FN Archimer Export Format
PT J
TI Studying the Parkinson’s disease metabolome and exposome in biological samples through different analytical and cheminformatics approaches: a pilot study
BT 
AF 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.
AS 1:1;2:1;3:1;4:1,2;5:3;6:3;7:3;8:4,5;9:1,6;10:1;
FF 1:;2:;3:;4:;5:;6:;7:;8:;9:;10:;
C1 Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, Avenue du Swing 6, 4367, Belvaux, Luxembourg
   IFREMER (Institut Français de Recherche Pour L’Exploitation de La Mer), Unité Contamination Chimique Des Ecosystèmes Marins, Nantes, France
   National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD, 20894, USA
   Department of Neurology, University Medical Center Göttingen, Göttingen, Germany
   Paracelsus-Elena-Klinik, Kassel, Germany
   Department of Life Sciences and Medicine, Faculty of Science, Technology and Medicine, University of Luxembourg, Esch-sur-Alzette, Luxembourg
C2 UNIV LUXEMBOURG, LUXEMBOURG
   IFREMER (Institut Français de Recherche Pour L’Exploitation de La Mer), Unité Contamination Chimique Des Ecosystèmes Marins, Nantes, France
   NIH, USA
   DEPARTMENT OF NEUROLOGY, GERMANY
   PARACELSUS-ELENA-KLINIK, GERMANY
   UNIV LUXEMBOURG, LUXEMBOURG
IF 4.3
TC 10
UR https://archimer.ifremer.fr/doc/00788/89973/95492.pdf
   https://archimer.ifremer.fr/doc/00788/89973/95493.xlsx
   https://archimer.ifremer.fr/doc/00788/89973/95494.docx
LA English
DT Article
DE ;Liquid chromatography (LC);Non-target high-resolution mass spectrometry (NT-HRMS);Metabolomics;Exposomics;Parkinson's disease;Gut dysbiosis
AB 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-DIAL, PubChemLite for Exposomics, and the LITMINEDNEURO list for patRoon). Furthermore, five disease-specific databases and three suspect lists (on PD and related disorders) were developed, using PubChem functionality to identifying relevant unknown chemicals. The results showed that non-target screening with the larger databases generally provided better results compared with smaller suspect lists. However, two suspect screening approaches with patRoon were also good options to study specific chemicals in PD. The combination of chromatographic methods (RP and HILIC) as well as two ionization modes (positive and negative) enhanced the coverage of chemicals in the biological samples. While most metabolomics studies in PD have focused on blood and cerebrospinal fluid, we found a higher number of relevant features in feces, such as alanine betaine or nicotinamide, which can be directly metabolized by gut microbiota. This highlights the potential role of gut dysbiosis in PD development. 
PY 2022
PD OCT
SO Analytical And Bioanalytical Chemistry
SN 1618-2642
PU Springer Science and Business Media LLC
VL 414
IS 25
UT 000824434400001
BP 7399
EP 7419
DI 10.1007/s00216-022-04207-z
ID 89973
ER

EF