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Anal Chem

Title:		Headspace Gas Monitoring of Gut Microbiota Using Targeted and Globally Optimized Targeted Secondary Electrospray Ionization Mass Spectrometry
Author(s):		Li H; Xu M; Zhu J;
Address:		"Department of Chemistry and Biochemistry , Miami University , 651 E. High Street , Oxford , Ohio 45056 , United States"
Journal Title:		Anal Chem
Year:		2019
Volume:		20181218
Issue:		1
Page Number:		854 - 863
DOI:		10.1021/acs.analchem.8b03517
ISSN/ISBN:		1520-6882 (Electronic) 0003-2700 (Linking)
Abstract:		"This study aimed to develop and incorporate a secondary electrospray ionization (SESI) setup in combination with both targeted tandem mass spectrometry (MS/MS) and a hybrid metabolomics technique, globally optimized targeted mass spectrometry (GOT-MS), to sensitively detect volatile metabolites from the headspace of in vitro gut microbial culture in a human colonic model (HCM). Two SESI-tandem mass spectrometry panels with a comparable number of targeted metabolites/features (77 compounds in the targeted SESI-MS/MS panel and 75 features in the SESI-GOT-MS/MS panel) were established. The analytical performance of the SESI-GOT-MS/MS method, as well as its biological capability, were examined and compared with the targeted SESI-MS/MS method. As a result, the SESI-GOT-MS/MS method detected a similar number of metabolic features with good reproducibility (coefficient of variation <10%) compared to the targeted SESI-MS/MS method. Both methods showed a comparable ability to differentiate the gut microbial culture with or without the addition of green tea extract (GTE) to a HCM. The results from analysis of variance (ANOVA) showed that similar numbers of compounds from targeted SESI-MS/MS and metabolic features from SESI-GOT-MS/MS have significant differences when comparing samples collected from different HCM treatment stages. Partial least-squares discriminant analysis (PLS-DA) indicated that both methods could clearly differentiate the stages of GTE treatment. In summary, we demonstrated that SESI-MS/MS in combination with either targeted or GOT approaches can be a useful tool for monitoring gut microbial metabolism and their response to perturbations"
Keywords:		"Camellia sinensis/chemistry Gastrointestinal Microbiome/drug effects/*physiology Humans *Metabolome Metabolomics/methods Plant Extracts/pharmacology Spectrometry, Mass, Electrospray Ionization/*methods Tandem Mass Spectrometry/*methods Volatile Organic Co;"
Notes:		"MedlineLi, Haorong Xu, Mengyang Zhu, Jiangjiang eng Research Support, Non-U.S. Gov't 2018/12/06 Anal Chem. 2019 Jan 2; 91(1):854-863. doi: 10.1021/acs.analchem.8b03517. Epub 2018 Dec 18"