短波近红外光谱的整粒小麦蛋白质PLS方法的定量分析

The PLS Analysis with Short Wave Near-Infrared of Whole Wheat for Protein

利用漫反射法获得的整粒小麦短波近红外光谱 (833～ 1111nm) ,采用化学计量学中的偏最小二乘法 (PLS)方法 ,选取不同的波长范围对光谱进行信息提取和分析 ,给出了不同因子数时PLS方法进行蛋白质分析的结果及其因子数与预测标准偏差平方和 (PRESS)关系曲线 ,确定了最佳回归因子数。并通过选取最佳回归因子和不同波段 ,对整粒小麦的蛋白质成分进行了定量分析 ,比较了不同波长范围对分析的影响 ,并从中获得了较好的预测结果 ,实验表明 ,合理选择光谱范围可减少非主要信息的干扰 ,并以此来提高成分分析精度的方法是切实可行的 。

Short wave near-infrared spectrum of whole wheat was obtained by diffusion reflection. PLS method was used to analyze protein content of whole wheat. Different wavelength ranges were chosen for regression and information abstraction. The 3D-curves were shown for different factors, prediction residual sum of squares (PRESS), and RMSECV. The best wavelength ranges and factors were determined. Analysis results for protein content of whole wheat were shown in three wavelength regions, and the predicted results were compared and discussed. The method of selecting advantageous wavelength ranges is feasible to obtain high prediction precision.