Sohn Miryeong, Himmelsbach David S, Barton Franklin E, Griffey Carl A, Brooks Wynse, Hicks Kevin B
Richard B. Russell Agricultural Research Center, ARS, USDA, Athens, Georgia 30605, USA.
Appl Spectrosc. 2008 Apr;62(4):427-32. doi: 10.1366/000370208784046768.
This study was conducted to develop calibration models for determining quality parameters of whole kernel barley using a rapid and nondestructive near-infrared (NIR) spectroscopic method. Two hundred and five samples of whole barley grains of three winter-habit types (hulled, malt, and hull-less) produced over three growing seasons and from various locations in the United States were used in this study. Among these samples, 137 were used for calibration and 68 for validation. Three NIR instruments with different resolutions, one Fourier transform instrument (4 cm(-1) resolution), and two dispersive instruments (8 nm and 10 nm bandpass) were utilized to develop calibration models for six components (moisture, starch, beta-glucan, protein, oil, and ash) and the results were compared. Partial least squares regression was used to build models, and various methods for preprocessing of spectral data were used to find the best model. Our results reveal that the coefficient of determination for calibration models (NIR predicted versus reference values) ranged from 0.96 for moisture to 0.79 for beta-glucan. The level of precision of the model developed for each component was sufficient for screening or classification of whole kernel barley, except for beta-glucan. The higher resolution Fourier transform instrument gave better results than the lower resolution instrument for starch and beta-glucan analysis. The starch model was most improved by the increased resolution. There was no advantage of using a higher resolution instrument over a lower resolution instrument for other components. Most of the components were best predicted using first-derivative processing, except for beta-glucan, where second-derivative processing was more informative and precise.
本研究旨在开发校准模型,以便使用快速无损的近红外(NIR)光谱法测定整粒大麦的品质参数。本研究使用了在美国三个生长季节从不同地点生产的三种冬性类型(带壳、麦芽和裸粒)的205个整粒大麦样本。在这些样本中,137个用于校准,68个用于验证。使用三台不同分辨率的近红外仪器,一台傅里叶变换仪器(分辨率为4 cm(-1))和两台色散仪器(带通分别为8 nm和10 nm)来开发六种成分(水分、淀粉、β-葡聚糖、蛋白质、油和灰分)的校准模型,并对结果进行比较。采用偏最小二乘回归建立模型,并使用各种光谱数据预处理方法来寻找最佳模型。我们的结果表明,校准模型的决定系数(近红外预测值与参考值)范围从水分的0.96到β-葡聚糖的0.79。除β-葡聚糖外,为每种成分开发的模型精度水平足以对整粒大麦进行筛选或分类。对于淀粉和β-葡聚糖分析,分辨率较高的傅里叶变换仪器比分辨率较低的仪器给出了更好的结果。淀粉模型因分辨率提高而得到最大改善。对于其他成分,使用高分辨率仪器相对于低分辨率仪器没有优势。除β-葡聚糖外,大多数成分使用一阶导数处理预测效果最佳,而对于β-葡聚糖,二阶导数处理提供的信息更多且更精确。