Daszykowski M, Wrobel M S, Czarnik-Matusewicz H, Walczak B
Department of Chemometrics, Institute of Chemistry, Silesian University, Katowice, Poland.
Analyst. 2008 Nov;133(11):1523-31. doi: 10.1039/b803687j. Epub 2008 Aug 1.
Near-infrared reflectance spectroscopy (NIRS) is often applied when a rapid quantification of major components in feed is required. This technique is preferred over the other analytical techniques due to the relatively few requirements concerning sample preparations, high efficiency and low costs of the analysis. In this study, NIRS was used to control the content of crude protein, fat and fibre in extracted rapeseed meal which was produced in the local industrial crushing plant. For modelling the NIR data, the partial least squares approach (PLS) was used. The satisfactory prediction errors were equal to 1.12, 0.13 and 0.45 (expressed in percentages referring to dry mass) for crude protein, fat and fibre content, respectively. To point out the key spectral regions which are important for modelling, uninformative variable elimination PLS, PLS with jackknife-based variable elimination, PLS with bootstrap-based variable elimination and the orthogonal partial least squares approach were compared for the data studied. They enabled an easier interpretation of the calibration models in terms of absorption bands and led to similar predictions for test samples compared to the initial models.
当需要快速定量饲料中的主要成分时,通常会应用近红外反射光谱法(NIRS)。由于对样品制备的要求相对较少、分析效率高且成本低,该技术比其他分析技术更受青睐。在本研究中,NIRS用于控制当地工业压榨厂生产的浸出菜粕中粗蛋白、脂肪和纤维的含量。为了对近红外数据进行建模,使用了偏最小二乘法(PLS)。粗蛋白、脂肪和纤维含量的预测误差分别为1.12、0.13和0.45(以干物质百分比表示),令人满意。为了指出对建模重要的关键光谱区域,对所研究的数据比较了无信息变量消除PLS、基于刀切法变量消除的PLS、基于自助法变量消除的PLS和正交偏最小二乘法。与初始模型相比,它们能够更轻松地根据吸收带解释校准模型,并对测试样品得出相似的预测结果。