanol, 1-butanol, and 3-methyl-1-butanol were 95.21, 98.05, and 98.05, respectively; corresponding root mean square errors of calibration (RMSEC) were 0.27, 0.49, and 0.67 mg per 100 mL. In validation set, the R 2 were 94.72, 97.96, and 95.22; the root mean square errors of prediction (RMSEP) were 0.40, 0.81, and 1.35 mg per 100 mL. The results indicated that the correlation between the values determined by GC and the values estimated by the calibration for the three alcohols was excellent. The FT-NIR spectroscopy calibration models, which with good prediction performance and high precision, could be used as a rapid methods for determination of alcohols in Chinese liquor.


Chinese liquor Alcohols Fourier-transform near-infrared (FT-NIR) Partial least squares 


Compliance with Ethical Standards

This article does not contain any studies with human participants or animals performed by any of the authors.


This study was funded by the National Natural Science Foundation of China (Grant No. 31471658) and the Doctoral Research Fund of Henan University of Science and Technology (Grant No. 09001701).

Conflict of Interest

Sihai Han declares that he has no conflict of interest. Weiwei Zhang declares that she has no conflict of interest. Xuan Li declares that she has no conflict of interest. Peiyan Li declares that she has no conflict of interest. Jianxue Liu declares that he has no conflict of interest.

Informed Consent

Not applicable.


