Characterization of near-infrared spectral variance in the authentication of skim and nonfat dry milk powder collection using ANOVA-PCA, pooled-ANOVA, and partial least-squares regression.
Characterization of near-infrared spectral variance in the authentication of skim and nonfat dry milk powder collection using ANOVA-PCA, pooled-ANOVA, and partial least-squares regression.
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DOI：
10.1021/jf5013727
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发表时间：
2014-08-13
影响因子：
6.1
通讯作者：
Moore JC
中科院分区：
文献类型：
--
作者：
Harnly JM;Harrington PB;Botros LL;Jablonski J;Chang C;Bergana MM;Wehling P;Downey G;Potts AR;Moore JC
采用近红外漫反射光谱法对来自8家供应商、13个生产基地和3种加工温度的脱脂奶粉（SMP）和脱脂奶粉（NFDM）的41份样品进行了为期3天的分析。将近红外反射光谱（1700-2500 nm）转换为假吸光度，并使用(a)方差-主成分分析（ANOVA-PCA）分析，(b)基于数据子矩阵的混合方差分析，以及(c)偏最小二乘回归（PLSR）结合混合方差分析进行检验。ANOVA-PCA评分图显示，样品在牛奶类别（SMP或NFDM）、分析日期、生产地点、加工温度和单个样品方面存在明显的分离。混合方差分析（Pooled-ANOVA）为平均值的分离提供了统计显著性水平，其中一些比10-3低许多数量级。PLSR表明，在这项跨国研究中，与分析证书（COA）浓度的相关性从水分的弱决定系数（R2） 0.32到脂肪的中等R2值0.61和蛋白质的0.78不等。在本研究中，混合方差分析首次应用于PLS建模，并证明即使校准模型可能不精确，尽管COA值固有的不精确，但近红外光谱中蛋白质峰的贡献占变异的最大比例。
Forty-one samples of skim milk powder (SMP) and nonfat dry milk (NFDM) from 8 suppliers, 13 production sites, and 3 processing temperatures were analyzed by NIR diffuse reflectance spectrometry over a period of 3 days. NIR reflectance spectra (1700–2500 nm) were converted to pseudoabsorbance and examined using (a) analysis of variance-principal component analysis (ANOVA-PCA), (b) pooled-ANOVA based on data submatrices, and (c) partial least-squares regression (PLSR) coupled with pooled-ANOVA. ANOVA-PCA score plots showed clear separation of the samples with respect to milk class (SMP or NFDM), day of analysis, production site, processing temperature, and individual samples. Pooled-ANOVA provided statistical levels of significance for the separation of the averages, some of which were many orders of magnitude below 10–3. PLSR showed that the correlation with Certificate of Analysis (COA) concentrations varied from a weak coefficient of determination (R2) of 0.32 for moisture to moderate R2 values of 0.61 for fat and 0.78 for protein for this multinational study. In this study, pooled-ANOVA was applied for the first time to PLS modeling and demonstrated that even though the calibration models may not be precise, the contribution of the protein peaks in the NIR spectra accounted for the largest proportion of the variation despite the inherent imprecision of the COA values.
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影响因子：
3
作者：
KAISER, HF
通讯作者：
KAISER, HF
影响因子：
6.1
作者：
Luthria, Devanand L.;Lin, Long-Ze;Harnly, James M.
通讯作者：
Harnly, James M.
影响因子：
6.2
作者：
Harrington, PD;Vieira, NE;Yergey, AL
通讯作者：
Yergey, AL
影响因子：
6.2
作者：
GELADI, P;KOWALSKI, BR
通讯作者：
KOWALSKI, BR
影响因子：
6.1
作者：
Luthria, Devanand L.;Mukhopadhyay, Sudarsan;Harnly, James A.
通讯作者：
Harnly, James A.