SERS based determination of ceftriaxone, ampicillin, and vancomycin in serum using WS/Au@Ag nanocomposites and a 2D-CNN regression model.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
PMID: 39929115

Abstract

Accurate therapeutic drug monitoring (TDM) of antibiotics including ceftriaxone, ampicillin, and vancomycin plays an important role in the treatment of neonatal sepsis, a common and life-threatening disease in neonates. A highly sensitive surface-enhanced Raman spectroscopy (SERS) method using tungsten disulfide/gold and silver core-shell (WS/Au@Ag) nanocomposites was developed for the rapid detection of the three antibiotics, with a wide response range (0.5-1000 μg/mL). A two-dimensional convolutional neural network (2D-CNN) regression model was proposed to predict antibiotic concentrations in complex mixed serum solutions, simulating various drug use scenarios. The model achieved excellent regression results for ceftriaxone and ampicillin simultaneously, with R-squared (R) values of 0.9993 and 0.9997. The integration of ultra-sensitive SERS with the 2D-CNN based deep learning model provides a promising approach for rapid TDM and personalized patient treatment.

Authors

  • Ying Cao
  • Yuxin Yang
    Key Laboratory of Biomedical Engineering of Hainan Province, School of Biomedical Engineering, Hainan University, Haikou, China.
  • Wendong Zhao
    Key Laboratory of Optical Technology and Instrument for Medicine, Ministry of Education, College of Optical-Electrical and Computer Engineering, University of Shanghai for Science and Technology, Shanghai 200093 China.
  • Hongyi Liu
    Department of General Surgery II, the First Medical Center of Chinese PLA General Hospital, Fuxing Road, Haidian District, Beijing, China.
  • Xuedian Zhang
    School of Optical-Electrical and Computer Engineering, University of Shanghai for Science and Technology, Shanghai, 200093, China.
  • Hui Chen
    Xiangyang Central HospitalAffiliated Hospital of Hubei University of Arts and Science Xiangyang 441000 China.
  • Mingxing Sui
    Department of Organ Transplantation, Shanghai Changhai Hospital, Navy Medical University, Shanghai 200433, China. Electronic address: mingxingsui@163.com.
  • Pei Ma
    Key Laboratory of Optical Technology and Instrument for Medicine, Ministry of Education, University of Shanghai for Science and Technology, Shanghai 200093, China.

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