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Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography
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Chemistry
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JoVE Journal Chemistry
Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography

Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography

DOI:
10.3791/61529-v

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10:14 min

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September 02, 2020

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, , , , ,
1Dipartimento di Scienza e Tecnologia del Farmaco,Università degli Studi di Torino, 2SRA Instruments, 3GC Image LLC, 4Computer Science and Engineering Department,University of Nebraska

Chapters

  • 00:04Introduction
  • 01:45Importing Raw Data
  • 02:24Baseline Correction
  • 02:50Chromatographic Image Coloring and 2D Peak Analyte Detection
  • 03:492D Peak Filtration and Peak Spectra Location
  • 04:54Targeted Peak Template Creation and Template Matching and Application
  • 06:20Template Transformation (Optional)
  • 06:58Untargeted and Targeted Chromatogram Analysis
  • 07:46Results: Representative Chromatographic Fingerprinting
  • 09:27Conclusion

Summary

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This protocol presents an approach to fingerprint and explore multi-dimensional data collected by comprehensive two-dimensional gas chromatography coupled to mass spectrometry. Dedicated pattern recognition algorithms (template matching) are applied to explore the chemical information encrypted in the extra-virgin olive oil volatile fraction (i.e., volatilome).

Tags

Keywords: Chromatographic FingerprintingTemplate MatchingComprehensive Two-dimensional Gas ChromatographyUntargeted And Targeted Chemical InformationCross AlignmentFoodomicsExtra Virgin Olive OilsMachine LearningSensory QualityProduction MethodsGC X GCVisualizationImage ProcessingBaseline CorrectionColor MappingPeak Detection

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