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Characterizationof Near-Infrared Spectral Variancein the Authentication of Skim and Nonfat Dry Milk Powder CollectionUsing ANOVA-PCA Pooled-ANOVA and Partial Least-Squares Regression

机译:表征近红外光谱方差脱脂和脱脂奶粉收集认证中的认证使用ANOVA-PCA合并ANOVA和部分最小二乘回归

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摘要

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 theprotein peaks in the NIR spectra accounted for the largest proportionof the variation despite the inherent imprecision of the COA values.
机译:通过NIR漫反射光谱法在3天的时间内对来自8个供应商,13个生产地点和3个加工温度的41个脱脂奶粉(SMP)和脱脂奶粉(NFDM)样品进行了分析。 NIR反射光谱(1700–2500 nm)被转换为伪吸收,并使用(a)方差本原分量分析(ANOVA-PCA),(b)基于数据子矩阵的合并ANOVA和(c)偏最小二乘分析平方回归(PLSR)与合并方差分析。 ANOVA-PCA得分图显示出样品在牛奶等级(SMP或NFDM),分析日,生产地点,加工温度和单个样品方面的清晰分离。合并方差分析为平均值分离提供了统计学上的显着性水平,其中一些低于10 –3 多个数量级。 PLSR表明与分析证书(COA)浓度的相关性从水分的弱测定系数(R 2 )变为0.32,而水分的中等测定R 2 值为0.61。这项跨国研究的脂肪含量和蛋白质含量为0.78。在这项研究中,合并ANOVA首次用于PLS建模,并证明即使校准模型可能不精确,NIR光谱中的蛋白质峰占最大比例尽管COA值具有固有的不精确性,但仍会产生变化。

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