scholarly journals A comprehensive non-targeted analysis study of the prenatal exposome

2021 ◽  
Author(s):  
Dimitri Abrahamsson ◽  
Aolin Wang ◽  
Ting Jiang ◽  
Miaomiao Wang ◽  
Aditya Siddharth ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Cord Blood ◽  
High Resolution Mass Spectrometry ◽  
Critical Periods ◽  
Chemical Abundance ◽  
Blood Samples ◽  
Flight Mass Spectrometry ◽  
Targeted Analysis ◽  
Technological Advances ◽  
Negative Electrospray Ionization

Recent technological advances in mass spectrometry have enabled us to screen biological samples for a very broad spectrum of chemical compounds allowing us to more comprehensively characterize the human exposome in critical periods of development. The goal of this study was three-fold: 1) to analyze 590 matched maternal and cord blood samples (total 295 pairs) using non-targeted analysis (NTA); 2) examine the differences in chemical abundance between maternal and cord blood samples; and 3) examine the associations between exogenous chemicals and endogenous metabolites. We analyzed all samples with high-resolution mass spectrometry (HRMS) using liquid chromatography – quadrupole time-of-flight mass spectrometry (LC-QTOF/MS), in both positive and negative electrospray ionization modes (ESI+ and ESI-) and in soft ionization (MS) and fragmentation (MS/MS) modes for prioritized features. We confirmed 19 unique compounds with analytical standards, we tentatively identified 73 compounds with MS/MS spectra matching, and we annotated 98 compounds using an annotation algorithm. We observed 103 significant associations in maternal and 128 in cord samples between compounds annotated as endogenous and compounds annotated as exogenous. An example of these relationships was an association between 3 poly and perfluoroalkyl substances (PFAS) and endogenous fatty acids in both the maternal and cord samples indicating potential interactions between PFAS and fatty acid regulating proteins.

scholarly journals Comprehensive Non-Targeted Analysis of the Prenatal Exposome Reveals Significant Differences in Chemical Enrichment Between Maternal and Fetal Samples

2020 ◽  
Author(s):  
Dimitri Abrahamsson ◽  
Aolin Wang ◽  
Ting Jiang ◽  
Miaomiao Wang ◽  
Aditya Siddharth ◽  
...  
Keyword(s):  
Cord Blood ◽  
High Resolution Mass Spectrometry ◽  
Interaction Networks ◽  
Perfluoroalkyl Substances ◽  
Blood Samples ◽  
Analysis Study ◽  
Chemical Enrichment ◽  
Targeted Analysis ◽  
Molecular Interaction Networks ◽  
Resolution Mass

The exposome has been recognized as an important dimension in understanding human disease and complementing the genome but remains largely uncharacterized. We analyzed 295 matched maternal and cord blood samples using non-targeted high-resolution mass spectrometry and characterized exposome features. We compared the chemical enrichment of the maternal and cord blood samples using a similarity network analysis and examined the interactions between the exogenous and the endogenous chemical features using a molecular interaction networks approach. We detected over 700 chemical features in the maternal and cord pairs and we found that maternal samples are more similar in terms of chemical enrichment to their corresponding cord samples compared to other maternal samples or other cord samples. We observed significant associations between 3 poly/perfluoroalkyl substances (PFAS) and endogenous fatty acids in both the maternal and cord samples indicating important interactions between PFAS and fatty acid regulating proteins. To our knowledge, this is the first non-targeted analysis study that uses such large cohort to characterize the prenatal exposome.

scholarly journals Comprehensive Non-Targeted Analysis of the Prenatal Exposome Reveals Significant Differences in Chemical Enrichment Between Maternal and Fetal Samples

2020 ◽  
Author(s):  
Dimitri Abrahamsson ◽  
Aolin Wang ◽  
Ting Jiang ◽  
Miaomiao Wang ◽  
Aditya Siddharth ◽  
...  
Keyword(s):  
Cord Blood ◽  
High Resolution Mass Spectrometry ◽  
Interaction Networks ◽  
Perfluoroalkyl Substances ◽  
Blood Samples ◽  
Analysis Study ◽  
Chemical Enrichment ◽  
Targeted Analysis ◽  
Molecular Interaction Networks ◽  
Resolution Mass

