New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples

Li, Zeying; Feng, Na; Li, Xinkang; Lin, Yuan; Zhang, Xiangzhi; Li, Baoqiong

doi:10.3390/molecules27238378

Open AccessArticle

New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples

by

Zeying Li

^†,

Na Feng

^†,

Xinkang Li

,

Yuan Lin

,

Xiangzhi Zhang

and

Baoqiong Li

^*

School of Biotechnology and Health Sciences, Wuyi University, Jiangmen 529020, China

^*

Author to whom correspondence should be addressed.

^†

These authors contributed equally to this work.

Molecules 2022, 27(23), 8378; https://doi.org/10.3390/molecules27238378

Submission received: 9 July 2022 / Revised: 26 August 2022 / Accepted: 20 September 2022 / Published: 1 December 2022

(This article belongs to the Special Issue Fluorescent Probes for Biological Applications)

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Abstract

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.

Keywords: new constructed spectra; N-way partial least squares; partial least squares; quantitative analysis; complex samples

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MDPI and ACS Style

Li, Z.; Feng, N.; Li, X.; Lin, Y.; Zhang, X.; Li, B. New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples. Molecules 2022, 27, 8378. https://doi.org/10.3390/molecules27238378

AMA Style

Li Z, Feng N, Li X, Lin Y, Zhang X, Li B. New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples. Molecules. 2022; 27(23):8378. https://doi.org/10.3390/molecules27238378

Chicago/Turabian Style

Li, Zeying, Na Feng, Xinkang Li, Yuan Lin, Xiangzhi Zhang, and Baoqiong Li. 2022. "New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples" Molecules 27, no. 23: 8378. https://doi.org/10.3390/molecules27238378

APA Style

Li, Z., Feng, N., Li, X., Lin, Y., Zhang, X., & Li, B. (2022). New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples. Molecules, 27(23), 8378. https://doi.org/10.3390/molecules27238378

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New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples

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