Recovery of 400 Chemicals with Three Extraction Methods for Low Volumes of Human Plasma Quantified by Instrumental Analysis and In Vitro Bioassays

Braun, Georg; Krauss, Martin; Escher, Beate I.

doi:10.1021/acs.est.3c05962

Cited by 5 publications

(2 citation statements)

References 48 publications

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“…Therefore, it was concluded that that 100% isohexane (H) was the optimum extraction solvent for the acetonitrile-plasma (A-P) supernatant; in subsequent sections we refer to this as the HA-P method. It is germane for us to note that a recent study investigating various extraction conditions for plasma exposomics reported the best quantitative performance for a hexane-acetonitrile-plasma extraction condition, but the authors chose alternate methods due to the assumption that the hexane layer would contain lipid interferences 55 ; as discussed later, the hexane layer in the HA-P method was in fact free from most lipid interferences.…”

Section: Resultsmentioning

confidence: 99%

Chemical Exposomics in Human Plasma by Lipid Removal and Large Volume Injection Gas Chromatography High-Resolution Mass Spectrometry

Xie,

Sdougkou,

Papazian

et al. 2024

Preprint

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For comprehensive chemical exposomics in blood, analytical workflows are evolving through advances in sample preparation and instrumental methods. We hypothesized that gas chromatography high-resolution mass spectrometry (GC-HRMS) workflows could be enhanced by minimizing lipid co-extractives, thereby enabling larger injection volumes and lower matrix interference for improved sensitivity and molecular discovery. A simple protocol was developed for small plasma volumes (100-200 µL) by using isohexane (H) to extract supernatants of acetonitrile-plasma (A-P). The HA-P method was quantitative for a wide range of hydrophobic multiclass target analytes (i.e. log Kow >3.0), and the extracts were free of major lipids, thereby enabling robust large-volume injections (LVI; 25 µL) in long sequences to a GC-Orbitrap HRMS. Without lipid removal, LVI was counter-productive because method sensitivity suffered from the abundant matrix signal, resulting in low ion injection times to the Orbitrap. The median method quantification limit was 0.08 ng/mL (range 0.005–4.83 ng/mL), and good accuracy was shown for a certified reference serum. Applying the method to plasma from a Swedish cohort (n=32; 100 µL), 51 of 103 target analytes were detected. Simultaneous nontarget analysis resulted in 112 structural annotations (12.8% annotation rate), and Level 1 identification was achieved for 7 of 8 substances in follow-up confirmations. The HA-P method is potentially scalable for application in cohort studies and is also compatible with many liquid-chromatography-based exposomics workflows.

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Section: Resultsmentioning

confidence: 99%

Chemical Exposomics in Human Plasma by Lipid Removal and Large Volume Injection Gas Chromatography High-Resolution Mass Spectrometry

Xie,

Sdougkou,

Papazian

et al. 2024

Preprint

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“…Currently, 96-well plate SPE devices that can process multiple samples simultaneously are now available on the market, in addition to conventional SPE devices that process one sample at a time. These instruments are now commercially available, and studies have been conducted using them [48,50,51]. Therefore, we developed an HTA based on a 96-well plate SPE that fully utilised the combination of an automated pipetting system and an automated SPE system to create a novel monitoring system for antimicrobials in the environmental waters.…”

Section: Introductionmentioning

confidence: 99%

Development of a High-Throughput Analytical Method for Antimicrobials in Wastewater Using an Automated Pipetting and Solid-Phase Extraction System

Azuma,

Matsunaga,

Ohmagari

et al. 2024

Antibiotics

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Antimicrobial resistance (AMR) has emerged and spread globally. Recent studies have also reported the presence of antimicrobials in a wide variety of aquatic environments. Conducting a nationwide monitoring survey of AMR in the environment to elucidate its status and to assess its impact on ecosystems and human health is of social importance. In this study, we developed a novel high-throughput analysis (HTA) system based on a 96-well plate solid-phase extraction (SPE), using automated pipetting and an SPE pre-treatment system. The effectiveness of the system as an HTA for antimicrobials in environmental water was verified by comparing it with a conventional manual analytical system in a domestic hospital over a period of two years and four months. The results of the manual analysis and HTA using a combination of automated pipetting and SPE systems were generally consistent, and no statistically significant difference was observed (p > 0.05) between the two systems. The agreement ratios between the measured concentrations based on the conventional and HTA methods were positively correlated with a correlation coefficient of r = 0.99. These results indicate that HTA, which combines automated pipetting and an SPE pre-treatment system for rapid, high-volume analysis, can be used as an effective approach for understanding the environmental contamination of antimicrobials at multiple sites. To the best of our knowledge, this is the first report to present the accuracy and agreement between concentrations based on a manual analysis and those measured using HTA in hospital wastewater. These findings contribute to a comprehensive understanding of antimicrobials in aquatic environments and assess the ecological and human health risks associated with antimicrobials and antimicrobial-resistant bacteria to maintain the safety of aquatic environments.

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Progress, applications, and challenges in high-throughput effect-directed analysis for toxicity driver identification — is it time for HT-EDA?

Alvarez-Mora,

Arturi,

Béen

et al. 2024

Anal Bioanal Chem

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The rapid increase in the production and global use of chemicals and their mixtures has raised concerns about their potential impact on human and environmental health. With advances in analytical techniques, in particular, high-resolution mass spectrometry (HRMS), thousands of compounds and transformation products with potential adverse effects can now be detected in environmental samples. However, identifying and prioritizing the toxicity drivers among these compounds remain a significant challenge. Effect-directed analysis (EDA) emerged as an important tool to address this challenge, combining biotesting, sample fractionation, and chemical analysis to unravel toxicity drivers in complex mixtures. Traditional EDA workflows are labor-intensive and time-consuming, hindering large-scale applications. The concept of high-throughput (HT) EDA has recently gained traction as a means of accelerating these workflows. Key features of HT-EDA include the combination of microfractionation and downscaled bioassays, automation of sample preparation and biotesting, and efficient data processing workflows supported by novel computational tools. In addition to microplate-based fractionation, high-performance thin-layer chromatography (HPTLC) offers an interesting alternative to HPLC in HT-EDA. This review provides an updated perspective on the state-of-the-art in HT-EDA, and novel methods/tools that can be incorporated into HT-EDA workflows. It also discusses recent studies on HT-EDA, HT bioassays, and computational prioritization tools, along with considerations regarding HPTLC. By identifying current gaps in HT-EDA and proposing new approaches to overcome them, this review aims to bring HT-EDA a step closer to monitoring applications. Graphical Abstract

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Recovery of 400 Chemicals with Three Extraction Methods for Low Volumes of Human Plasma Quantified by Instrumental Analysis and In Vitro Bioassays

Cited by 5 publications

References 48 publications

Chemical Exposomics in Human Plasma by Lipid Removal and Large Volume Injection Gas Chromatography High-Resolution Mass Spectrometry

Chemical Exposomics in Human Plasma by Lipid Removal and Large Volume Injection Gas Chromatography High-Resolution Mass Spectrometry

Development of a High-Throughput Analytical Method for Antimicrobials in Wastewater Using an Automated Pipetting and Solid-Phase Extraction System

Progress, applications, and challenges in high-throughput effect-directed analysis for toxicity driver identification — is it time for HT-EDA?

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