Evaluation of endogenous urinary biomarkers for indirect detection of urine adulteration attempts by five different chemical adulterants in mass spectrometry methods

Steuer, Andrea E.; Kamber, Dominique; Kræmer, Thomas

doi:10.1002/dta.2539

Cited by 9 publications

(17 citation statements)

References 27 publications

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“…Only little newly formed oxidation products, for example, 5‐hydroxyisourate, the oxidation product of UA, could be identified, given their missing mass spectral information in common databases (Steuer et al, 2017). Follow‐up characterization of selected biomarkers in validated targeted methods indicated promising performance for UA (specificity 1.0, sensitivity 0.9) and its oxidation products, indolylacryloylglycine (IAG, specificity 0.9, sensitivity 1.0), and acetylneuramic acid as markers for KNO 2 (Steuer, Arnold, et al, 2019) and four other chemical (oxidative) adulterants (Steuer, Kamber, & Kraemer, 2019). Instead of single markers, Streun et al (2021) evaluated the suitability of an artificial neural network (ANN) that should automatically classify an unknown urine sample as chemically adulterated or not.…”

Section: Current Applications Of Metabolomics In Clinical and Forensi...mentioning

confidence: 99%

Untargeted metabolomics approaches to improve casework in clinical and forensic toxicology—“Where are we standing and where are we heading?”

Steuer

Brockbals

Kræmer

2021

WIREs Forensic Science

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Clinical toxicology (CT) and forensic toxicology (FT) represent two disciplines of toxicology dedicated to the qualitative and quantitative analysis and respective interpretation of alcohol, drugs of abuse (DOA), over the counter (OTC), and prescription drugs or poisons, mainly in humans. Analytical challenges, such as the transient occurrence of new psychoactive substances (NPS) on the (il)legal drug market, insufficiently long detection windows of some DOAs, or the lack of objective measures to unambiguously proof sample manipulation as well as interpretative issues, for instance, the difficulty to discriminate occasional users from chronic/addictive ones still require further evaluation and research, though. Metabolomics is a rather new research field, aiming for qualitative, and quantitative analysis of endogenous compounds (small molecules with a molecular weight < 1000 Da) in an organism to identify changes related to a certain stimulus, for example, a drug intake. Over the last years, metabolomics has been established as a valuable tool in different disciplines, including very recently CT and FT. Analytical techniques usually applied include nuclear magnetic resonance and majorly hyphenated high-resolution mass spectrometry (HR-MS), similar to the instrumentation used in CT and FT. We will summarize practical considerations for each step of a typical untargeted metabolome workflow (experimental set-up, sample collection and storage, analysis, data processing, statistics, and identification) in CT and FT, provide an update on the current applications of untargeted metabolome profiling and will critically discuss its benefits or lack thereof within the particular field.

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Section: Current Applications Of Metabolomics In Clinical and Forensi...mentioning

confidence: 99%

Untargeted metabolomics approaches to improve casework in clinical and forensic toxicology—“Where are we standing and where are we heading?”

Steuer

Brockbals

Kræmer

2021

WIREs Forensic Science

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“…In a first untargeted approach it was possible to identify several potential biomarkers exemplified for adulteration attempts with KNO 2 using HRMS (Steuer et al, 2017). Further targeted metabolome studies utilizing a validated method for the selected markers provided promising results for uric acid (specificity 1.0, sensitivity 0.9) and two of its oxidation products, indolylacryloylglycine (specificity 0.9, sensitivity 1.0), and acetylneuramic acid as markers for KNO 2 (Steuer et al, 2018a) and four other chemical adulterants (Steuer et al, 2018b).…”

Section: Applications Of Metabolomics For Forensic (Toxicology) Purposesmentioning

confidence: 99%

Metabolomic Strategies in Biomarker Research–New Approach for Indirect Identification of Drug Consumption and Sample Manipulation in Clinical and Forensic Toxicology?

