利用傅里叶变换近红外(FT-NIR)光谱建立多树种、多地点、多龄期桉树木材化学性质PLS回归模型

IF 1.7 4区 农林科学 Q2 MATERIALS SCIENCE, PAPER & WOOD Journal of Wood Chemistry and Technology Pub Date : 2022-09-02 DOI:10.1080/02773813.2022.2115073
Andriambelo Radonirina Razafimahatratra, T. Ramananantoandro, Sophie Nourrissier-Mountou, Chrissy Garel Makouanzi Ekomono, J. Rodrigues, Zo Elia Mevanarivo, G. Chaix
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引用次数: 0

摘要

近红外光谱(NIR)通常用于使用具有高变异性的预测模型对数千种基因型进行高通量表型分析。因此,进行了一项研究,以分析桉树木材7种化学性质的多物种、多地点和多年龄近红外校准模型的潜力。这些模型是基于从5000多个样本中选出的358个样本,这些样本属于5种桉树物种,包括杂交桉树。样本采集自4个不同国家2-35岁的树木。用FT-NIR光谱仪测量了未提取木粉的光谱。采用PLS回归方法在9090-4040 cm−1的光谱范围内建立模型,并通过重复交叉验证和独立测试集进行验证。结果表明,总萃取物(R2 P = 0.91, RMSEP = 1.20%, RPD = 3.3)和KL (R2 P = 0.89, RMSEP = 1.21%, RPD = 3.0)具有较好的预测效果。这两个性状预测效果最好,其次是S/G比(R2 P = 0.84, RMSEP = 0.19, RPD = 2.5)和ASL含量(R2 P = 0.81, RMSEP = 0.54, RPD = 2.3)。对于全纤维素、α纤维素和半纤维素含量,模型提供了近似的预测。除ASL和S/G比外,预测误差均小于实验室误差的2倍。对于总萃取物和ASL,模型的β-系数在9000-4000 cm−1区域大致相同,而对于其他5种性质,它们在7500-4000 cm−1区域更高。在较窄的近红外区域也建立了模型,得到的模型质量与基于9090-4000 cm−1宽范围的模型基本相同。这些已建立的稳健模型可用于基于高变异性样本进行预测。
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Multispecies, multisite, multi-age PLS regression models of chemical properties of eucalypts wood using Fourier Transformed near-Infrared (FT-NIR) spectroscopy
Abstract Near Infrared Spectroscopy (NIR) is often used to perform high throughput phenotyping on thousands of genotypes using prediction models with high variability. A study was therefore undertaken to analyze the potential of multispecies, multisite and multi-age NIR calibration models of seven chemical properties of eucalyptus wood. The models are based on 358 samples selected among more than 5000 samples that belong to five eucalypt species including hybrids. The samples were collected from trees aged 2-35 originating from four different countries. Spectra were measured on non-extracted wood powders using an FT-NIR spectrometer. Models were established in the spectral range of 9090-4040 cm−1 using the PLS regression method, tested by repeated cross-validation and validated on independent test sets. The results showed that the robust models for total extractives (R2 P = 0.91, RMSEP = 1.20%, RPD = 3.3) and KL (R2 P = 0.89, RMSEP = 1.21%, RPD = 3.0) provided good predictions. These two properties were the best predicted, followed by the S/G ratio (R2 P = 0.84, RMSEP = 0.19, RPD = 2.5) and ASL content (R2 P = 0.81, RMSEP of 0.54, RPD = 2.3). For holocellulose, alphacellulose, and hemicelluloses contents, the models provided approximate predictions. The prediction errors were always less than twice of the laboratory errors except for ASL and S/G ratio. For total extractives and ASL, β-coefficients of models were of approximately the same magnitude throughout the 9000-4000 cm−1 region while for the five other properties, they were higher in the 7500-4000 cm−1 region. Models were also established in narrower NIR regions, and the quality of models obtained was about the same as that of the models based in the 9090-4000 cm−1 wide range. These established robust models can be used to make predictions based on samples of high variability.
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来源期刊
Journal of Wood Chemistry and Technology
Journal of Wood Chemistry and Technology 工程技术-材料科学:纸与木材
CiteScore
3.70
自引率
20.00%
发文量
37
审稿时长
3 months
期刊介绍: The Journal of Wood Chemistry and Technology (JWCT) is focused on the rapid publication of research advances in the chemistry of bio-based materials and products, including all aspects of wood-based polymers, chemicals, materials, and technology. JWCT provides an international forum for researchers and manufacturers working in wood-based biopolymers and chemicals, synthesis and characterization, as well as the chemistry of biomass conversion and utilization. JWCT primarily publishes original research papers and communications, and occasionally invited review articles and special issues. Special issues must summarize and analyze state-of-the-art developments within the field of biomass chemistry, or be in tribute to the career of a distinguished researcher. If you wish to suggest a special issue for the Journal, please email the Editor-in-Chief a detailed proposal that includes the topic, a list of potential contributors, and a time-line.
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