高效液相色谱法估算甘蔗汁中总可回收糖(TRS)及近红外光谱结合偏最小二乘快速预测

IF 2.8 Q2 FOOD SCIENCE & TECHNOLOGY
Juliana Cerqueira de Paiva, Wilson Junior Cardoso, Helder R. de Oliveira Filho, Márcio Henrique Pereira Barbosa, Luiz Alexandre Peternelli and Reinaldo Francisco Teófilo*, 
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引用次数: 0

摘要

本研究提出了一种利用近红外光谱(NIR)和偏最小二乘(PLS)回归快速、直接测定甘蔗汁中总可回收糖(TRS)的方法。以直接从甘蔗汁中提取的近红外光谱为自变量,TRS值为因变量,建立PLS模型。TRS通过两个估计获得:(i)技术分析(TRSTA),使用CONSECANA方程间接确定;(ii)高效液相色谱法,用于量化蔗糖、葡萄糖和果糖来计算TRS,定义为TRSLC。TRSTA和TRSLC的估计值分别为82.08 ~ 180.03 kg - 1和116.14 ~ 216.83 kg - 1。TRSTA与TRSLC具有较高的相关系数(R = 0.90)和一致偏差(24.75 kg - 1)。因此,提出了中位数偏差校正来改善对齐。为了提高模型的性能,采用有序预测器选择(OPS)算法进行变量选择。与使用全光谱范围的模型相比,使用OPS建立的PLS模型显示出更高的精度。TRSTA和TRSLC的最佳PLS-OPS模型预测均方根误差分别为7.8和9.8 kg - 1, R分别为0.91和0.86。最后,该模型成功地应用于实际的基因型筛选场景,显示出较高的选择效率,并与基于高效液相色谱的排名高度一致。这些发现证明了NIR-PLS模型在甘蔗育种和工业决策中作为可靠、低成本和可扩展的TRS预测替代方案的潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Enhanced Total Recoverable Sugar (TRS) Estimation in Sugar Cane Juice by HPLC and Rapid TRS Prediction via NIR Spectroscopy Coupled with Partial Least-Squares Modeling

This study proposes a rapid and straightforward method for determining total recoverable sugars (TRS) in sugar cane juice using near-infrared spectroscopy (NIR) and partial least-squares (PLS) regression. PLS models were built using NIR spectra obtained directly from sugar cane juice as independent variables and TRS values as dependent variables. TRS was obtained via two estimations: (i) technological analysis (TRSTA), indirectly determined using CONSECANA equations, and (ii) high-performance liquid chromatography, used to quantify sucrose, glucose, and fructose to calculate TRS, defined as TRSLC. The estimated values for TRSTA and TRSLC ranged from 82.08 to 180.03 kg ton–1 and from 116.14 to 216.83 kg ton–1, respectively. A high correlation coefficient (R = 0.90) and a consistent bias of 24.75 kg ton–1 were observed between TRSTA and TRSLC. Thus, a median bias correction was proposed to improve the alignment. To enhance model performance, variable selection was applied by using the ordered predictor selection (OPS) algorithm. PLS models built with the OPS showed improved accuracy compared to models using the full spectral range. The best PLS-OPS model for TRSTA and TRSLC presented root-mean-square errors of prediction of 7.8 and 9.8 kg ton–1 and R of 0.91 and 0.86, respectively. Finally, the models were successfully applied in a practical genotype screening scenario, showing a high selection efficiency and strong agreement with HPLC-based rankings. These findings demonstrate the potential of NIR-PLS models as reliable, low-cost, and scalable alternatives for TRS prediction in sugar cane breeding and industrial decision-making.

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CiteScore
3.30
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