The exposome has been recognized as an important dimension in understanding human disease and complementing the genome but remains largely uncharacterized. We analyzed 295 matched maternal and cord blood samples using non-targeted high-resolution mass spectrometry and characterized exposome features. We compared the chemical enrichment of the maternal and cord blood samples using a similarity network analysis and examined the interactions between the exogenous and the endogenous chemical features using a molecular interaction networks approach. We detected over 700 chemical features in the maternal and cord pairs and we found that maternal samples are more similar in terms of chemical enrichment to their corresponding cord samples compared to other maternal samples or other cord samples. We observed significant associations between 3 poly/perfluoroalkyl substances (PFAS) and endogenous fatty acids in both the maternal and cord samples indicating important interactions between PFAS and fatty acid regulating proteins. To our knowledge, this is the first non-targeted analysis study that uses such large cohort to characterize the prenatal exposome.

scholarly journals Investigation of Biotransformation Products of p-Methoxymethylamphetamine and Dihydromephedrone in Wastewater by High-Resolution Mass Spectrometry

Metabolites ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 66
Author(s):  
Juliet Kinyua ◽  
Aikaterini K. Psoma ◽  
Nikolaos I. Rousis ◽  
Maria-Christina Nika ◽  
Adrian Covaci ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Wastewater Treatment Plants ◽  
High Resolution Mass Spectrometry ◽  
Transformation Products ◽  
New Psychoactive Substances ◽  
Batch Reactors ◽  
Flight Mass Spectrometry ◽  
Detection And Identification ◽  
Wastewater Samples ◽  
Set Up

There is a paucity of information on biotransformation and stability of new psychoactive substances (NPS) in wastewater. Moreover, the fate of NPS and their transformation products (TPs) in wastewater treatment plants is not well understood. In this study, batch reactors seeded with activated sludge were set up to evaluate biotic, abiotic, and sorption losses of p-methoxymethylamphetamine (PMMA) and dihydromephedrone (DHM) and identify TPs formed during these processes. Detection and identification of all compounds was performed with target and suspect screening approaches using liquid chromatography quadrupole-time-of-flight mass spectrometry. Influent and effluent 24 h composite wastewater samples were collected from Athens from 2014 to 2020. High elimination rates were found for PMMA (80%) and DHM (97%) after a seven-day experiment and degradation appeared to be related to biological activity in the active bioreactor. Ten TPs were identified and the main reactions were O- and N-demethylation, oxidation, and hydroxylation. Some TPs were reported for the first time and some were confirmed by reference standards. Identification of some TPs was enhanced by the use of an in-house retention time prediction model. Mephedrone and some of its previously reported human metabolites were formed from DHM incubation. Retrospective analysis showed that PMMA was the most frequently detected compound.

scholarly journals Determination of Ketosteroids in Human Urine Using Dispersive Liquid-Liquid Microextraction and Ultra High-Performance Liquid Chromatography-High Resolution Mass Spectrometry

2021 ◽  
Vol 76 (11) ◽  
pp. 1305-1311
Author(s):  
E. V. Dmitrieva ◽  
A. Z. Temerdashev ◽  
A. K. Osipova
Keyword(s):  
Mass Spectrometry ◽  
Human Urine ◽  
High Performance ◽  
High Resolution Mass Spectrometry ◽  
High Sensitivity ◽  
Reversed Phase ◽  
Flight Mass Spectrometry ◽  
Dispersive Liquid Liquid Microextraction ◽  
Liquid Microextraction

Abstract A method is proposed for the determination of some ketosteroids in human urine, including enzymatic hydrolysis using β-glucuronidase from E. coli followed by dispersive liquid-liquid microextraction, derivatization of analytes with hydroxylamine, and detection by reversed-phase ultra-HPLC–quadrupole time-of-flight mass spectrometry. Optimization of extraction and derivatization conditions of the studied compounds made it possible to find that the highest recoveries were achieved using an acetone–chloroform mixture as a dispersant and an extractant, and the completeness of the derivatization reaction was achieved by thermostating the sample at 70°C for 90 min. The proposed method has high sensitivity (limits of detection in the range of 0.1–0.25 ng/mL) and a wide linearity range.

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