Front-face excitation-emission matrix fluorescence spectroscopy combined with interpretable deep learning for the rapid identification of the storage year of Ningxia wolfberry.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
PMID:

Abstract

Ningxia wolfberry stored for many years may be disguised as fresh wolfberry by unscrupulous traders and sold for huge profits. In this work, the front-face excitation-emission matrix (FF-EEM) fluorescence spectroscopy coupled with interpretable deep learning was proposed to identify the storage year of Ningxia wolfberry in a lossless, fast and accurate way. Alternating trilinear decomposition (ATLD) algorithm was used to decompose the three-way data array obtained by Ningxia wolfberry samples, extracting the chemically meaningful information. Meanwhile, a convolutional neural network (CNN) model for the identification of the storage year of Ningxia wolfberry, called EEMnet, was proposed. The model successfully classified wolfberry samples from different storage years by extracting the subtle feature differences of the spectra, and the correct classification rate of the training set, test set and prediction set was more than 98%. In addition, a series of interpretability analyses were implemented to break the "black box" of the deep learning model. These results indicated that the method based on FF-EEM fluorescence spectroscopy combined with EEMnet could quickly and accurately identify the year of Ningxia wolfberry in a green way, providing a new idea for the identification of the storage years of Chinese medicinal materials.

Authors

  • Xiao-Qin Yan
    State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, PR China.
  • Hai-Long Wu
    State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, PR China. Electronic address: hlwu@hnu.edu.cn.
  • Bin Wang
    State Key Laboratory of Soil Erosion and Dryland Farming on the Loess Plateau, Northwest A&F University, Yangling 712100, China; New South Wales Department of Primary Industries, Wagga Wagga Agricultural Institute, Wagga Wagga 2650, Australia. Electronic address: bin.a.wang@dpi.nsw.gov.au.
  • Tong Wang
    School of Public Health, Shanxi Medical University, Taiyuan 030000, China; Key Laboratory of Coal Environmental Pathogenicity and Prevention (Shanxi Medical University), Ministry of Education, Taiyuan 030000, China.
  • Yao Chen
    Department of Galactophore Surgery, West China Hospital, Sichuan University, Chengdu, 610041, PR China.
  • An-Qi Chen
    State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, PR China.
  • Kun Huang
    Department of Biomedical Informatics, The Ohio State University, Columbus, OH, 43210, USA. Kun.Huang@osumc.edu.
  • Yue-Yue Chang
    State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, PR China.
  • Jian Yang
    Drug Discovery and Development Research Group, College of Pharmacy and Nutrition, University of Saskatchewan, Saskatoon, SK, Canada.
  • Ru-Qin Yu
    State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, China.