2019

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Drug of abuse (DOA) consumption is a growing problem worldwide, particularly with increasing numbers of new psychoactive substances (NPS) entering the drug market. Generally, little information on their adverse effects and toxicity are available. The direct detection and identification of NPS is an analytical challenge due to their ephemerality on the drug scene. An approach that does not directly focus on the structural detection of an analyte or its metabolites, would be beneficial for this complex analytical scenario and the development of alternative screening methods could help to provide fast response on suspected NPS consumption. A metabolomics approach might represent such an alternative strategy for the identification of biomarkers for different questions in DOA testing. Metabolomics is the monitoring of changes in small (endogenous) molecules (<1,000 Da) in response to a certain stimulus, e.g., DOA consumption. For this review, a literature search targeting “metabolomics” and different DOAs or NPS was conducted. Thereby, different applications of metabolomic strategies in biomarker research for DOA identification were identified: (a) as an additional tool for metabolism studies bearing the major advantage that particularly a priori unknown or unexpected metabolites can be identified; and (b) for identification of endogenous biomarker or metabolite patterns, e.g., for synthetic cannabinoids or also to indirectly detect urine manipulation attempts by chemical adulteration or replacement with artificial urine samples. The majority of the currently available literature in that field, however, deals with metabolomic studies for DOAs to better assess their acute or chronic effects or to find biomarkers for drug addiction and tolerance. Certain changes in endogenous compounds are detected for all studied DOAs, but often similar compounds/pathways are influenced. When evaluating these studies with regard to possible biomarkers for drug consumption, the observed changes appear, albeit statistically significant, too small to reliably work as biomarker for drug consumption. Further, different drugs were shown to affect the same pathways. In conclusion, metabolomic approaches possess potential for detection of biomarkers indicating drug consumption. More studies, including more sensitive targeted analyses, multi-variant statistical models or deep-learning approaches are needed to fully explore the potential of omics science in DOA testing.

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“…Another example is an acute paracetamol poisoning. 12 Steuer et al [13][14][15][16] described interesting metabolomic strategies for detection of sample manipulations using liquid chromatography-high resolution mass spectrometry (LC-HRMS). 4 Pitfalls concerning TDM in dried blood spots (DBS) are reviewed by Antunes et al 5 with special focus on influence of the hematocrit on the plasma concentrations.…”

Section: Samplingmentioning

confidence: 99%

“…9-11 recently systematic investigations of novel validity parameters in urine drug testing and prevalence of urine adulteration. 12 Steuer et al [13][14][15][16] described interesting metabolomic strategies for detection of sample manipulations using liquid chromatography-high resolution mass spectrometry (LC-HRMS). In their recent review article, 13 they discussed different applications of metabolomic strategies in biomarker research for indirect identification of drug consumption and sample manipulation.…”

Section: Samplingmentioning

confidence: 99%

Pitfalls in drug testing by hyphenated low‐ and high‐resolution mass spectrometry

Maurer

2020

Drug Testing and Analysis

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This paper reviews various pitfalls observed during developing, validation, application, and interpretation of drug testing approaches using GC-MS and low-and high-resolution LC-MS. They include sampling and storage of body samples, sample adulteration and contamination, analyte stability, sample preparation without or with cleavage of conjugates, extraction, derivatization, internal standardization, false negative and positive results by GC-MS or LC-MS screening and/or confirmation procedures including artifact formation, ion suppression or enhancement by electrospray ionization, and finally pitfalls in data interpretation. Conclusions and prospects close the Tutorial. K E Y W O R D S

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Evaluation of endogenous urinary biomarkers for indirect detection of urine adulteration attempts by five different chemical adulterants in mass spectrometry methods

Cited by 9 publications

References 27 publications

Untargeted metabolomics approaches to improve casework in clinical and forensic toxicology—“Where are we standing and where are we heading?”

Untargeted metabolomics approaches to improve casework in clinical and forensic toxicology—“Where are we standing and where are we heading?”

Metabolomic Strategies in Biomarker Research–New Approach for Indirect Identification of Drug Consumption and Sample Manipulation in Clinical and Forensic Toxicology?

Pitfalls in drug testing by hyphenated low‐ and high‐resolution mass spectrometry

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