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Objective <p>To rapidly characterize the chemical constituents of Polygoni Multiflori Radix and its processed form, Polygoni Multiflori Radix Preparata, utilizing ultra-high performance liquid chromatography coupled with quadrupole-orbitrap-linear ion trap high-resolution mass spectrometry (UHPLC-Q-Orbitrap-Linear Ion Trap-MS).</p> Methods <p>Chromatographic separation was achieved on an ACQUITY UPLC BEH phenyl column (1.7&#xa0;μm, 2.1 × 100&#xa0;mm) employing a gradient elution of methanol (A) and 0.1% formic acid aqueous solution (B). Mass spectrometric analysis was conducted using a heated electrospray ionization (H-ESI) source operated in negative ion mode. Data processing was performed using Thermo Scientific Compound Discoverer 3.0 software, integrating a self-constructed Polygoni Multiflori Radix MS and MS/MS spectral database. Compounds with a mass error tolerance of ≤ |5| ppm were tentatively identified via freestyle software and further validated by comparison with previously reported literature data.</p> Results <p>A total of 231 chemical constituents were tentatively identified through online analysis, comprising 64 stilbene glycosides, 28 anthraquinones, 38 flavonoids, 45 polyphenols, 18 amino acids, 7 naphthalenes, 6 chromones, 3 alkaloids, 5 fatty acids, and 17 other components. Following 24&#xa0;h of processing, the levels of stilbene glycosides, free anthraquinones, torachrysone, and torachrysone-8-<i>O-</i>β<i>-</i>D-glucoside were observed to decrease, while the concentrations of dianthrones and bound anthraquinones exhibited a significant reduction. In contrast, the content of gallic acid increased markedly.</p> Conclusions <p>These findings provide a robust scientific foundation for further exploration of the active and toxic components in Polygoni Multiflori Radix and its processed form, Polygoni Multiflori Radix Preparata, contributing to a deeper understanding of their pharmacological and toxicological profiles.</p> Graphical abstract <p></p>

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On-line identification of chemical constituents in Polygoni Multiflori Radix and Polygoni Multiflori Radix Praeparata based on UHPLC-Q-Orbitrap-Linear Ion Trap-MS

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年11月14日

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  • Rui Yao,
  • Hong Guo,
  • Xiao-Shu Zhang,
  • Ying Wang,
  • Xiao-Han Guo,
  • Bao-Zhong Duan,
  • Wen-Guang Jing,
  • Jian-Bo Yang,
  • Xian-Long Cheng,
  • Feng Wei

摘要

Objective

To rapidly characterize the chemical constituents of Polygoni Multiflori Radix and its processed form, Polygoni Multiflori Radix Preparata, utilizing ultra-high performance liquid chromatography coupled with quadrupole-orbitrap-linear ion trap high-resolution mass spectrometry (UHPLC-Q-Orbitrap-Linear Ion Trap-MS).

Methods

Chromatographic separation was achieved on an ACQUITY UPLC BEH phenyl column (1.7 μm, 2.1 × 100 mm) employing a gradient elution of methanol (A) and 0.1% formic acid aqueous solution (B). Mass spectrometric analysis was conducted using a heated electrospray ionization (H-ESI) source operated in negative ion mode. Data processing was performed using Thermo Scientific Compound Discoverer 3.0 software, integrating a self-constructed Polygoni Multiflori Radix MS and MS/MS spectral database. Compounds with a mass error tolerance of ≤ |5| ppm were tentatively identified via freestyle software and further validated by comparison with previously reported literature data.

Results

A total of 231 chemical constituents were tentatively identified through online analysis, comprising 64 stilbene glycosides, 28 anthraquinones, 38 flavonoids, 45 polyphenols, 18 amino acids, 7 naphthalenes, 6 chromones, 3 alkaloids, 5 fatty acids, and 17 other components. Following 24 h of processing, the levels of stilbene glycosides, free anthraquinones, torachrysone, and torachrysone-8-O-β-D-glucoside were observed to decrease, while the concentrations of dianthrones and bound anthraquinones exhibited a significant reduction. In contrast, the content of gallic acid increased markedly.

Conclusions

These findings provide a robust scientific foundation for further exploration of the active and toxic components in Polygoni Multiflori Radix and its processed form, Polygoni Multiflori Radix Preparata, contributing to a deeper understanding of their pharmacological and toxicological profiles.

Graphical abstract