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Multivariate calibration applied to a highly interfering chemical system - The simultaneous spectrophotometric determination of aluminium and iron in plants using xylenol orange and partial least-squares regression

机译:多变量校准应用于高度干扰的化学系统-使用二甲酚橙和偏最小二乘回归同时分光光度法测定植物中的铝和铁

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A partial least squares (PLS) calibration model was developed for the simultaneous spectrophotometric determination of Al and Fe in plant extracts by using an excess of xylenol orange as the cromogenic reagent. Experimental conditions were established to reduce interferences, decrease system complexity and produce a robust procedure that could be used for routine analysis. The spectra should be recorded from 2 to 4h after mixing the reagents. Ethanolic solutions were used to improve the formation of the Al-XO complexes. The best calibration model was obtained using the PLS-2 algorithm after mean centering the data with five latent variables. Under the experimental conditions adopted, only Zn was found to be a potential interfering species with the plant extracts used. Validation of the proposed spectrophotometric method was performed by running nine plant samples from the 1997 International Plant-Analytical Exchange (IPE) which were also analyzed by ICP-AES for further correlation. The proposed procedure showed to be useful for prediction of Al and Fe values from 12.5 to 2500 mg kg(-1) in plant dry weight basis. (C) 2000 Elsevier Science B.V. All rights reserved. [References: 30]
机译:通过使用过量的二甲苯酚橙作为生色剂,建立了偏最小二乘(PLS)校准模型,用于同时分光光度法测定植物提取物中的铝和铁。建立了实验条件以减少干扰,降低系统复杂性并产生可用于常规分析的可靠程序。混合试剂后2至4小时应记录光谱。乙醇溶液用于改善Al-XO配合物的形成。使用五个潜在变量对数据进行平均居中后,使用PLS-2算法获得了最佳校准模型。在所采用的实验条件下,仅发现锌是所用植物提取物的潜在干扰物种。通过运行来自1997年国际植物分析交易所(IPE)的9个植物样品进行了提议的分光光度法的验证,这些样品也通过ICP-AES进行了分析,以进行进一步的关联。所提出的方法对于以植物干重为基础预测12.5至2500 mg kg(-1)的Al和Fe值非常有用。 (C)2000 Elsevier Science B.V.保留所有权利。 [参考:30]

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