首页|Analysis of GC × GC fingerprints from medicinal materials using a novel contour detection algorithm:A case of Curcuma wenyujin

Analysis of GC × GC fingerprints from medicinal materials using a novel contour detection algorithm:A case of Curcuma wenyujin

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  • 国家科技期刊平台
  • NETL
  • NSTL
  • 万方数据
This study introduces an innovative contour detection algorithm,PeakCET,designed for rapid and efficient analysis of natural product image fingerprints using comprehensive two-dimensional gas chromatogram(GC × GC).This method innovatively combines contour edge tracking with affinity propagation(AP)clustering for peak detection in GC × GC fingerprints,the first in this field.Contour edge tracking signif-icantly reduces false positives caused by"burr"signals,while AP clustering enhances detection accuracy in the face of false negatives.The efficacy of this approach is demonstrated using three medicinal products derived from Curcuma wenyujin.PeakCET not only performs contour detection but also employs inter-group peak matching and peak-volume percentage calculations to assess the compositional similarities and differences among various samples.Furthermore,this algorithm compares the GC × GC fingerprints of RadixlRhizoma Curcumae Wenyujin with those of products from different botanical origins.The findings reveal that genetic and geographical factors influence the accumulation of secondary metabolites in various plant tissues.Each sample exhibits unique characteristic components alongside common ones,and vari-ations in content may influence their therapeutic effectiveness.This research establishes a foundational data-set for the quality assessment of Curcuma products and paves the way for the application of computer vision techniques in two-dimensional(2D)fingerprint analysis of GC × GC data.

GC × GCImage fingerprintsContour detectionClustering of mass spectraCurcuma products

Xinyue Yang、Yingyu Sima、Xuhuai Luo、Yaping Li、Min He

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Department of Pharmaceutical Engineering,School of Chemical Engineering,Xiangtan University,Xiangtan,Hunan,411105,China

Molecular Science and Biomedicine Laboratory(MBL),State Key Laboratory of Chemo/Biosensing and Chemometrics,College of Chemistry and Chemical Engineering,Aptamer Engineering Center of Hunan Province,Hunan University,Changsha,410082,China

Department of Quality Control.Xiangtan Central Hospital,Xiangtan,Hunan,411100,China

Hunan 2011 Collaborative Innovation Center of Chemical Engineering & Technology with Environmental Benignity and Effective ResouHunan 2011 Collaborative Innovation Center of Chemical Engineering & Technology with Environmental Benignity and Effective ResouHunan Province College Students'Innovation and Entrepreneurship Training Program,ChinaHunan Province College Students'Innovation and Entrepreneurship Training Program,China

2020JJ45692023JJ60378S202110530044S202210530048

2024

10.1016/j.jpha.2024.01.004

药物分析学报(英文)
西安交通大学

药物分析学报(英文)

影响因子：0.244
ISSN：2095-1779
年,卷(期)：2024.14(4)
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