A quantitative prediction strategy for UV-vis spectroscopy of nitrate in water based on a difference spectrum-hybrid prediction model.

IF 2.6 3区 化学 Q2 CHEMISTRY, ANALYTICAL
Xin Wang, Qiaoling Du, Hongmei Wang
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引用次数: 0

Abstract

Due to spectral influence caused by turbidity, the accuracy of nitrate quantification using UV-vis spectroscopy remains challenging. This study proposes an integrated method combining UV-vis spectroscopy, difference spectrum analysis, and a hybrid prediction model to address this issue. By analyzing the linear relationship between the difference spectrum and turbidity, a novel turbidity compensation strategy-the Mixed Difference Nitrate Method (MDNM)-was developed. Subsequently, a hybrid prediction framework integrating linear regression and threshold-based waveband selection was employed to enhance modeling accuracy. Experimental results on both standard and natural water samples demonstrate that the method achieves high accuracy and generalization ability, with an R2 of 0.9982 and an RMSE of 0.2629 mg L-1 for standard samples, and an R2 of 0.9663 and an RMSE of 0.7835 mg L-1 for natural water samples. The proposed method offers a simple, effective, and low-cost strategy for nitrate detection in turbid water, with significant potential for practical environmental monitoring and water quality assessment.

基于差谱-混合预测模型的水中硝酸盐紫外-可见光谱定量预测策略
由于浊度对光谱的影响,使用紫外可见光谱法定量硝酸盐的准确性仍然具有挑战性。本研究提出了一种结合紫外可见光谱、差谱分析和混合预测模型的综合方法来解决这一问题。通过分析差谱与浊度之间的线性关系,提出了一种新的浊度补偿策略——混合差分硝酸盐法(MDNM)。随后,采用线性回归和基于阈值的波段选择相结合的混合预测框架来提高建模精度。标准水样和天然水样的实验结果表明,该方法具有较高的准确度和泛化能力,标准水样的R2为0.9982,RMSE为0.2629 mg L-1,天然水样的R2为0.9663,RMSE为0.7835 mg L-1。该方法为浑浊水中硝酸盐的检测提供了一种简单、有效、低成本的方法,在实际环境监测和水质评价中具有重要的应用潜力。
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来源期刊
Analytical Methods
Analytical Methods CHEMISTRY, ANALYTICAL-FOOD SCIENCE & TECHNOLOGY
CiteScore
5.10
自引率
3.20%
发文量
569
审稿时长
1.8 months
期刊介绍: Early applied demonstrations of new analytical methods with clear societal impact
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