Rapid Determination of Total Dietary Fiber and Minerals in Coix Seed by Near-Infrared Spectroscopy Technology Based on Variable Selection Methods
Rapid Determination of Total Dietary Fiber and Minerals in Coix Seed by Near-Infrared Spectroscopy Technology Based on Variable Selection Methods
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DOI：
10.1007/s12161-014-0037-y
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发表时间：
2015-08
影响因子：
2.9
通讯作者：
Xing Liu;Yuzhi Rong;Xin Zhang;Dan-Zhuo Mao;Yong-Jian Yang;Zhengwu Wang
中科院分区：
文献类型：
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作者：
Xing Liu;Yuzhi Rong;Xin Zhang;Dan-Zhuo Mao;Yong-Jian Yang;Zhengwu Wang
研究了近红外光谱法测定薏苡仁中总膳食纤维（TDF）和矿质元素（主要为K、Mg、P和S）的可行性。采用偏最小二乘回归（PLSR）建立定量模型。采用诺里斯导数平滑（NDS）作为预处理方法。通过对竞争自适应重加权采样（CARS）、遗传算法（GA）和随机青蛙（RF）三种变量选择方法的比较，结果表明，CARS获得了PLSR模型的最佳性能，有效波长主要集中在12,000 ~ 11,000 cm−1和6500 ~ 3600 cm−1附近。TDF、K、Mg、P、S定量测定模型的最优预测均方根误差（RMSEP）值分别为0.0923、182.7224、75.4987、162.6993、36.6278；r值分别为0.95、0.88、0.80、0.96、0.96；残差预测偏差（RPD）值分别为2.68、2.05、1.70、3.24、3.04。结果表明，近红外光谱技术可用于薏苡米种子中TDF、K、Mg、P和S的测定。
The feasibility of near-infrared (NIR) spectroscopy for determining total dietary fiber (TDF) and mineral elements (mainly K, Mg, P, and S) in Coix seed was investigated. Partial least squares regression (PLSR) was applied to establish quantitative models. Norris derivative smoothing (NDS) was used as pretreatment method. A comparison of three variable selection methods, namely competitive adaptive reweighted sampling (CARS), genetic algorithms (GA), and random frog (RF), showed that CARS obtained the best performances of PLSR models with the effective wavelengths mainly concentrated on around 12,000–11,000 cm−1 and 6500–3600 cm−1. For the quantitative determination models of TDF, K, Mg, P, and S, the optimal root mean square error of prediction (RMSEP) values were 0.0923, 182.7224, 75.4987, 162.6993, and 36.6278; the r values were 0.95, 0.88, 0.80, 0.96, and 0.96; the residual predictive deviation (RPD) values were 2.68, 2.05, 1.70, 3.24, and 3.04, respectively. It is concluded that the NIR spectral technique has a potential to determine TDF, K, Mg, P, and S in Coix seed.