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Advances in intelligent mass spectrometry data processing technology for in vivo analysis of natural medicines

Chinese Journal of Natural Medicines 2024年第10期22卷 900-913页

作者： CHEN Simian DAI Binxin ZHANG Dandan YANG Yuexin ZHANG Hairong ZHANG Junyu LU Di WU Caisheng Fujian Provincial Key Laboratory of Innovative Drug Target Research and State Key Laboratory of Cellular Stress Biology School of Pharmaceutical SciencesXiamen UniversityXiamen 361102China Xiamen Key Laboratory for Clinical Efficacy and Evidence-Based Research of Traditional Chinese Medicine Xiamen UniversityXiamen 361102China

Natural medicines(NMs)are crucial for treating human *** characterizing their bioactive components in vivo has been a key focus and challenge in NM ***-performance liquid chromatography-high-resolution mass spectrometry(HPLC-HRMS)systems offer high sensitivity,resolution,and precision for conducting in vivo analysis of ***,due to the complexity of NMs,conventional data acquisition,mining,and processing techniques often fail to meet the practical needs of in vivo NM *** the past two decades,intelligent spectral data-processing techniques based on various principles and algorithms have been developed and applied for in vivo NM ***,improvements have been achieved in the overall analytical performance by relying on these techniques without the need to change the instrument *** improvements include enhanced instrument analysis sensitivity,expanded compound analysis coverage,intelligent identification,and characterization of nontargeted in vivo compounds,providing powerful technical means for studying the in vivo metabolism of NMs and screening for pharmacologically active *** review summarizes the research progress on in vivo analysis strategies for NMs using intelligent MS data processing techniques reported over the past two *** discusses differences in compound structures,variations among biological samples,and the application of artificial intelligence(AI)neural network ***,the review offers insights into the potential of in vivo tracking of NMs,including the screening of bioactive components and the identification of pharmacokinetic *** aim is to provide a reference for the integration and development of new technologies and strategies for future in vivo analysis of NMs.

关键词： High-performance liquid chromatography–High-resolution mass spectrometry data-acquisition data-processing Artificial Intelligence Metabolomics

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