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首页> 外文期刊>American Journal of Analytical Chemistry >Traceability of Active Compounds of Essential Oils in Antimicrobial Food Packaging Using a Chemometric Method by ATR-FTIR
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Traceability of Active Compounds of Essential Oils in Antimicrobial Food Packaging Using a Chemometric Method by ATR-FTIR

机译：用ATR-FTIR使用化学计量法在抗菌食品包装中精油活性化合物的可追溯性

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摘要

A simple and rapid Fourier Transform infrared (FTIR) spectroscopy method was developed to determine the main essential oil components (carvacrol, thymol and p-cymene) in the antimicrobial LDPE films incorporated with oregano (Origanum vulgare) and thyme (Thymus vulgaris) essential oils. The ATR-FTIR spectrum of pure active components (carvacrol, thymol and p-cymene) was characterized, and the ranges between 1125 cm-1 - 1095 cm-1, 1170 cm-1 - 1140 cm-1 and 1050 cm-1 - 1017 cm-1 were respectively used for quantitative estimation. Partial least square (PLS) analysis was used for quantitative analysis. FTIR spectroscopy with chemometrics, using the PLS-1st derivative spectra, could predict the content of active compounds accurate to an r2 greater than 0.99 and a standard error of prediction (SEP) less than 0.7. The developed method was successfully applied to predict the concentration of active compounds: carvacrol, thymol and p-cymene in oregano and thyme essential oils with results compared to those of the GC-MS method. The described non-destructive method can be applied in the industry instead of extraction, distillation and blend processes of the mentioned essential oils and can be extended to detect the content of carvacrol, thymol and p-cymene in active packaging and other commercial products.
机译：开发了一种简单而快速的傅里叶变换红外（FTIR）光谱法，以确定掺入牛至（ orcanum vulgare ）精油。特征在于纯活性组分（碳酸，胸腺和P-Cymene）的ATR-FTIR光谱，并在1125cm -1 / sop> -1095cm -1 / sup>，1170之间的范围CM -1 -1 / sup> - 1140cm -1 和1050cm -1 - 1017cm -1 用于定量估计。部分最小二乘（PLS）分析用于定量分析。使用PLS-1 st 衍生物光谱的FTIR光谱学可预测高于0.99的 R 2的活性化合物的含量和预测的标准误差（ SEP）小于0.7。成功地应用了开发的方法以预测牛至的活性化合物的浓度：牛至和百里香精油与与GC-MS法相比的百里香精油的浓度。所描述的非破坏性方法可以应用于行业而不是提取的精油的提取，蒸馏和混合过程，并且可以扩展以检测活性包装和其他商业产品中的碳酸，胸腺酚和P-Cymene的含量。

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