New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples
Excitation–emission matrix (EEM) fluorescence spectroscopy has been applied to many fields. In this study, a simple method was proposed to obtain the new constructed three-dimensional (3D) EEM spectra based on the original EEM spectra. Then, the application of the N-PLS method to the new constructed...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-12-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/23/8378 |
| _version_ | 1797462691137191936 |
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| author | Zeying Li Na Feng Xinkang Li Yuan Lin Xiangzhi Zhang Baoqiong Li |
| author_facet | Zeying Li Na Feng Xinkang Li Yuan Lin Xiangzhi Zhang Baoqiong Li |
| author_sort | Zeying Li |
| collection | DOAJ |
| description | Excitation–emission matrix (EEM) fluorescence spectroscopy has been applied to many fields. In this study, a simple method was proposed to obtain the new constructed three-dimensional (3D) EEM spectra based on the original EEM spectra. Then, the application of the N-PLS method to the new constructed 3D EEM spectra was proposed to quantify target compounds in two complex data sets. The quantitative models were established on external sample sets and validated using statistical parameters. For validation purposes, the obtained results were compared with those obtained by applying the N-PLS method to the original EEM spectra and applying the PLS method to the extracted maximum spectra in the concatenated mode. The comparison of the results demonstrated that, given the advantages of less useless information and a high calculating speed of the new constructed 3D EEM spectra, N-PLS on the new constructed 3D EEM spectra obtained better quantitative analysis results with a correlation coefficient of prediction above 0.9906 and recovery values in the range of 85.6–95.6%. Therefore, one can conclude that the N-PLS method combined with the new constructed 3D EEM spectra is expected to be broadened as an alternative strategy for the simultaneous determination of multiple target compounds. |
| first_indexed | 2024-03-09T17:40:14Z |
| format | Article |
| id | doaj.art-fa3c71cba0304339b4cc0e2f44ee2ce5 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T17:40:14Z |
| publishDate | 2022-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-fa3c71cba0304339b4cc0e2f44ee2ce52023-11-24T11:41:16ZengMDPI AGMolecules1420-30492022-12-012723837810.3390/molecules27238378New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex SamplesZeying Li0Na Feng1Xinkang Li2Yuan Lin3Xiangzhi Zhang4Baoqiong Li5School of Biotechnology and Health Sciences, Wuyi University, Jiangmen 529020, ChinaSchool of Biotechnology and Health Sciences, Wuyi University, Jiangmen 529020, ChinaSchool of Biotechnology and Health Sciences, Wuyi University, Jiangmen 529020, ChinaSchool of Biotechnology and Health Sciences, Wuyi University, Jiangmen 529020, ChinaSchool of Biotechnology and Health Sciences, Wuyi University, Jiangmen 529020, ChinaSchool of Biotechnology and Health Sciences, Wuyi University, Jiangmen 529020, ChinaExcitation–emission matrix (EEM) fluorescence spectroscopy has been applied to many fields. In this study, a simple method was proposed to obtain the new constructed three-dimensional (3D) EEM spectra based on the original EEM spectra. Then, the application of the N-PLS method to the new constructed 3D EEM spectra was proposed to quantify target compounds in two complex data sets. The quantitative models were established on external sample sets and validated using statistical parameters. For validation purposes, the obtained results were compared with those obtained by applying the N-PLS method to the original EEM spectra and applying the PLS method to the extracted maximum spectra in the concatenated mode. The comparison of the results demonstrated that, given the advantages of less useless information and a high calculating speed of the new constructed 3D EEM spectra, N-PLS on the new constructed 3D EEM spectra obtained better quantitative analysis results with a correlation coefficient of prediction above 0.9906 and recovery values in the range of 85.6–95.6%. Therefore, one can conclude that the N-PLS method combined with the new constructed 3D EEM spectra is expected to be broadened as an alternative strategy for the simultaneous determination of multiple target compounds.https://www.mdpi.com/1420-3049/27/23/8378new constructed spectraN-way partial least squarespartial least squaresquantitative analysiscomplex samples |
| spellingShingle | Zeying Li Na Feng Xinkang Li Yuan Lin Xiangzhi Zhang Baoqiong Li New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples Molecules new constructed spectra N-way partial least squares partial least squares quantitative analysis complex samples |
| title | New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples |
| title_full | New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples |
| title_fullStr | New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples |
| title_full_unstemmed | New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples |
| title_short | New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples |
| title_sort | new constructed eem spectra combined with n pls analysis approach as an effective way to determine multiple target compounds in complex samples |
| topic | new constructed spectra N-way partial least squares partial least squares quantitative analysis complex samples |
| url | https://www.mdpi.com/1420-3049/27/23/8378 |
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