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可见-近红外光谱结合化学计量学分析咖啡和香蕉残渣中一些成分的潜力。

Potential of visible-near infrared spectroscopy combined with chemometrics for analysis of some constituents of coffee and banana residues.

机构信息

Institute of Chemistry, University of Campinas-UNICAMP, Campinas, SP, Brazil.

出版信息

Anal Chim Acta. 2013 May 2;775:41-9. doi: 10.1016/j.aca.2013.03.015. Epub 2013 Mar 13.

Abstract

Banana (stalk, leaf, rhizome, rachis and stem) and coffee (leaf and husks) residues are promising feedstock for fuel and chemical production. In this work we show the potential of near-infrared spectroscopy (NIR) and multivariate analysis to replace reference methods in the characterization of some constituents of coffee and banana residues. The evaluated parameters were Klason lignin (KL), acid soluble lignin (ASL), total lignin (TL), extractives, moisture, ash and acid insoluble residue (AIR) contents of 104 banana residues (B) and 102 coffee (C) residues from Brazil. PLS models were built for banana (B), coffee (C) and pooled samples (B+C). The precision of NIR methodology was better (p<0.05) than the reference method for almost all the parameters, being worse for moisture. With the exception of ash (B and C) and ASL (C) content, which was predicted poorly (R(2)<0.80), the models for all the analytes exhibited R(2)>0.80. The range error ratios varied from 4.5 to 16.0. Based on the results of external validation, the statistical tests and figures of merit, NIR spectroscopy proved to be useful for chemical prediction of banana and coffee residues and can be used as a faster and more economical alternative to the standard methodologies.

摘要

香蕉(茎、叶、根茎、穗轴和茎)和咖啡(叶和壳)残渣是很有前途的燃料和化学品生产原料。在这项工作中,我们展示了近红外光谱(NIR)和多元分析在表征咖啡和香蕉残渣某些成分方面替代参考方法的潜力。评估的参数包括巴西 104 个香蕉残渣(B)和 102 个咖啡残渣(C)的 Klason 木质素(KL)、酸溶性木质素(ASL)、总木质素(TL)、提取物、水分、灰分和酸不溶残渣(AIR)含量。为香蕉(B)、咖啡(C)和混合样本(B+C)建立了 PLS 模型。对于几乎所有参数,NIR 方法的精度(p<0.05)均优于参考方法,除了水分外。除了灰分(B 和 C)和 ASL(C)含量预测不佳(R(2)<0.80)外,所有分析物的模型均表现出 R(2)>0.80。范围误差比从 4.5 到 16.0 不等。基于外部验证的结果、统计测试和度量标准,NIR 光谱被证明可用于预测香蕉和咖啡残渣的化学性质,并且可以作为比标准方法更快、更经济的替代方法。

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