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Determination of Humic Acids Content in Composts by Means of Near- and Mid-Infrared Spectroscopy and Partial Least Squares Regression Models

机译:近红外和中红外光谱法和偏最小二乘回归模型测定堆肥中腐殖酸的含量

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摘要

Humic acids are part of the stable organic matter fraction in soils and composts. Due to their favorable properties for soils and plants, and their role in carbon sequestration, they are considered a quality criterion of composts. Time-consuming chemical extraction of humic acids and the inherent source of errors require alternative approaches for humic acids quantification. Different measurement techniques in the mid-infrared (MIR: KBr pellet technique) and near-infrared (NIR: fiber probe as well as an integrating sphere with a sample rotator) regions were applied. Partial least squares regression (PLSR) models based on infrared spectra were developed to determine humic acids contents in composts. As the wavenumber regions used (NIR: 6105–5380 cm−1 and 4360–4220 cm−1, MIR: 1745–1685 cm−1 and 1610–1567 cm−1) represent different molecular vibrations, the importance of the methylene-group-derived vibrations for the NIR models is discussed. The correlation coefficients obtained for the KBr pellet technique, the NIR fiber probe technique, and the NIR integrating sphere (r = 0.94, 0.93, and 0.94) and the root mean square errors of cross-validation (RMSECV = 2.2% organic dry matter (ODM), 2.5% ODM, and 2.2% ODM) make the models appropriate for application in composting practice.
机译:腐殖酸是土壤和堆肥中稳定的有机物部分的一部分。由于它们对土壤和植物的有利特性,以及它们在固碳中的作用,它们被视为堆肥的质量标准。腐殖酸的化学提取很费时,而且内在的误差源要求对腐殖酸进行定量分析。在中红外(MIR:KBr沉淀技术)和近红外(NIR:光纤探针以及带有样品旋转器的积分球)区域中应用了不同的测量技术。建立了基于红外光谱的偏最小二乘回归(PLSR)模型来确定堆肥中腐殖酸的含量。作为所使用的波数区域(NIR:6105–5380 cm -1 和4360–4220 cm -1 ,MIR:1745–1685 cm -1 和1610–1567 cm −1 )代表不同的分子振动,讨论了亚甲基衍生振动对NIR模型的重要性。 KBr颗粒技术,NIR纤维探针技术和NIR积分球(r = 0.94、0.93和0.94)的相关系数以及交叉验证的均方根误差(RMSECV = 2.2%有机干物质( ODM),2.5%ODM和2.2%ODM)使模型适合堆肥实践。

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    《Applied Spectroscopy》 |2008年第8期|873-880|共8页
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