Intelligent sensory technologies, NIR spectroscopy and chemometrics combined with machine learning based on multi-source data fusion for comprehensive evaluation of Sinapis Semen in different processing degrees.

Journal: Journal of pharmaceutical and biomedical analysis
Published Date:

Abstract

Sinapis Semen, as a traditional Chinese medicine, has an unclear relationship between its stir-frying degrees and sensory characteristics. Therefore, it is essential to develop a multi-index evaluation method to classify the processing degree of Sinapis Semen. Based on diverse intelligent sensory technologies and chemical analysis, the features of "color-aroma-taste-quality" of raw and stir-frying Sinapis Semen were systematically collected and objectively characterized, establishing discriminative models by integrating with machine learning. The results indicated that as the stir-frying increased, the overall color brightness diminished, the volatile constituents of sulfides and aromatic compounds exhibited a significant increase, and the taste discrepancies were primarily concentrated in saltiness, astringency, and sourness, which were related to the alkaloids and polyphenols contained in Sinapis Semen. Three machine learning models were employed to evaluate and compare their performance. TabTransformer achieved an accuracy of 96.92 % in single-source modeling using the NIRS data; on the fused dataset, TabTransformer and MLP attained accuracies of 100 % and 98.33 %, respectively, demonstrating the effective integration in handling multidimensional information from diverse data sources. This research successfully developed discrimination models for Sinapis Semen at varying processing degrees, providing a valuable reference for its standardized production, and offering a novel approach for process optimization of others.

Authors

  • Weiting Liang
    Research Center for Traditional Chinese Medicine of Lingnan (Southern China), Jinan University, Guangzhou 511436, China; College of Pharmacy, Jinan University, Guangzhou 511436, China. Electronic address: [email protected].
  • Rongxiao Zhong
    School of Intelligent Systems Science and Engineering, Jinan University, Zhuhai 519070, China. Electronic address: [email protected].
  • Zhiguo Ma
    College of Pharmacy, Jinan University, Guangzhou 511436, China; Guangdong Key Lab of Traditional Chinese Medicine Information Technology, Guangzhou 510632, China.
  • Menghua Wu
    Department of Urology, Beijing You'An Hospital, Capital Medical University, Beijing, China.
  • Ying Zhang
    Department of Nephrology, Nanchong Central Hospital Affiliated to North Sichuan Medical College, Nanchong, China.
  • Wei Zhang
    The First Affiliated Hospital of Nanchang University, Nanchang, China.
  • Wenting Zhong
    Department of Infectious Disease, The First Affiliated Hospital of Xi'an Jiaotong University, Xi'an, Shaanxi, China.
  • Yangfei Ding
    School of Pharmacy, Anhui University of Chinese Medicine, Hefei 230012, China.
  • Xinyuan Zhang
    Department of Electrical and Electronic Engineering, The University of Hong Kong, Hong Kong, China.
  • Hui Cao