Anti-adipogenic Effect of Taurine-Carbohydrate Derivatives

Cho, Hye Jeong; You, Jeong Soon; Chang, Kyung Ja; Kim, Kyung Soo; Kim, Sung Hoon

doi:10.5012/bkcs.2014.35.6.1863

“…Glucosyl-taurine synthesis was carried out following previous literature reports with slight modifications 33 . In brief, dry methanol was obtained by distillation of HPLC-grade methanol (Fisher; HPLC grade 0.2 micron filtered) over CaH2 (Acros Organics; ca.…”

Section: Glucosyl-taurine Synthesismentioning

confidence: 99%

Metabolite discovery through global annotation of untargeted metabolomics data

Chen

¹

,

Lu

²

,

Wang

³

et al. 2021

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A primary goal of metabolomics is to identify all biologically important metabolites. One powerful approach is liquid chromatography-high resolution mass spectrometry (LC-MS), yet most LC-MS peaks remain unidentified. Here, we present a global network optimization approach, NetID, to annotate untargeted LC-MS metabolomics data. We consider all experimentally observed ion peaks together, and assign annotations to all of them simultaneously so as to maximize a score that considers properties of peaks (known masses, retention times, MS/MS fragmentation patterns) as well network constraints that arise based on mass difference between peaks. Global optimization results in accurate peak assignment and trackable peak-peak relationships. Applying this approach to yeast and mouse data, we identify a half-dozen novel metabolites, including thiamine and taurine derivatives. Isotope tracer studies indicate active flux through these metabolites. Thus, NetID applies existing metabolomic knowledge and global optimization to annotate untargeted metabolomics data, revealing novel metabolites.

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“…Glucosyl-taurine synthesis was carried out following previous literature reports with slight modifications 55 . In brief, dry methanol was obtained by distillation of HPLC-grade methanol (Fisher; HPLC grade 0.2 micron filtered) over CaH 2 (Acros Organics; ca.…”

Section: Methodsmentioning

confidence: 99%

“…Glucosyl-taurine synthesis was carried out following previous literature reports with slight modifications 33 NMR experiment was carried out to validate the structure of synthesized N-glucosyl-taurine.…”

Section: Glucosyl-taurine Synthesismentioning

confidence: 99%

Metabolite discovery through global annotation of untargeted metabolomics data

Chen

¹

,

Lu

²

,

Wang

³

et al. 2021

Preprint

View full text Add to dashboard Cite

A primary goal of metabolomics is to identify all biologically important metabolites. One powerful approach is liquid chromatography-high resolution mass spectrometry (LC-MS), yet most LC-MS peaks remain unidentified. Here, we present a global network optimization approach, NetID, to annotate untargeted LC-MS metabolomics data. We consider all experimentally observed ion peaks together, and assign annotations to all of them simultaneously so as to maximize a score that considers properties of peaks (known masses, retention times, MS/MS fragmentation patterns) as well network constraints that arise based on mass difference between peaks. Global optimization results in accurate peak assignment and trackable peak-peak relationships. Applying this approach to yeast and mouse data, we identify a half-dozen novel metabolites, including thiamine and taurine derivatives. Isotope tracer studies indicate active flux through these metabolites. Thus, NetID applies existing metabolomic knowledge and global optimization to annotate untargeted metabolomics data, revealing novel metabolites.

show abstract