An interoperability framework for multicentric breath metabolomic studies

Amanda Gisler; Kapil Dev Singh; Jiafa Zeng; Martin Osswald; Mo Awchi; Fabienne Decrue; Felix Schmidt; Noriane A. Sievi; Xing Chen; Jakob Usemann; Urs Frey; Malcolm Kohler; Xue Li; Pablo Sinues

iScience (Dec 2022)

An interoperability framework for multicentric breath metabolomic studies

Amanda Gisler,
Kapil Dev Singh,
Jiafa Zeng,
Martin Osswald,
Mo Awchi,
Fabienne Decrue,
Felix Schmidt,
Noriane A. Sievi,
Xing Chen,
Jakob Usemann,
Urs Frey,
Malcolm Kohler,
Xue Li,
Pablo Sinues

Affiliations

Amanda Gisler: University Children’s Hospital Basel UKBB, University of Basel, 4056 Basel, Switzerland
Kapil Dev Singh: University Children’s Hospital Basel UKBB, University of Basel, 4056 Basel, Switzerland; Department of Biomedical Engineering, University of Basel, 4123 Allschwil, Switzerland
Jiafa Zeng: University Children’s Hospital Basel UKBB, University of Basel, 4056 Basel, Switzerland; Department of Biomedical Engineering, University of Basel, 4123 Allschwil, Switzerland; Institute of Mass Spectrometry and Atmospheric Environment, Jinan University, Guangzhou 510632, China
Martin Osswald: University Hospital Zurich USZ, 8091 Zurich, Switzerland
Mo Awchi: University Children’s Hospital Basel UKBB, University of Basel, 4056 Basel, Switzerland; Department of Biomedical Engineering, University of Basel, 4123 Allschwil, Switzerland
Fabienne Decrue: University Children’s Hospital Basel UKBB, University of Basel, 4056 Basel, Switzerland
Felix Schmidt: University Hospital Zurich USZ, 8091 Zurich, Switzerland
Noriane A. Sievi: University Hospital Zurich USZ, 8091 Zurich, Switzerland
Xing Chen: Institute of Mass Spectrometry and Atmospheric Environment, Jinan University, Guangzhou 510632, China
Jakob Usemann: University Children’s Hospital Basel UKBB, University of Basel, 4056 Basel, Switzerland
Urs Frey: University Children’s Hospital Basel UKBB, University of Basel, 4056 Basel, Switzerland
Malcolm Kohler: University Hospital Zurich USZ, 8091 Zurich, Switzerland
Xue Li: Institute of Mass Spectrometry and Atmospheric Environment, Jinan University, Guangzhou 510632, China
Pablo Sinues: University Children’s Hospital Basel UKBB, University of Basel, 4056 Basel, Switzerland; Department of Biomedical Engineering, University of Basel, 4123 Allschwil, Switzerland; Corresponding author

Journal volume & issue: Vol. 25, no. 12
p. 105557

Abstract

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Summary: Exhaled breath contains valuable information at the molecular level and offers promising potential for precision medicine. However, few breath tests transition to routine clinical practice, partly because of the missing validation in multicenter trials. Therefore, we developed and applied an interoperability framework for standardized multicenter data acquisition and processing for breath analysis with secondary electrospray ionization-high resolution mass spectrometry. We aimed to determine the technical variability and metabolic coverage. Comparison of multicenter data revealed a technical variability of ∼20% and a core signature of the human exhaled metabolome consisting of ∼850 features, corresponding mainly to amino acid, xenobiotic, and carbohydrate metabolic pathways. In addition, we found high inter-subject variability for certain metabolic classes (e.g., amino acids and fatty acids), whereas other regions such as the TCA cycle were relatively stable across subjects. The interoperability framework and overview of metabolic coverage presented here will pave the way for future large-scale multicenter trials.

Published in iScience

ISSN: 2589-0042 (Online)
Publisher: Elsevier
Country of publisher: United States
LCC subjects: Science
Website: http://www.cell.com/iscience/home

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