Sample preparation of Hedyotis diffusa Willd. for two-dimensional gas chromatography-time of flight mass spectroscopic analysis enhanced chemical profiling

Hedyotis diffusa Willd., a herbal remedy for cancer, has a complex chemical profile that is difficult to analyze in detail. Here, we introduce an optimized sample preparation method coupled with two-dimensional gas chromatography-time-of-flight mass spectrometry (GC ​× ​GC-TOF/MS) to enhance the che...

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Main Authors: Duxin Li, Xinying Du, Wanru Bai, Oliver J. Schmitz
Format: Article
Language:English
Published: Elsevier 2024-12-01
Series:Pharmaceutical Science Advances
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2773216924000229
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author Duxin Li
Xinying Du
Wanru Bai
Oliver J. Schmitz
author_facet Duxin Li
Xinying Du
Wanru Bai
Oliver J. Schmitz
author_sort Duxin Li
collection DOAJ
description Hedyotis diffusa Willd., a herbal remedy for cancer, has a complex chemical profile that is difficult to analyze in detail. Here, we introduce an optimized sample preparation method coupled with two-dimensional gas chromatography-time-of-flight mass spectrometry (GC ​× ​GC-TOF/MS) to enhance the chemical profiling of H. diffusa. By employing dichloromethane extraction for nonpolar compounds, aqueous extraction, and solid-phase extraction fractionation into moderately polar and polar fractions, we extracted and analyzed a comprehensive range of chemicals from H. diffusa. GC ​× ​GC-TOF/MS analysis revealed a rich chemical landscape, identifying 185, 325, and 483 peaks in the dichloromethane extract, solid-phase extraction elution, and unretained fractions, respectively. Library matching against known compounds confirmed 155, 178, and 184 hits with a similarity of 80% or greater. Notably, this method also involves group-type elution of steroids and anthraquinones, facilitating the identification and screening of similar compounds. This comprehensive approach to herbal chemical analysis offers a high-dimensional perspective and greatly advances our understanding of the chemical constituents of H. diffusa.
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spelling doaj-art-b2ed805e928e4cd58b240fecef0bbf7e2025-08-20T02:31:09ZengElsevierPharmaceutical Science Advances2773-21692024-12-01210005610.1016/j.pscia.2024.100056Sample preparation of Hedyotis diffusa Willd. for two-dimensional gas chromatography-time of flight mass spectroscopic analysis enhanced chemical profilingDuxin Li0Xinying Du1Wanru Bai2Oliver J. Schmitz3College of Pharmaceutical Science, Soochow University, Ren’Ai Road 199, 215123, Suzhou, PR China; Applied Analytical Chemistry, Faculty of Chemistry, University of Duisburg-Essen, Universitaetsstr. 5-7, 45141, Essen, GermanyCollege of Pharmaceutical Science, Soochow University, Ren’Ai Road 199, 215123, Suzhou, PR ChinaCollege of Pharmaceutical Science, Soochow University, Ren’Ai Road 199, 215123, Suzhou, PR ChinaApplied Analytical Chemistry, Faculty of Chemistry, University of Duisburg-Essen, Universitaetsstr. 5-7, 45141, Essen, Germany; Corresponding author.Hedyotis diffusa Willd., a herbal remedy for cancer, has a complex chemical profile that is difficult to analyze in detail. Here, we introduce an optimized sample preparation method coupled with two-dimensional gas chromatography-time-of-flight mass spectrometry (GC ​× ​GC-TOF/MS) to enhance the chemical profiling of H. diffusa. By employing dichloromethane extraction for nonpolar compounds, aqueous extraction, and solid-phase extraction fractionation into moderately polar and polar fractions, we extracted and analyzed a comprehensive range of chemicals from H. diffusa. GC ​× ​GC-TOF/MS analysis revealed a rich chemical landscape, identifying 185, 325, and 483 peaks in the dichloromethane extract, solid-phase extraction elution, and unretained fractions, respectively. Library matching against known compounds confirmed 155, 178, and 184 hits with a similarity of 80% or greater. Notably, this method also involves group-type elution of steroids and anthraquinones, facilitating the identification and screening of similar compounds. This comprehensive approach to herbal chemical analysis offers a high-dimensional perspective and greatly advances our understanding of the chemical constituents of H. diffusa.http://www.sciencedirect.com/science/article/pii/S2773216924000229Chemical profilingHedyotis diffusa willdTwo-dimensional gas chromatography-time-of-flight mass spectrometrySample preparationHerbal medicine
spellingShingle Duxin Li
Xinying Du
Wanru Bai
Oliver J. Schmitz
Sample preparation of Hedyotis diffusa Willd. for two-dimensional gas chromatography-time of flight mass spectroscopic analysis enhanced chemical profiling
Pharmaceutical Science Advances
Chemical profiling
Hedyotis diffusa willd
Two-dimensional gas chromatography-time-of-flight mass spectrometry
Sample preparation
Herbal medicine
title Sample preparation of Hedyotis diffusa Willd. for two-dimensional gas chromatography-time of flight mass spectroscopic analysis enhanced chemical profiling
title_full Sample preparation of Hedyotis diffusa Willd. for two-dimensional gas chromatography-time of flight mass spectroscopic analysis enhanced chemical profiling
title_fullStr Sample preparation of Hedyotis diffusa Willd. for two-dimensional gas chromatography-time of flight mass spectroscopic analysis enhanced chemical profiling
title_full_unstemmed Sample preparation of Hedyotis diffusa Willd. for two-dimensional gas chromatography-time of flight mass spectroscopic analysis enhanced chemical profiling
title_short Sample preparation of Hedyotis diffusa Willd. for two-dimensional gas chromatography-time of flight mass spectroscopic analysis enhanced chemical profiling
title_sort sample preparation of hedyotis diffusa willd for two dimensional gas chromatography time of flight mass spectroscopic analysis enhanced chemical profiling
topic Chemical profiling
Hedyotis diffusa willd
Two-dimensional gas chromatography-time-of-flight mass spectrometry
Sample preparation
Herbal medicine
url http://www.sciencedirect.com/science/article/pii/S2773216924000229
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