{"title":"基于半球样品池和多维光谱法的浑浊溶液浓度检测研究","authors":"","doi":"10.1016/j.saa.2024.125054","DOIUrl":null,"url":null,"abstract":"<div><p>The study developed a hemisphere sample cell and constructed a multidimensional spectroscopy acquisition system to enhance the accuracy of detecting turbid solution with scattering properties. The system simultaneously captures absorption and scattering information from the tested samples. Monte Carlo simulation was employed to model the transmission light intensity distribution data from sample cells of various shapes. It was found that the hemisphere sample cell increases the dimensionality of transmission light intensity information and enables the acquisition of more scattering-related data. Furthermore, 46 samples of intralipid-20% solution with varying concentrations were examined. Models were constructed using partial least squares (PLS) regression with one-dimensional and two-dimensional light intensity distribution data. The results indicate that the model using two-dimensional light intensity distribution data significantly outperforms the model using one-dimensional data, reducing the root mean square error by 39.96% and increasing the correlation coefficient by 0.332%. Experimental results demonstrate that the multidimensional spectroscopic modeling method employing the hemisphere sample cell can significantly enhance the accuracy and speed of detecting chemical composition concentrations in turbid solution.</p></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":null,"pages":null},"PeriodicalIF":4.3000,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Investigation on concentration detection of turbid solution based on hemisphere sample cell and multidimensional spectroscopy\",\"authors\":\"\",\"doi\":\"10.1016/j.saa.2024.125054\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The study developed a hemisphere sample cell and constructed a multidimensional spectroscopy acquisition system to enhance the accuracy of detecting turbid solution with scattering properties. The system simultaneously captures absorption and scattering information from the tested samples. Monte Carlo simulation was employed to model the transmission light intensity distribution data from sample cells of various shapes. It was found that the hemisphere sample cell increases the dimensionality of transmission light intensity information and enables the acquisition of more scattering-related data. Furthermore, 46 samples of intralipid-20% solution with varying concentrations were examined. Models were constructed using partial least squares (PLS) regression with one-dimensional and two-dimensional light intensity distribution data. The results indicate that the model using two-dimensional light intensity distribution data significantly outperforms the model using one-dimensional data, reducing the root mean square error by 39.96% and increasing the correlation coefficient by 0.332%. Experimental results demonstrate that the multidimensional spectroscopic modeling method employing the hemisphere sample cell can significantly enhance the accuracy and speed of detecting chemical composition concentrations in turbid solution.</p></div>\",\"PeriodicalId\":433,\"journal\":{\"name\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2024-08-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1386142524012204\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1386142524012204","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
Investigation on concentration detection of turbid solution based on hemisphere sample cell and multidimensional spectroscopy
The study developed a hemisphere sample cell and constructed a multidimensional spectroscopy acquisition system to enhance the accuracy of detecting turbid solution with scattering properties. The system simultaneously captures absorption and scattering information from the tested samples. Monte Carlo simulation was employed to model the transmission light intensity distribution data from sample cells of various shapes. It was found that the hemisphere sample cell increases the dimensionality of transmission light intensity information and enables the acquisition of more scattering-related data. Furthermore, 46 samples of intralipid-20% solution with varying concentrations were examined. Models were constructed using partial least squares (PLS) regression with one-dimensional and two-dimensional light intensity distribution data. The results indicate that the model using two-dimensional light intensity distribution data significantly outperforms the model using one-dimensional data, reducing the root mean square error by 39.96% and increasing the correlation coefficient by 0.332%. Experimental results demonstrate that the multidimensional spectroscopic modeling method employing the hemisphere sample cell can significantly enhance the accuracy and speed of detecting chemical composition concentrations in turbid solution.
期刊介绍:
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science.
The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments.
Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate.
Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to:
Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences,
Novel experimental techniques or instrumentation for molecular spectroscopy,
Novel theoretical and computational methods,
Novel applications in photochemistry and photobiology,
Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.