Machine Learning Algorithms for Intelligent Decision Recognition and Quantification of Cr(III) in Chromium Speciation

IF 6.7 1区 化学 Q1 CHEMISTRY, ANALYTICAL
Yunfei Lu, Xin Li, Long Yu*, Songlin Zhang, Degui Wang, Xiangyang Hao, Mingtai Sun and Suhua Wang*, 
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Abstract

Cr(III) is a common oxidation state of chromium, and its presence in the environment can occur naturally or as a result of human activities, such as industrial processes, mining, and waste disposal. This article explores the application of machine learning algorithms for the intelligent decision recognition and quantification of Cr(III) in chromium speciation. Three different machine learning models, namely, the Decision Tree (DT) model, the PCA-SVM (Principal Component Analysis-Support Vector Machine) model, and the LDA (Linear Discriminant Analysis) model, were employed and evaluated for accurate and efficient classification of chromium concentrations based on their fluorescence responses. Furthermore, stepwise multiple linear regression analysis was utilized to achieve a more precise quantification of trivalent chromium concentrations through fluorescence visualization. The results demonstrate the potential of machine learning algorithms in accurately detecting and quantifying Cr(III) in chromium speciation with implications for environmental and industrial applications in chromium detection and quantification. The findings from this research pave the way for further exploration and implementation of these models in real-world scenarios, offering valuable insights into various environmental and industrial contexts.

Abstract Image

Abstract Image

用于智能决策识别和定量分析铬标样中的 Cr(III) 的机器学习算法
铬(III)是铬的一种常见氧化态,它在环境中的存在可能是自然形成的,也可能是人类活动(如工业加工、采矿和废物处理)的结果。本文探讨了如何应用机器学习算法对铬(III)进行智能决策识别和量化。本文采用了三种不同的机器学习模型,即决策树(DT)模型、PCA-SVM(主成分分析-支持向量机)模型和 LDA(线性判别分析)模型,并对其进行了评估,以根据荧光反应对铬浓度进行准确、高效的分类。此外,还利用逐步多元线性回归分析,通过荧光可视化对三价铬浓度进行更精确的量化。研究结果表明,机器学习算法在准确检测和量化铬标样中的三(III)铬方面具有潜力,对铬检测和量化方面的环境和工业应用具有重要意义。这项研究的结果为进一步探索和在现实世界中实施这些模型铺平了道路,为各种环境和工业环境提供了宝贵的见解。
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来源期刊
Analytical Chemistry
Analytical Chemistry 化学-分析化学
CiteScore
12.10
自引率
12.20%
发文量
1949
审稿时长
1.4 months
期刊介绍: Analytical Chemistry, a peer-reviewed research journal, focuses on disseminating new and original knowledge across all branches of analytical chemistry. Fundamental articles may explore general principles of chemical measurement science and need not directly address existing or potential analytical methodology. They can be entirely theoretical or report experimental results. Contributions may cover various phases of analytical operations, including sampling, bioanalysis, electrochemistry, mass spectrometry, microscale and nanoscale systems, environmental analysis, separations, spectroscopy, chemical reactions and selectivity, instrumentation, imaging, surface analysis, and data processing. Papers discussing known analytical methods should present a significant, original application of the method, a notable improvement, or results on an important analyte.
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