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Determination of amylose content in starch using Raman spectroscopy and multivariate calibration analysis

机译:拉曼光谱法和多元校正分析法测定淀粉中的直链淀粉含量

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摘要

Fourier transform Raman spectroscopy and chemometric tools have been used for exploratory analysis of pure corn and cassava starch samples and mixtures of both starches, as well as for the quantification of amylose content in corn and cassava starch samples. The exploratory analysis using principal component analysis shows that two natural groups of similar samples can be obtained, according to the amylose content, and consequently the botanical origins. The Raman band at 480 cm~(-1), assigned to the ring vibration of starches, has the major contribution to the separation of the corn and cassava starch samples. This region was used as a marker to identify the presence of starch in different samples, as well as to characterize amylose and amylopectin. Two calibration models were developed based on partial least squares regression involving pure corn and cassava, and a third model with both starch samples was also bui the results were compared with the results of the standard colorimetric method. The samples were separated into two groups of calibration and validation by employing the Kennard-Stone algorithm and the optimum number of latent variables was chosen by the root mean square error of cross-validation obtained from the calibration set by internal validation (leave one out). The performance of each model was evaluated by the root mean square errors of calibration and prediction, and the results obtained indicate that Fourier transform Raman spectroscopy can be used for rapid determination of apparent amylose in starch samples with prediction errors similar to those of the standard method.
机译:傅里叶变换拉曼光谱法和化学计量学工具已用于对纯玉米和木薯淀粉样品以及两种淀粉的混合物进行探索性分析,以及定量分析玉米和木薯淀粉样品中的直链淀粉含量。使用主成分分析的探索性分析表明,根据直链淀粉的含量,可以得出两个相似样品的天然组,从而可以得出植物来源。 480 cm〜(-1)的拉曼谱带与淀粉的环形振动有关,对玉米和木薯淀粉样品的分离具有重要作用。该区域用作标记,以识别不同样品中淀粉的存在,以及表征直链淀粉和支链淀粉。基于涉及纯玉米和木薯的偏最小二乘回归,开发了两个校准模型,并且还建立了具有两个淀粉样品的第三个模型;将结果与标准比色法的结果进行比较。通过使用Kennard-Stone算法将样本分为两组校准和验证,并通过内部验证从校准集中获得的交叉验证的均方根误差,选择最佳潜变量数。 。通过校准和预测的均方根误差评估每个模型的性能,获得的结果表明,傅里叶变换拉曼光谱可以用于快速测定淀粉样品中的表观直链淀粉,其预测误差与标准方法相似。 。

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