{"title":"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","authors":"Xin Wang, Qiaoling Du, Hongmei Wang","doi":"10.1039/d5ay01268f","DOIUrl":null,"url":null,"abstract":"<p><p>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 <i>R</i><sup>2</sup> of 0.9982 and an RMSE of 0.2629 mg L<sup>-1</sup> for standard samples, and an <i>R</i><sup>2</sup> of 0.9663 and an RMSE of 0.7835 mg L<sup>-1</sup> 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.</p>","PeriodicalId":64,"journal":{"name":"Analytical Methods","volume":" ","pages":""},"PeriodicalIF":2.6000,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A quantitative prediction strategy for UV-vis spectroscopy of nitrate in water based on a difference spectrum-hybrid prediction model.\",\"authors\":\"Xin Wang, Qiaoling Du, Hongmei Wang\",\"doi\":\"10.1039/d5ay01268f\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>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 <i>R</i><sup>2</sup> of 0.9982 and an RMSE of 0.2629 mg L<sup>-1</sup> for standard samples, and an <i>R</i><sup>2</sup> of 0.9663 and an RMSE of 0.7835 mg L<sup>-1</sup> 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.</p>\",\"PeriodicalId\":64,\"journal\":{\"name\":\"Analytical Methods\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":2.6000,\"publicationDate\":\"2025-10-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Analytical Methods\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1039/d5ay01268f\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Analytical Methods","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/d5ay01268f","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
A quantitative prediction strategy for UV-vis spectroscopy of nitrate in water based on a difference spectrum-hybrid prediction model.
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.