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Application of Analytical Technology in Metabolomics
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Dell Pediatric Research Institute, Department of Nutritional Sciences, Dell Medical School, The University of Texas at Austin, Austin, TX 78723, USA
Dr. Ugo Bussy
Department of Fisheries and Wildlife, Michigan State University, Chicago, IL, USA
Dr. Raúl G. Enríquez
Department of Organic Chemistry, National Autonomous University of Mexico, Ciudad de México, Mexico
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Application of Analytical Technology in Metabolomics

Abstract submission deadline
31 August 2024
Manuscript submission deadline
31 October 2024
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Topic Information

Dear Colleagues,

Metabolomics, as an important part of systems biology, is concerned with both targeted and untargeted analysis of endogenous and exogenous small molecule metabolites found within a biological sample. Metabolomics is a powerful approach for biomarker discovery with the technological advancement in the Analytical and identification of small molecules for early diagnosis, monitoring therapeutic response, and establishing disease pathogenesis. These cutting-edge technologies, which include accurate measurement of HPLC/UPLC, CE, HRMS, and NMR technology, can perform the detection of metabolites within minutes. The metabolomics field is gaining popularity due to the development of new Analytical methods and innovative sample processing techniques. In the light of the impressive past and ongoing development in the area of metabolomics by the use of modern analytical methods in conjunction with Analytical techniques, we believe that this Topic will bring together original research papers as well as review articles that highlight recent advances in innovative sample processing, current Analytical, and targeted & untargeted methods for bioanalysis/preclinical and clinical analysis in the field of metabolomics. Additionally, miniaturization of sample processing methods for metabolomics analysis is also welcome.

Dr. Preeti Chandra
Dr. Ugo Bussy
Dr. Raúl G. Enríquez
Topic Editors

Keywords

  • metabolomics
  • liquid chromatography
  • mass spectrometry
  • HPLC/NMR/CE
  • sample preparation
  • microsampling/microextraction
  • biomarker discovery
  • metabolic profiling
  • hyphenated techniques
  • metabolite identification

Participating Journals

Journal Name Impact Factor CiteScore Launched Year First Decision (median) APC
Analytica
analytica 		- - 2020 15.6 Days CHF 1000 Submit
Metabolites
metabolites 		4.1 5.3 2011 13.2 Days CHF 2700 Submit
Toxins
toxins 		4.2 7.5 2009 18.4 Days CHF 2700 Submit
Molecules
molecules 		4.6 6.7 1996 14.6 Days CHF 2700 Submit
Cells
cells 		6.0 9.0 2012 16.6 Days CHF 2700 Submit

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Published Papers (3 papers)

