{"title":"基于SERS光谱和自适应局部加权可见图像结合并行自加权图神经网络的海水总磷浓度检测","authors":"Ying Chen, Chenglong Wang, Tianyu Zhang, Zhixin Sun, Qiguang Zhu, Liyong Niu, Dandan Zhu","doi":"10.1016/j.snb.2025.138271","DOIUrl":null,"url":null,"abstract":"Seawater eutrophication is a major global challenge for marine ecosystems, and accurate determination of total phosphorus (TP) concentration is crucial for monitoring and mitigating eutrophication. However, traditional detection methods often suffer from high costs, operational complexity, or limited detection sensitivity. To address these limitations, this study proposes a method for detecting TP in seawater based on surface-enhanced Raman spectroscopy (SERS) and graph neural networks (GNN). First, rhodamine 6<!-- --> <!-- -->G (R6G)-modified silver nanoparticles (AgNPs) were utilized as the SERS active substrate to indirectly invert the total phosphorus concentration by combining the chemical products of phosphate ions and ammonium molybdate. Then, an Adaptive Local Weighted Visibility Graph (ALWVG) method was applied to transform SERS data, enhancing both local and global spectral features. Furthermore, a Parallel Self-Weighted Graph Neural Network (PSWGNN) was constructed, incorporating spectral chemical feature partitioning to achieve high-precision TP concentration prediction. Experimental results demonstrate that the proposed method achieves excellent detection performance in the 0–100<!-- --> <!-- -->µg/L concentration range, with the R² of 0.996, the RMSE of 1.652<!-- --> <!-- -->µg/L, the MAE of 1.138<!-- --> <!-- -->µg/L, and the recoveries ranged from 97.20%-102.77%. Compared to traditional methods, this approach offers higher sensitivity, broader applicability, and better adaptation to complex aquatic environments. The findings suggest that the TP detection system based on SERS and ALWVG-PSWGNN provides an efficient, low-cost, accurate, and scalable solution for marine eutrophication monitoring.","PeriodicalId":425,"journal":{"name":"Sensors and Actuators B: Chemical","volume":"12 1","pages":""},"PeriodicalIF":8.0000,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Detection of Total Phosphorus Concentration in Seawater Based on SERS Spectroscopy and Adaptive Locally Weighted Visible Image Combined with Parallel Self Weighted Graph Neural Network\",\"authors\":\"Ying Chen, Chenglong Wang, Tianyu Zhang, Zhixin Sun, Qiguang Zhu, Liyong Niu, Dandan Zhu\",\"doi\":\"10.1016/j.snb.2025.138271\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Seawater eutrophication is a major global challenge for marine ecosystems, and accurate determination of total phosphorus (TP) concentration is crucial for monitoring and mitigating eutrophication. However, traditional detection methods often suffer from high costs, operational complexity, or limited detection sensitivity. To address these limitations, this study proposes a method for detecting TP in seawater based on surface-enhanced Raman spectroscopy (SERS) and graph neural networks (GNN). First, rhodamine 6<!-- --> <!-- -->G (R6G)-modified silver nanoparticles (AgNPs) were utilized as the SERS active substrate to indirectly invert the total phosphorus concentration by combining the chemical products of phosphate ions and ammonium molybdate. Then, an Adaptive Local Weighted Visibility Graph (ALWVG) method was applied to transform SERS data, enhancing both local and global spectral features. Furthermore, a Parallel Self-Weighted Graph Neural Network (PSWGNN) was constructed, incorporating spectral chemical feature partitioning to achieve high-precision TP concentration prediction. Experimental results demonstrate that the proposed method achieves excellent detection performance in the 0–100<!-- --> <!-- -->µg/L concentration range, with the R² of 0.996, the RMSE of 1.652<!-- --> <!-- -->µg/L, the MAE of 1.138<!-- --> <!-- -->µg/L, and the recoveries ranged from 97.20%-102.77%. Compared to traditional methods, this approach offers higher sensitivity, broader applicability, and better adaptation to complex aquatic environments. The findings suggest that the TP detection system based on SERS and ALWVG-PSWGNN provides an efficient, low-cost, accurate, and scalable solution for marine eutrophication monitoring.\",\"PeriodicalId\":425,\"journal\":{\"name\":\"Sensors and Actuators B: Chemical\",\"volume\":\"12 1\",\"pages\":\"\"},\"PeriodicalIF\":8.0000,\"publicationDate\":\"2025-07-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Sensors and Actuators B: Chemical\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1016/j.snb.2025.138271\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Sensors and Actuators B: Chemical","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1016/j.snb.2025.138271","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Detection of Total Phosphorus Concentration in Seawater Based on SERS Spectroscopy and Adaptive Locally Weighted Visible Image Combined with Parallel Self Weighted Graph Neural Network
Seawater eutrophication is a major global challenge for marine ecosystems, and accurate determination of total phosphorus (TP) concentration is crucial for monitoring and mitigating eutrophication. However, traditional detection methods often suffer from high costs, operational complexity, or limited detection sensitivity. To address these limitations, this study proposes a method for detecting TP in seawater based on surface-enhanced Raman spectroscopy (SERS) and graph neural networks (GNN). First, rhodamine 6 G (R6G)-modified silver nanoparticles (AgNPs) were utilized as the SERS active substrate to indirectly invert the total phosphorus concentration by combining the chemical products of phosphate ions and ammonium molybdate. Then, an Adaptive Local Weighted Visibility Graph (ALWVG) method was applied to transform SERS data, enhancing both local and global spectral features. Furthermore, a Parallel Self-Weighted Graph Neural Network (PSWGNN) was constructed, incorporating spectral chemical feature partitioning to achieve high-precision TP concentration prediction. Experimental results demonstrate that the proposed method achieves excellent detection performance in the 0–100 µg/L concentration range, with the R² of 0.996, the RMSE of 1.652 µg/L, the MAE of 1.138 µg/L, and the recoveries ranged from 97.20%-102.77%. Compared to traditional methods, this approach offers higher sensitivity, broader applicability, and better adaptation to complex aquatic environments. The findings suggest that the TP detection system based on SERS and ALWVG-PSWGNN provides an efficient, low-cost, accurate, and scalable solution for marine eutrophication monitoring.
期刊介绍:
Sensors & Actuators, B: Chemical is an international journal focused on the research and development of chemical transducers. It covers chemical sensors and biosensors, chemical actuators, and analytical microsystems. The journal is interdisciplinary, aiming to publish original works showcasing substantial advancements beyond the current state of the art in these fields, with practical applicability to solving meaningful analytical problems. Review articles are accepted by invitation from an Editor of the journal.