  1. Bedini A, Zanolli V, Zanardi S, Bersellini U, Dalcanale E, Suman M (2013) Rapid and simultaneous analysis of xanthines and polyphenols as bitter taste markers in bakery products by FT-NIR spectroscopy. Food Anal Methods 6:17–27CrossRefGoogle Scholar
  2. Buratti S, Ballabio D, Giovanelli G, Dominguez CMZ, Moles A, Benedetti S, Sinelli N (2011) Monitoring of alcoholic fermentation using near infrared and mid infrared spectroscopies combined with electronic nose and electronic tongue. Anal Chim Acta 697:67–74CrossRefGoogle Scholar
  3. Camps C, Gérard M, Quennoz M, Brabant C, Oberson C, Simonnet X (2014) Prediction of essential oil content of oregano by hand-held and Fourier transform NIR spectroscopy. J Sci Food Agric 94:1397–1402CrossRefGoogle Scholar
  4. Chen H, Tan C, Wu T, Wang L, Zhu W (2014) Discrimination between authentic and adulterated liquors by near-infrared spectroscopy and ensemble classification. Spectrochim Acta A 130:245–249CrossRefGoogle Scholar
  5. Cheng P, Fan W, Xu Y (2014) Determination of Chinese liquors from different geographic origins by combination of mass spectrometry and chemometric technique. Food Control 35:153–158CrossRefGoogle Scholar
  6. Cozzolino D, Kwiatkowski MJ, Dambergs RG, Cynkar WU, Janik LJ, Skouroumounis G, Gishen M (2008) Analysis of elements in wine using near infrared spectroscopy and partial least squares regression. Talanta 74:711–716CrossRefGoogle Scholar
  7. Egidio VD, Sinelli N, Giovanelli G, Moles A, Casiraghi E (2010) NIR and MIR spectroscopy as rapid methods to monitor red wine fermentation. Eur Food Res Technol 230:947–955CrossRefGoogle Scholar
  8. Fan W, Shen H, Xu Y (2011) Quantification of volatile compounds in Chinese Soy sauce aroma type liquor by stir bar sorptive extraction and gas chromatography–mass spectrometry. J Sci Food Agric 91(7):1187–1198CrossRefGoogle Scholar
  9. Gao W, Fan W, Xu Y (2014) Characterization of the key odorants in light aroma type Chinese liquor by gas chromatography-olfactometry, quantitative measurements, aroma recombination, and omission studies. J Agric Food Chem 62(25):5796–5804CrossRefGoogle Scholar
  10. Garde-Cerdán T, Lorenzo C, Alonso GL, Salinas MR (2010) Employment of near infrared spectroscopy to determine oak volatile compounds and ethylphenols in aged red wines. Food Chem 119:823–828CrossRefGoogle Scholar
  11. Garde-Cerdán T, Lorenzo C, Zalacain A, Alonso GL, Salinas MR (2012) Using near infrared spectroscopy to determine haloanisoles and halophenols in barrel aged red wines. LWT Food Sci Technol 46(2):401–405CrossRefGoogle Scholar
  12. Grassi S, Amigo JM, Lyndgaard CBG, Foschino R, Casiraghi E (2014) Beer fermentation: monitoring of process parameters by FT-NIR and multivariate data analysis. Food Chem 155:279–286CrossRefGoogle Scholar
  13. Jiang H, Chen Q (2015) Chemometric models for the quantitative descriptive sensory properties of green tea (Camellia sinensis L.) using Fourier transform near infrared (FT-NIR) spectroscopy. Food Anal Methods 8:954–962CrossRefGoogle Scholar
  14. Jiang H, Zhu W (2013) Determination of pear internal quality attributes by Fourier transform near infrared (FT-NIR) spectroscopy and multivariate analysis. Food Anal Methods 6:569–577CrossRefGoogle Scholar
  15. Jiang H, Liu GH, Xiao XH, Yu S, Mei CL, Ding YH (2012) Classification of Chinese soybean paste by Fourier transform near-infrared (FT-NIR) spectroscopy and different supervised pattern recognition. Food Anal Methods 5:928–934CrossRefGoogle Scholar
  16. Koláčková P, Růžičková G, Gregor T, Šišperová E (2015) Quick method (FT-NIR) for the determination of oil and major fatty acids content in whole achenes of milk thistle (Silybum marianum (L.) Gaertn.). J Sci Food Agric 95:2264–2270CrossRefGoogle Scholar
  17. Li Z, Wang PP, Huang CC, Shang H, Pan SY, Li XJ (2014) Application of vis/NIR spectroscopy for Chinese liquor discrimination. Food Anal Methods 7:1337–1344CrossRefGoogle Scholar
  18. Lorenzo C, Garde-Cerdán T, Pedroza MA, Alonso GL, Salinas MR (2009) Determination of fermentative volatile compounds in aged red wines by near infrared spectroscopy. Food Res Int 42:1281–1286CrossRefGoogle Scholar
  19. Martelo-Vidal MJ, Vázquez M (2014a) Evaluation of ultraviolet, visible and near infrared spectroscopy for the analysis of wine compounds. Czech J Food Sci 32:37–47Google Scholar
  20. Martelo-Vidal MJ, Vázquez M (2014b) Classification of red wines from controlled designation of origin by ultraviolet–visible and near-infrared spectral analysis. Ciência Téc Vitiv 29(1):35–43CrossRefGoogle Scholar
  21. Martelo-Vidal MJ, Vázquez M (2014c) Determination of polyphenolic compounds of red wines by UV–VIS–NIR spectroscopy and chemometrics tools. Food Chem 158:28–34CrossRefGoogle Scholar
  22. Martelo-Vidal MJ, Domínguez-Agis F, Vázquez M (2013) Ultraviolet/visible/near-infrared spectral analysis and chemometric tools for the discrimination of wines between subzones inside a controlled designation of origin: a case study of Rías Baixas. Aust J Grape Wine Res 19(1):62–67CrossRefGoogle Scholar
  23. Mendes TO, da Rocha RA, Porto RSL, de Oliveira MAL, dos Anjos VC, Bell MJV (2015) Quantification of extra-virgin olive oil adulteration with soybean oil: a comparative study of NIR, MIR, and Raman spectroscopy associated with chemometric approaches. Food Anal Methods 8(9):2339–2346CrossRefGoogle Scholar
  24. Niu Y, Yu D, Xiao Z, Zhu J, Song S, Zhu G (2015) Use of stir bar sorptive extraction and thermal desorption for gas chromatography-mass spectrometry characterization of selected volatile compounds in Chinese liquors. Food Anal Methods 8(7):1771–1784CrossRefGoogle Scholar
  25. Ouyang Q, Zhao J, Chen Q (2015) Measurement of non-sugar solids content in Chinese rice wine using near infrared spectroscopy combined with an efficient characteristic variables selection algorithm. Spectrochim Acta A 151:280–285CrossRefGoogle Scholar