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14 pages, 1561 KiB  
Article
Selected Ion Monitoring for Orbitrap-Based Metabolomics
by Wenyun Lu, Matthew J. McBride, Won Dong Lee, Xi Xing, Xincheng Xu, Xi Li, Anna M. Oschmann, Yihui Shen, Caroline Bartman and Joshua D. Rabinowitz
Metabolites 2024, 14(4), 184; https://doi.org/10.3390/metabo14040184 - 25 Mar 2024
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Abstract
Orbitrap mass spectrometry in full scan mode enables the simultaneous detection of hundreds of metabolites and their isotope-labeled forms. Yet, sensitivity remains limiting for many metabolites, including low-concentration species, poor ionizers, and low-fractional-abundance isotope-labeled forms in isotope-tracing studies. Here, we explore selected ion [...] Read more.
Orbitrap mass spectrometry in full scan mode enables the simultaneous detection of hundreds of metabolites and their isotope-labeled forms. Yet, sensitivity remains limiting for many metabolites, including low-concentration species, poor ionizers, and low-fractional-abundance isotope-labeled forms in isotope-tracing studies. Here, we explore selected ion monitoring (SIM) as a means of sensitivity enhancement. The analytes of interest are enriched in the orbitrap analyzer by using the quadrupole as a mass filter to select particular ions. In tissue extracts, SIM significantly enhances the detection of ions of low intensity, as indicated by improved signal-to-noise (S/N) ratios and measurement precision. In addition, SIM improves the accuracy of isotope-ratio measurements. SIM, however, must be deployed with care, as excessive accumulation in the orbitrap of similar m/z ions can lead, via space-charge effects, to decreased performance (signal loss, mass shift, and ion coalescence). Ion accumulation can be controlled by adjusting settings including injection time and target ion quantity. Overall, we suggest using a full scan to ensure broad metabolic coverage, in tandem with SIM, for the accurate quantitation of targeted low-intensity ions, and provide methods deploying this approach to enhance metabolome coverage. Full article
(This article belongs to the Topic Application of Analytical Technology in Metabolomics)
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11 pages, 1990 KiB  
Article
Identification of Sanguinarine Metabolites in Rats Using UPLC-Q-TOF-MS/MS
by Mengting Liu, Zhiqin Liu, Zhuang Dong, Xianglin Zou, Jianguo Zeng and Zihui Yang
Molecules 2023, 28(22), 7641; https://doi.org/10.3390/molecules28227641 - 17 Nov 2023
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Abstract
Sanguinarine (SAN), as the main active component of a traditional Chinese veterinary medicine, has been widely used in the animal husbandry and breeding industry. However, the metabolites of SA are still uncertain. Therefore, this research aimed to investigate the metabolites of SA based [...] Read more.
Sanguinarine (SAN), as the main active component of a traditional Chinese veterinary medicine, has been widely used in the animal husbandry and breeding industry. However, the metabolites of SA are still uncertain. Therefore, this research aimed to investigate the metabolites of SA based on rats in vivo. The blood, feces, and urine of rats were collected after the oral administration of 40 mg/kg SAN. Ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS) was employed to identify the metabolites of SAN. The elemental composition of sanguinarine metabolites was inferred by analyzing their exact molecular weight, and the structures of the metabolites were predicted based on their fragment ions and cleavage pathways. A total of 12 metabolites were identified, including three metabolites in the plasma, four in the urine, and nine in the feces. According to the possible metabolic pathways deduced in this study, SAN was mainly metabolized through reduction, oxidation, demethylation, hydroxylation, and glucuronidation. This present research has summarized the metabolism of SAN in rats, which is helpful for further studying the metabolic mechanism of SAN in vivo and in vitro. Full article
(This article belongs to the Topic Application of Analytical Technology in Metabolomics)
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10 pages, 1843 KiB  
Article
The Synthesis of Biphasic Metabolites of Carfentanil
by Junchang Wang, Jianwen Hu, Pingyong Liao, Shang Xue, Shan He, Ruijia Chen, Xuejun Zhao and Wenbin Liu
Molecules 2023, 28(22), 7625; https://doi.org/10.3390/molecules28227625 - 16 Nov 2023
Viewed by 863
Abstract
Carfentanil is an ultra-potent synthetic opioid. The Russian police force used both carfentanil and remifentanil to resolve a hostage incident in Moscow. This reported use sparked an interest in the pharmacology and toxicology of carfentanil in the human body, and data on its [...] Read more.
Carfentanil is an ultra-potent synthetic opioid. The Russian police force used both carfentanil and remifentanil to resolve a hostage incident in Moscow. This reported use sparked an interest in the pharmacology and toxicology of carfentanil in the human body, and data on its metabolites were later published. However, there have been few studies on the synthesis of carfentanil metabolites, and biological extraction has also put forward large uncertainty in subsequent studies. The aim of the present study is to investigate the synthesis of biphasic metabolites that are unique to carfentanil. The purpose was to produce corresponding metabolites conveniently, quickly, and at low cost that can be used for comparison with published structures and to confirm the administration of carfentanil. Full article
(This article belongs to the Topic Application of Analytical Technology in Metabolomics)
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