Hyphenated high-resolution mass spectrometry—the “all-in-one” device in analytical toxicology?

Maurer, Hans H.

doi:10.1007/s00216-020-03064-y

Cited by 31 publications

(15 citation statements)

References 71 publications

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“…High-resolution MS devices allow the differentiation of isobaric compounds with the same nominal mass but different elemental compositions, but isomeric compounds can only be differentiated by fragmentation. 20 Further pitfalls in drug testing by hyphenated low-resolution and high-resolution MS have been described elsewhere. 19 Using bioanalytical methods, adherence can be assessed directly and objectively, 5 and it has been demonstrated that MS-based monitoring improves adherence.…”

Section: Resultsmentioning

confidence: 99%

Sample Matrices for Mass Spectrometry–Based Adherence Monitoring: A Systematic Critical Review

Jacobs,

Wagmann,

Meyer

2023

Therapeutic Drug Monitoring

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Background: Analytical monitoring of adherence using mass spectrometry (MS) plays an important role in clinical toxicology. Unambiguous detection of drugs (of abuse) and/or their metabolites in body fluids is needed to monitor intake of medication as prescribed or to monitor abstinence as a follow-up to detoxification procedures. This study focused on the advantages and disadvantages of different sample matrices used for MS-based adherence monitoring. Methods: Relevant articles were identified through a literature search in the PubMed database. English articles published between January 01, 2017, and December 31, 2022, were selected using the keywords “adherence assess*” or “adherence monit*” or “compliance assess*” or “compliance monit*” in combination with “mass spectrom*” in the title or abstract. Results: A total of 51 articles were identified, 37 of which were within the scope of this study. MS-based monitoring was shown to improve patient adherence to prescribed drugs. However, MS analysis may not be able to assess whether treatment was rigorously followed beyond the last few days before the sampling event, except when hair is the sample matrix. For medication adherence monitoring, blood-based analyses may be preferred because reference plasma concentrations are usually available, whereas for abstinence control, urine and hair samples have the advantage of extended detection windows compared with blood. Alternative sample matrices, such as dried blood samples, oral fluid, and exhaled breath, are suitable for at-home sampling; however, little information is available regarding the pharmacokinetics and reference ranges of drug (of abuse) concentrations. Conclusions: Each sample matrix has strengths and weaknesses, and no single sample matrix can be considered the gold standard for monitoring adherence. It is important to have sufficient information regarding the pharmacokinetics of target substances to select a sample matrix in accordance with the desired purpose.

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Section: Resultsmentioning

confidence: 99%

Sample Matrices for Mass Spectrometry–Based Adherence Monitoring: A Systematic Critical Review

Jacobs,

Wagmann,

Meyer

2023

Therapeutic Drug Monitoring

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“…or in application notes from major instrument manufacturers. In contrast, with greater mass resolution and accuracy, HRMS‐based screening approaches can cover thousands of drugs in a single analytical run, which is advantageous in STA 10,14,21 . Most common HRMS instruments are of the time‐of‐flight (TOF) or orbitrap types with compound libraries used for data interpretation 10 .…”

Section: A Brief Overview Of Commonly Applied Sta Methods In Forensic...mentioning

confidence: 99%

“…In the past decades, immunoassays, gas chromatography (GC), liquid chromatography (LC), and other chromatographic methods using various detectors, such as UV‐diode array detection, have commonly been used in STA 3,8 . More recently, there has been an increase in the application of hyphenated chromatographic and spectrometric methods, such as LC–tandem mass spectrometry (LC–MS/MS), GC–MS/MS, and highly selective and sensitive screening procedures using LC–high‐resolution MS (LC–HRMS) 9,10 . Despite the comprehensive description and review of the numerous methods employed for STA, the overall STA strategy comprising an overview of the method setups used for STA in the individual laboratories has been less commonly reported.…”

Section: Introductionmentioning

confidence: 99%

Overview of systematic toxicological analysis strategies and their coverage of substances in forensic toxicology

Rygaard

Pan

Nielsen

et al. 2023

Analytical Science Advances

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Systematic toxicological analysis (STA) is the process of using an adequate analytical methodology to detect and identify as many potentially toxicologically relevant compounds as possible in biological samples. STA is an important part of everyday routine work within forensic toxicology, and several methods for STA have frequently been published and reviewed independently. However, the many drugs and other substances involved, as well as the constant emergence of new ones, may pose a major challenge in STA, which often demands a strategy involving multiple analytical methods in parallel. Such strategies have been published and evaluated less frequently despite their relevance in forensic toxicology. This mini‐review briefly summarizes commonly applied methods for STA in forensic toxicology, including gas chromatography–mass spectrometry (GC–MS) and liquid chromatography–MS (LC–MS) methods, and highlights some of their potential pitfalls. Second, it provides an overview of previously reported strategies to conduct STA, including a presentation of the STA strategy applied in the authors’ laboratory. This involves broad drug screening by LC–high‐resolution MS, supported by targeted screening and quantification using LC–tandem MS, headspace (HS)‐GC–MS, HS‐GC–flame ionization detector and other complementary methods. The STA strategy aims to cover as many potentially relevant drugs as possible and seeks to reduce potential pitfalls arising in forensic casework. The review underlines that not every substance can be identified in all circumstances even with a comprehensive STA strategy.

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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), prescription drugs, or poisons, mainly in humans. Analytically, both apply similar techniques beginning with simple urine immunoassay (IA) prescreening procedures, followed or complemented with highly sophisticated confirmatory or general unknown screening (GUS) hyphenated chromatographic techniques; for example, gas chromatography (GC)-mass spectrometry (MS) or liquid chromatography (LC)-MS either in low or high resolution (HR; Drummer, 2007;Maurer, 2010Maurer, , 2021Meyer et al, 2014;Peters, 2011). Quantification of positive screening results in the blood is performed to assess the extent of exposure, the risk for drug side effects and complications, or the degree of impairment of toxicologically relevant compounds.…”

Section: Clinical and Forensic Toxicologymentioning

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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Hyphenated high-resolution mass spectrometry—the “all-in-one” device in analytical toxicology?

Cited by 31 publications

References 71 publications

Sample Matrices for Mass Spectrometry–Based Adherence Monitoring: A Systematic Critical Review

Sample Matrices for Mass Spectrometry–Based Adherence Monitoring: A Systematic Critical Review

Overview of systematic toxicological analysis strategies and their coverage of substances in forensic toxicology

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

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