Studying the Parkinson's disease metabolome and exposome in biological samples through different analytical and cheminformatics approaches: a pilot study
- Talavera Andujar, Begona
- Aurich, Dagny
- Aho, Velma
- Singh, Randolph R.
- Cheng, Tiejun
- Zaslavsky, Leonid
- Bolton, Evan E.
- Mollenhauer, Brit
- Wilmes, Paul
- Schymanski, Emma
DOIAbstract
peer reviewedParkinson’s disease (PD) is the second most prevalent neurodegenerative disease, with an increasing incidence in recent years due to the ageing population. Genetic mutations alone only explain <10% of PD cases, while environmental factors, including small molecules, may play a significant role in PD. In the present work, 22 plasma (11 PD, 11 control) and 19 feces samples (10 PD, 9 control) were analyzed by non-target high resolution mass spectrometry (NT-HRMS) coupled to two liquid chromatography (LC) methods (reversed phase (RP) and hydrophilic interaction liquid chromatography (HILIC)). A cheminformatics workflow was optimized using open software (MS-DIAL and patRoon) and open databases (all public MSP-formatted spectral libr...
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