  26. Peng Q, Dong R, Xun S, Yang M, Feng Y, Sun D, Geng P (2013) Determination of volatile phenols in Chinese liquors by high-performance liquid chromatography associated with bcyclodextrin and a protective barrier layer. Flavour Fragr J 28:137–143CrossRefGoogle Scholar
  27. Pissard A, Pierna JAF, Baeten V, Sinnaeve G, Lognay G, Mouteau A, Dupont P, Rondia A, Lateur M (2013) Non-destructive measurement of vitamin C, total polyphenol and sugar content in apples using near-infrared spectroscopy. J Sci Food Agric 93:238–244CrossRefGoogle Scholar
  28. Sáiz-Abajo MJ, González-Sáiz JM, Pizarro C (2006) Prediction of organic acids and other quality parameters of wine vinegar by near-infrared spectroscopy. Food Chem 99:615–621CrossRefGoogle Scholar
  29. Shen F, Niu X, Yang D, Ying Y, Li B, Zhu G, Wu J (2010) Determination of amino acids in Chinese rice wine by Fourier transform near-infrared spectroscopy. J Agric Food Chem 58(17):9809–9816CrossRefGoogle Scholar
  30. Shen F, Yang D, Ying Y, Li B, Zheng Y, Jiang T (2012a) Discrimination between Shaoxing wines and other Chinese rice wines by near-infrared spectroscopy and chemometrics. Food Bioprocess Technol 5(2):786–795CrossRefGoogle Scholar
  31. Shen F, Ying Y, Li B, Zheng Y, Liu X (2012b) Discrimination of blended Chinese rice wine ages based on near-infrared spectroscopy. Int J Food Prop 15(6):1262–1275CrossRefGoogle Scholar
  32. Shen T, Zou X, Shi J, Li Z, Huang X, Xu Y, Chen W (2015) Determination geographical origin and flavonoids content of goji berry using near-infrared spectroscopy and chemometrics. Food Anal Methods. doi: 10.1007/s12161-015-0175-x Google Scholar
  33. Smyth HE, Cozzolino D, Cynkar WU, Dambergs RG, Sefton M, Gishen M (2008) Near infrared spectroscopy as a rapid tool to measure volatile aroma compounds in Riesling wine: possibilities and limits. Anal Bioanal Chem 390(7):1911–1916CrossRefGoogle Scholar
  34. Szigedi T, Fodor M, Pérez-Marin D, Garrido-Varo A (2013) Fourier transform near-infrared spectroscopy to predict the gross energy content of food grade legumes. Food Anal Methods 6:1205–1211CrossRefGoogle Scholar
  35. Tan C, Chen H, Lin Z, Wu T, Wang L, Zhang K (2015) Classification of liquor using near-infrared spectroscopy and chemometrics. Anal Lett 48:291–300CrossRefGoogle Scholar
  36. Teye E, Huang X (2015) Novel prediction of total fat content in cocoa beans by FT-NIR spectroscopy based on effective spectral selection multivariate regression. Food Anal Methods 8:945–953CrossRefGoogle Scholar
  37. Wang X, Fan W, Xu Y (2014) Comparison on aroma compounds in Chinese soy sauce and strong aroma type liquors by gas chromatography–olfactometry, chemical quantitative and odor activity values analysis. Eur Food Res Technol 239:813–825CrossRefGoogle Scholar
  38. Wang PP, Li Z, Qi TT, Li XJ, Pan SY (2015) Development of a method for identification and accurate quantitation of aroma compounds in Chinese Daohuaxiang liquors based on SPME using a sol-gel fibre. Food Chem 169:230–240CrossRefGoogle Scholar
  39. Wu JF, Xu Y (2013) Comparison of pyrazine compounds in seven Chinese liquors using headspace solid-phase micro-extraction and GC-nitrogen phosphourus detection. Food Sci Biotechnol 22(5):1253–1258CrossRefGoogle Scholar
  40. Wu Z, Long J, Xu E, Wu C, Wang F, Xu X, Jin Z, Jiao A (2015a) Application of FT-NIR spectroscopy and FT-IR spectroscopy to Chinese rice wine for rapid determination of fermentation process parameters. Anal Methods 7:2726–2737CrossRefGoogle Scholar
  41. Wu Z, Xu E, Long J, Wang F, Xu X, Jin Z, Jiao A (2015b) Rapid measurement of antioxidant activity and γ-aminobutyric acid content of Chinese rice wine by Fourier-transform near infrared spectroscopy. Food Anal Methods 8:2541–2553CrossRefGoogle Scholar
  42. Wu Z, Xu E, Wang F, Long J, Xu X, Jiao A, Jin Z (2015c) Rapid determination of process variables of Chinese rice wine using FT-NIR spectroscopy and efficient wavelengths selection methods. Food Anal Methods 8:1456–1467CrossRefGoogle Scholar
  43. Xiao Z, Yu D, Niu Y, Chen F, Song S, Zhu J, Zhu G (2014) Characterization of aroma compounds of Chinese famous liquors by gas chromatography–mass spectrometry and flash GC electronic-nose. J Chromatogr B 945–946:92–100CrossRefGoogle Scholar
  44. Yao F, Yi B, Shen C, Tao F, Liu Y, Lin Z, Xu P (2015) Chemical analysis of the Chinese liquor Luzhoulaojiao by comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry. Sci Rep. doi: 10.1038/srep09553 Google Scholar
  45. Ye M, Yue T, Yuan Y, Li Z (2014) Application of FT-NIR spectroscopy to apple wine for rapid simultaneous determination of soluble solids content, pH, total acidity, and total ester content. Food Bioprocess Technol 7:3055–3062CrossRefGoogle Scholar
  46. Yu HY, Niu XY, Lin HJ, Ying YB, Li BB, Pan XX (2009) A feasibility study on on-line determination of rice wine composition by vis–NIR spectroscopy and least-squares support vector machines. Food Chem 113:291–296CrossRefGoogle Scholar
  47. Zhong J, Qin X (2015) Rapid quantitative analysis of corn starch adulteration in Konjac Glucomannan by chemometrics-assisted FT-NIR spectroscopy. Food Anal Methods. doi: 10.1007/s12161-015-0176-9 Google Scholar
  48. Zhu S, Lu X, Ji K, Guo K, Li Y, Wu C, Xu G (2007) Characterization of flavor compounds in Chinese liquor Moutai by comprehensive two-dimensional chromatography/time-of-flight mass spectrometry. Anal Chim Acta 597(2):340–348CrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media New York 2016

Authors and Affiliations

  1. 1.College of Food and BioengineeringHenan University of Science and TechnologyLuoyangPeople’s Republic of China

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