Chemometric Model for Rapid Determination of Syringyl/Guaiacyl Ratio in Non-Wood by FT-NIR Spectroscopic Data

IF 5.4 Q2 CHEMISTRY, ANALYTICAL Analytical science advances Pub Date : 2025-03-11 DOI:10.1002/ansa.70005
M. Nashir Uddin, Taslima Ferdous, Yangcan Jin, M. Mostafizur Rahman, M. Sarwar Jahan
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Abstract

The present study is to develop a cost-effective, non-destructive and rapid method for quantification of syringyl/guaiacyl (S/G) ratio content in non-wood lignin, which is based on FT-NIR spectroscopic data and chemometric modelling techniques. The S/G ratio in 22 non-wood lignins was determined by wet chemical method. Then the same samples were run with FT-NIR, and the spectroscopic data were pre-processed with Savitzky–Golay (S–G) on their 1st and 2nd derivatives. As chemometric models, principal component regression (PCR) and partial least square regression (PLSR) were assessed for quantification of S/G ratio in non-wood lignin with raw and pre-treated FT-NIR spectral data. Finally, for quantification of S/G ratio, PLSR showed the best predictive results (R2 = 99.90%) with FT-NIR data after treating them with S–G filtered with its derivatives and leverage correction. This rapid and cost-effective method is being proposed for the determination of S/G ratio in non-wood lignin.

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FT-NIR光谱快速测定非木材中丁香基/愈创木基比值的化学计量模型
本研究旨在建立一种基于FT-NIR光谱数据和化学计量建模技术的低成本、无损、快速的非木质木质素中丁香基/愈创木基(S/G)比含量定量方法。采用湿化学法测定了22种非木质素的S/G比。然后对相同样品进行FT-NIR分析,并对光谱数据进行一阶导数和二阶导数的Savitzky-Golay (S-G)预处理。采用主成分回归(PCR)和偏最小二乘回归(PLSR)作为化学计量模型,利用原始和预处理的FT-NIR光谱数据对非木质素的S/G比进行定量分析。最后,对于S/G比的量化,PLSR对FT-NIR数据进行了导数滤波和杠杆校正后的S - G处理,显示出最佳的预测结果(R2 = 99.90%)。提出了一种快速、经济的测定非木质素S/G比的方法。
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