Studying the Parkinson’s disease metabolome and exposome in biological samples through different analytical and cheminformatics approaches: a pilot study

Talavera Andújar, Begoña
Aurich, Dagny
Aho, Velma T. E.
Singh, Randolph
Cheng, Tiejun
Zaslavsky, Leonid
Bolton, Evan E.
Mollenhauer, Brit
Wilmes, Paul
Schymanski, Emma L.

Open link

Publication date

October 2022

DOI

10.1007/s00216-022-04207-z

Publisher

Springer Science and Business Media LLC

Abstract

Parkinson’s disease (PD) is the second most prevalent neurodegenerative disease, with an increasing incidence in recent years due to the aging 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 libraries for MS-D...