Determination of tea polyphenols content by infrared spectroscopy coupled with iPLS and random frog techniques

Infrared spectroscopy was used for tea polyphenols detection of 14 cultivars tea.Characteristic wavenumbers were selected using PLS, iPLS, biPLS, and random frog.Quantitative determination of tea polyphenols was achieved based on the characteristic wavenumbers.Infrared spectroscopy in tea polyphenols determination is promising. The potential of infrared spectroscopy for fast determination of tea polyphenols (TP) of 14 cultivars of tea trees was investigated based on data mining technique. And the TP determination models were respectively developed for large leaf cultivars, middle leaf cultivars and all the cultivars. Interval partial least squares (iPLS) was proposed to extract and optimize feature from full-spectrum data. Regression models were respectively established based on PLS, iPLS and biPLS. Modeling results showed that the model based on the biPLS with the optimal subinterval selection (2452-dimensional wavenumbers) outperformed the other models, and the optimal regression model was obtained with high validation correlation of 0.9059, and low RMSE of 1.0277. On the basis of the optimal subinterval selection from biPLS, a further excavation of characteristic wavenumber was done by random frog. Thus, 18 optimal wavenumbers were selected for the TP determination, and the corresponding linear formula of the TP measurement was established. The results proved the feasibility of infrared spectra for measurement of the TP content of tea.

[1]  Yong He,et al.  [Discrimination of varieties of apple using near infrared spectra based on principal component analysis and artificial neural network model]. , 2006, Guang pu xue yu guang pu fen xi = Guang pu.

[2]  Chen LiDan,et al.  Measurement of water content in biodiesel using visible and near infrared spectroscopy combined with Random-Frog algorithm. , 2014 .

[3]  Leslie H. Groom,et al.  Near infared spectroscopy in the forest products industry , 2004 .

[4]  Yong He,et al.  Discriminating varieties of tea plant based on Vis/NIR spectral characteristics and using artificial neural networks , 2008 .

[5]  Chu Zhang,et al.  [Producing area identification of Letinus edodes using mid-infrared spectroscopy]. , 2014, Guang pu xue yu guang pu fen xi = Guang pu.

[6]  L. Gitu,et al.  Determination of caffeine content of tea and instant coffee brands found in the Kenyan market. , 2010 .

[7]  Qing-Song Xu,et al.  Random frog: an efficient reversible jump Markov Chain Monte Carlo-like approach for variable selection with applications to gene selection and disease classification. , 2012, Analytica chimica acta.

[8]  Abdul Rohman,et al.  The use of Fourier transform mid infrared (FT-MIR) spectroscopy for detection and quantification of adulteration in virgin coconut oil. , 2011, Food chemistry.

[9]  S. Engelsen,et al.  Interval Partial Least-Squares Regression (iPLS): A Comparative Chemometric Study with an Example from Near-Infrared Spectroscopy , 2000 .

[10]  Quansheng Chen,et al.  Determination of total polyphenols content in green tea using FT-NIR spectroscopy and different PLS algorithms. , 2008, Journal of pharmaceutical and biomedical analysis.

[11]  Quan V. Vuong,et al.  Caffeine in Green Tea: Its Removal and Isolation , 2014 .

[12]  Jianan Huang,et al.  Comparisons of Antioxidant Activities of Tea Catechin Between Large and Small Leaf Tea , 2002 .

[13]  Naoshi Kondo,et al.  Prediction of vitamin C using FTIR-ATR terahertz spectroscopy combined with interval partial least squares (iPLS) regression , 2011, 2011 IEEE/SICE International Symposium on System Integration (SII).

[14]  Guohua Zhao,et al.  Authentication of lotus root powder adulterated with potato starch and/or sweet potato starch using Fourier transform mid-infrared spectroscopy. , 2013, Food chemistry.

[15]  Andrew K. Skidmore,et al.  Predicting foliar biochemistry of tea (Camellia sinensis) using reflectance spectra measured at powder, leaf and canopy levels , 2013 .

[16]  Xingyi Huang,et al.  Simultaneous determination of total polyphenols and caffeine contents of green tea by near-infrared reflectance spectroscopy , 2006 .

[17]  Jian Ming,et al.  Determination of degree of substitution of carboxymethyl starch by Fourier transform mid-infrared spectroscopy coupled with partial least squares , 2012 .

[18]  Yong-jun Lu,et al.  [Near infrared determination of the content of caffeine in tea polyphenol]. , 2005, Guang pu xue yu guang pu fen xi = Guang pu.

[19]  Zhang Wei.  A Testing Model for Tea Polyphenol Content Based on NIR , 2007 .

[20]  Paul E Milbury,et al.  Flavonols, flavones, flavanones, and human health: epidemiological evidence. , 2005, Journal of medicinal food.