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采用人工神经网络和响应面法结合实验设计优化固相萃取,结合原子吸收光谱法测定工业废水中的金。

Optimization of solid-phase extraction using artificial neural networks and response surface methodology in combination with experimental design for determination of gold by atomic absorption spectrometry in industrial wastewater samples.

机构信息

Department of Chemistry, Shahid Beheshti University, G. C., Tehran, 198396311, Iran.

出版信息

Talanta. 2012 Aug 15;97:211-7. doi: 10.1016/j.talanta.2012.04.019. Epub 2012 Apr 12.

Abstract

Solid-phase extraction (SPE) is often used for preconcentration and determination of metal ions from industrial and natural samples. A traditional single variable approach (SVA) is still often carried out for optimization in analytical chemistry. Since there is always a risk of not finding the real optimum by single variation method, more advanced optimization approaches such as multivariable approach (MVA) should be applied. Applying MVA optimization can save both time and chemical materials, and consequently decrease analytical costs. Nowadays, using artificial neural network (ANN) and response surface methodology (RSM) in combination with experimental design (MVA) are rapidly developing. After prediction of model equation in RSM and training of artificial neurons in ANNs, the products were used for estimation of the response of the 27 experimental runs. In the present work, the optimization of SPE using single variation method and optimization by ANN and RSM in combination with central composite design (CCD) are compared and the latter approach is practically illustrated.

摘要

固相萃取(SPE)常用于从工业和自然样品中预浓缩和测定金属离子。在分析化学中,传统的单变量方法(SVA)仍然经常用于优化。由于单变量方法存在找不到真正最优解的风险,因此应该采用更先进的优化方法,如多变量方法(MVA)。应用 MVA 优化可以节省时间和化学物质,从而降低分析成本。如今,人工神经网络(ANN)和响应面法(RSM)与实验设计(MVA)结合使用正在迅速发展。在 RSM 中预测模型方程并在 ANN 中训练人工神经元后,将这些产品用于估计 27 次实验运行的响应。在本工作中,比较了使用单变量方法和 ANN 和 RSM 结合中心复合设计(CCD)进行 SPE 优化的方法,并实际说明了后者的方法。

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