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Fast Determination of Copper Content in Tobacco (Nicotina tabacum L.) Leaves Using Laser-Induced Breakdown Spectroscopy with Univariate and Multivariate Analysis

机译:快速测定烟草(尼古罗纳Tabacum L.)含铜含量,使用激光诱导的分解光谱与单变量和多变量分析

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摘要

Fast and effective measures to determine heavy metals play an important role in ensuring food quality and safety. In this experiment, laser-induced breakdown spectroscopy (LIBS) was used to detect copper content (Cu) in tobacco (Nicotina tabacum L.) leaves. The experimental parameters for detection, including laser energy, delay time, and camera gate width, were optimized by response surface methodology (RSM). Univariate analysis and multivariate analysis, including partial least squares regression (PLSR) and extreme learning machine (ELM), were used to establish calibration models. In addition, different preprocessing methods were used to eliminate the signal variations and further improve the calibration performance, including baseline correction, background normalization, area normalization, and standard normal variate (SNV) normalization. The results showed that LIBS combined with both univariate and multivariate methods could be used to detect copper content in tobacco leaves. SNV and area normalization were efficient in dealing with signal variations and improving the calibration performance. The ELM model with SNV normalized variables in the spectral region of 324.02 to 325.98 nm achieved the best performance (R-2 = 0.9552 and RMSE = 4.8416 mg kg(-1) in the testing set). The results provide the first proof-of-principle data for fast determination of copper content in tobacco leaves.
机译:在确保食品质量和安全方面,确定重金属的快速有效措施在确保食物质量和安全方面发挥着重要作用。在该实验中,激光诱导的击穿光谱(Libs)用于检测烟草中的铜含量(Cu)叶片。通过响应表面方法(RSM)优化了检测的实验参数,包括激光能量,延迟时间和相机栅极宽度。单变量分析和多变量分析,包括偏最小二乘回归(PLSR)和极端学习机(ELM)来建立校准模型。此外,使用不同的预处理方法来消除信号变化并进一步提高校准性能,包括基线校正,背景归一化,面积标准化和标准正常变化(SNV)归一化。结果表明,Libs与单变量和多变量方法相结合,可用于检测烟叶中的铜含量。 SNV和面积标准化在处理信号变化和提高校准性能方面是有效的。具有324.02至325.98 nm的光谱区域中的SNV归一化变量的ELM模型实现了测试集中的最佳性能(R-2 = 0.9552和RMSE = 4.8416 mg kg(-1)。结果提供了第一种原理上的基本原理数据,用于快速测定烟叶中的铜含量。

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