New Technology and Workflows for Advancing Metabolomics

A special issue of Metabolites (ISSN 2218-1989). This special issue belongs to the section "Metabolomic Profiling Technology".

Deadline for manuscript submissions: 31 October 2026 | Viewed by 816

Special Issue Editor


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Guest Editor
Waters Corporation, Wilmslow SK9 4AX, UK
Interests: mass spectrometry; multi-OMICS; informatics

Special Issue Information

Dear Colleagues,

This Special Issue of Metabolites welcomes the submission of original research articles or review papers that focus on the advancement of technology and/or workflows involving metabolomics. Mass spectrometry and NMR have long been associated with metabolomic profiling, providing a means of identifying and quantifying metabolites. As technologies evolve, they allow researchers to delve deeper into the metabolome, helping to provide insights that advance our understanding of metabolic disease, patient stratification and the development of therapeutics. The enhancement of analytical technologies provides a wealth of data, which also requires more sophisticated informatics to deconvolve and identify metabolites of interest. Combining these analytical approaches, whether discovery or targeted, with complex informatics workflows enables the review and interrogation of data whilst providing answers to complex biological questions. This Special Issue aims to highlight the latest generation of analytical technologies (mass spectrometry and NMR for example), as well as present informatic-based workflows for discovery (untargeted) and targeted metabolomics.   

Dr. Lee Andrew Gethings
Guest Editor

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Keywords

  • mass spectrometry
  • NMR
  • discovery metabolomics
  • targeted metabolomics
  • lipidomics
  • mass spectrometry imaging
  • new technology

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Published Papers (1 paper)

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Research

18 pages, 12993 KB  
Article
Influence of 60Co Irradiation on the Volatile Organic Compounds of Cnidii Fructus
by Junmei Huang, Yuhuan Liu, Yuqing Liu, Jianye Yan, Shunxiang Li and Dan Huang
Metabolites 2026, 16(5), 309; https://doi.org/10.3390/metabo16050309 - 30 Apr 2026
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Abstract
Background/Objectives: As a traditional Chinese medicinal herb, Cnidii Fructus is widely used in clinical practice. Its volatile organic compounds (VOCs) are closely related to its antipruritic effect and insecticidal properties. Due to the susceptibility of this medicinal herb to mold contamination, adopting appropriate [...] Read more.
Background/Objectives: As a traditional Chinese medicinal herb, Cnidii Fructus is widely used in clinical practice. Its volatile organic compounds (VOCs) are closely related to its antipruritic effect and insecticidal properties. Due to the susceptibility of this medicinal herb to mold contamination, adopting appropriate sterilization measures is of great significance for its storage. 60Co irradiation is widely used for this purpose due to its various advantages. Methods: This study employed Gas Chromatography–Ion Mobility Spectrometry (GC-IMS) combined with multivariate statistical analysis to systematically investigate the influence of different 60Co irradiation doses (0, 3, 6, 9 kGy) on the VOCs of Cnidii Fructus and associated metabolic regulatory mechanisms. Results: A total of 115 VOCs were tentatively identified. Statistical analysis revealed dose-dependent effects: 3 kGy irradiation caused the least compositional perturbation, best preserving original chemical characteristics; 6 kGy induced more pronounced compositional changes; and 9 kGy triggered substantial chemical composition reconstruction. Differential metabolite enrichment analysis indicated that medium and high doses of irradiation primarily perturbed central carbon metabolic pathways, including pyruvate metabolism, glycolysis/gluconeogenesis, and glyoxylate and dicarboxylate metabolism. Key differential components were tentatively identified (e.g., α-Thujone, α-Pinene, β-Pinene) that possess pharmacological activities closely associated with the traditional efficacy of Cnidii Fructus. Conclusions: When the irradiation dose is 3 kGy, the VOCs profile of Cnidii Fructus is most similar to that of the non-irradiated control group, suggesting that its compositional profile may be closer to that of traditional high-quality medicinal materials. Meanwhile, the differential metabolites and core metabolic pathways identified in this study can provide a chemical reference for the quality control of irradiated Cnidii Fructus. The findings provide a theoretical basis and technical support for the rational application of 60Co irradiation sterilization in the processing of Chinese medicinal materials and their powders. Full article
(This article belongs to the Special Issue New Technology and Workflows for Advancing Metabolomics)
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