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Determination of Amino Acid Composition of Soybeans (Glycine max) by Near-Infrared Spectroscopy

机译:近红外光谱法测定大豆的氨基酸组成

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Calibration equations for the estimation of amino acid composition in whole soybeans were developed using partial least squares (PLS),artificial neural networks (ANN),and support vector machines (SVM) regression methods for five models of near-infrared (NIR) spectrometers.The effects of amino acid/ protein correlation,calibration method,and type of spectrometer on predictive ability of the equations were analyzed.Validation of prediction models resulted in r~2 values from 0.04 (tryptophan) to 0.91 (leucine and lysine).Most of the models were usable for research purposes and sample screening.Concentrations of cysteine and tryptophan had no useful correlation with spectral information.Predictive ability of calibrations was dependent on the respective amino acid correlations to reference protein.Calibration samples with nontypical amino acid profiles relative to protein would be needed to overcome this limitation.The performance of PLS and SVM was significantly better than that of ANN.Choice of preferred modeling method was spectrometer-dependent.
机译:使用偏最小二乘(PLS),人工神经网络(ANN)和支持向量机(SVM)回归方法建立了用于五个大豆模型的近红外(NIR)光谱仪的估计大豆中氨基酸组成的校准方程式。分析了氨基酸/蛋白质相关性,校正方法和光谱仪类型对方程预测能力的影响。预测模型的验证导致r〜2值从0.04(色氨酸)到0.91(亮氨酸和赖氨酸)。该模型可用于研究目的和样品筛选。半胱氨酸和色氨酸的浓度与光谱信息没有有用的相关性。校准的预测能力取决于与参考蛋白各自的氨基酸相关性。具有相对于蛋白的非典型氨基酸谱的校准样品需要克服这一限制.PLS和SVM的性能明显优于ANN.Cho首选建模方法的冰依赖于光谱仪。

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