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基于神经网络的一次性光学舌片在重金属识别和测定中的可行性。

Feasibility of the use of disposable optical tongue based on neural networks for heavy metal identification and determination.

机构信息

Department of Analytical Chemistry, University of Granada, Faculty of Sciences, Granada, Spain.

出版信息

Anal Chim Acta. 2013 Jun 14;783:56-64. doi: 10.1016/j.aca.2013.04.035. Epub 2013 Apr 26.

Abstract

This study presents the development and characterization of a disposable optical tongue for the simultaneous identification and determination of the heavy metals Zn(II), Cu(II) and Ni(II). The immobilization of two chromogenic reagents, 1-(2-pyridylazo)-2-naphthol and Zincon, and their arrangement forms an array of membranes that work by complexation through a co-extraction equilibrium, producing distinct changes in color in the presence of heavy metals. The color is measured from the image of the tongue acquired by a scanner working in transmission mode using the H parameter (hue) of the HSV color space, which affords robust and precise measurements. The use of artificial neural networks (ANNs) in a two-stage approach based on color parameters, the H feature of the array, makes it possible to identify and determine the analytes. In the first stage, the metals present above a threshold of 10(-7) M are identified with 96% success, regardless of the number of metals present, using the H feature of the two membranes. The second stage reuses the H features in combination with the results of the classification procedure to estimate the concentration of each analyte in the solution with acceptable error. Statistical tests were applied to validate the model over real data, showing a high correlation between the reference and predicted heavy metal ion concentration.

摘要

本研究提出了一种用于同时识别和测定重金属 Zn(II)、Cu(II) 和 Ni(II) 的一次性光学舌的开发和特性。两种显色试剂 1-(2-吡啶偶氮)-2-萘酚和 Zincon 的固定化及其排列形式构成了一组膜,通过共萃取平衡进行络合,在存在重金属时产生明显的颜色变化。颜色是通过使用 HSV 颜色空间的 H 参数(色调)以透射模式工作的扫描仪获取的舌图像进行测量的,这提供了稳健而精确的测量。基于颜色参数和阵列的 H 特征,使用人工神经网络 (ANN) 进行两阶段方法,使得可以识别和测定分析物。在第一阶段,使用两种膜的 H 特征,可以成功识别出浓度高于 10(-7) M 的金属,无论存在多少种金属,成功率均为 96%。第二阶段重新使用 H 特征并结合分类过程的结果来估计溶液中每种分析物的浓度,误差可接受。统计检验应用于验证实际数据上的模型,表明参考和预测的重金属离子浓度之间具有高度相关性。

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