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采用偏最小二乘化学计量学算法优化近红外光谱法测定大米直链淀粉。

Optimization of rice amylose determination by NIR-spectroscopy using PLS chemometrics algorithms.

机构信息

Instituto Nacional de Investigação Agrária e Veterinária (INIAV), Av. da República, Quinta do Marquês, 2780-157 Oeiras, Portugal; Faculty of Engineering, Lusophone University of Humanities and Technology, Campo Grande, 376, 1749-019 Lisbon, Portugal.

Instituto Nacional de Investigação Agrária e Veterinária (INIAV), Av. da República, Quinta do Marquês, 2780-157 Oeiras, Portugal.

出版信息

Food Chem. 2018 Mar 1;242:196-204. doi: 10.1016/j.foodchem.2017.09.058. Epub 2017 Sep 14.

Abstract

Determining amylose content in rice with near infrared (NIR) spectroscopy, associated with a suitable multivariate regression method, is both feasible and relevant for the rice business to enable Process Analytical Technology applications for this critical factor, but it has not been fully exploited. Due to it being time-consuming and prone to experimental errors, it is urgent to develop a low-cost, nondestructive and 'on-line' method able to provide high accuracy and reproducibility. Different rice varieties and specific chemometrics tools, such as partial least squares (PLS), interval-PLS, synergy interval-PLS and moving windows-PLS, were applied to develop an optimal regression model for rice amylose determination. The model performance was evaluated by the root mean square error of prediction (RMSEP) and the correlation coefficient (R). The high performance of the siPLS method (R=0.94; RMSEP=1.938; 8941-8194cm; 5592-5045cm; and 4683-4335cm) shows the feasibility of NIR technology for determination of the amylose with high accuracy.

摘要

利用近红外(NIR)光谱法结合合适的多元回归方法测定大米直链淀粉含量,对于大米企业来说,不仅具有可行性,而且对于实现该关键因素的过程分析技术应用具有重要意义,但这一方法尚未得到充分利用。由于其耗时且容易产生实验误差,因此迫切需要开发一种低成本、无损和“在线”方法,能够提供高精度和可重复性。不同的大米品种和特定的化学计量学工具,如偏最小二乘法(PLS)、区间偏最小二乘法(interval-PLS)、协同区间偏最小二乘法(synergy interval-PLS)和移动窗口偏最小二乘法(moving windows-PLS),被应用于开发用于大米直链淀粉测定的最佳回归模型。通过预测均方根误差(RMSEP)和相关系数(R)来评估模型性能。siPLS 方法的高性能(R=0.94;RMSEP=1.938;8941-8194cm;5592-5045cm;和 4683-4335cm)表明,NIR 技术在测定直链淀粉方面具有高精度的可行性。

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