利用猪油傅里叶变换红外光谱图谱和多元分析对混合油墨和印刷包装膜油墨提取物中的猪油进行库曼斯图谱分类

R.A. Talib, N. M. Rashid, R.A. Rahman, N. Mohamad, R. Sukor, M. Mohamad Mazlan
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摘要

使用傅立叶变换红外光谱(FTIR)对商用凹印油墨(0.5% 至 20%)和从七种商用食品包装薄膜中提取的油墨混合物中的猪油进行了表征。获得了与猪油指纹相关的 4000 - 650cm-1 的傅立叶变换红外光谱带,并使用偏最小二乘法 (PLS) 回归和判别分析 (DA) 对猪油及其混合物进行了分类。使用 PLS 校准和验证模型确定了猪油预测值和实际值的线性相关性。它们分别产生了 0.943 的高判定系数 (R2)、1.674 的低校准均方根误差 (RMSEC),以及 0.999 的高 R2 和 1.233 的低预测均方根误差 (RMSEP)。采用留一交叉验证对 PLS 定标进行了验证,同时使用 DA 对一系列猪油标准膜、猪油添加墨水膜和商业食品包装膜进行了分类。添加猪油的油墨和商用食品包装薄膜的库曼斯图分类结果表明,食品包装样本在添加猪油的油墨类别中被绘制成左右半球。这一结果还表明,傅立叶变换红外光谱结合化学计量学 PLS 预测印刷油墨中的猪油含量具有很高的总体准确性,这表现在低差值(MD)(0.577)和低差值标准偏差(SDD)(0.599)上。通过检测,可以将可能含有猪油的油墨包装样品与不含猪油的样品区分开来。样品 7(商业印刷食品包装油墨)含有猪油的可能性最大。
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Coomans plot classification of lard in the ink blends and ink extracts from printed packaging films using lard Fourier transform infrared spectral profile and multivariate analysis
Lard in blends of commercial gravure ink (ranging from 0.5 to 20%) and ink extracts from eleven commercially printed packaging films for foodstuffs was characterized using Fourier transform infrared (FTIR) spectroscopy. The FTIR spectral bands at 4000 ‒ 650 cm-1 associated with the lard fingerprint were acquired and used to classify the lard and its blends using partial least squares (PLS) regression and discriminant analysis (DA). Commercial gravure inks (also used for preparing calibration curve samples), blends of lard ranging from 0.5 to 20% in gravure inks, and commercially printed food packaging films were tested. Linear correlation of predicted and actual values of lard were determined using PLS calibration and validation models. They produced a high coefficient of determination (R2 ) of 0.943, a low root mean square error of calibration (RMSEC) of 1.674, as well as a high R2 = 0.999 and a low root mean square error of prediction (RMSEP) of 1.233, respectively. The PLS calibration was verified employing a leave-oneout cross-validation, while DA was used to classify a series of lard standard, lard-added ink, and commercial food packaging films. The Coomans plot classification of the lardadded ink and commercial food packaging films illustrated that the food packaging samples were plotted in the right and left hemispheres in the lard-added ink class. This result also demonstrated that FTIR coupled with chemometric PLS predicted the lard content in the printing inks with high overall accuracy, as indicated by a low mean difference (MD) value of 0.577 and a low standard deviation of difference (SDD) value of 0.599. The DA allowed the ink packaging samples that potentially contained lard to be distinguished from those without lard. Sample 7 (commercially printed food packaging ink) exhibits the highest possibility of containing lard.
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