Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies

Metabolomics, Journal Year: 2018, Volume and Issue: 14(6)

Published: May 18, 2018

Quality assurance (QA) and quality control (QC) are two management processes that integral to the success of metabolomics including their application for acquisition high data in any high-throughput analytical chemistry laboratory. QA defines all planned systematic activities implemented before samples collected, provide confidence a subsequent process will fulfil predetermined requirements quality. QC can be defined as operational techniques used measure report these after acquisition. This tutorial review guide reader through use system suitability samples, why should applied how reported. System assess operation lack contamination platform prior sample analysis. Isotopically-labelled internal standards stability each analysed. Pooled condition platform, perform intra-study reproducibility measurements correct mathematically errors. Standard reference materials long-term inter-study inter-laboratory assessment data.

Language: Английский

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Recent advances in the application of metabolomics for food safety control and food quality analyses

Critical Reviews in Food Science and Nutrition, Journal Year: 2020, Volume and Issue: 61(9), P. 1448 - 1469

Published: May 22, 2020

As one of the omics fields, metabolomics has unique advantages in facilitating understanding physiological and pathological activities biology, physiology, pathology, food science. In this review, based on developments analytical chemistry tools, cheminformatics, bioinformatics methods, we highlight current applications safety, authenticity quality, traceability. Additionally, combined use with other techniques for "foodomics" is comprehensively described. Finally, latest advances, practical challenges limitations, requirements related to application are critically discussed, providing new insight into analysis.

Language: Английский

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Promises and pitfalls of untargeted metabolomics

Journal of Inherited Metabolic Disease, Journal Year: 2018, Volume and Issue: 41(3), P. 355 - 366

Published: March 13, 2018

Language: Английский

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Suspect and non-targeted screening of chemicals of emerging concern for human biomonitoring, environmental health studies and support to risk assessment: From promises to challenges and harmonisation issues

Environment International, Journal Year: 2020, Volume and Issue: 139, P. 105545 - 105545

Published: April 29, 2020

Large-scale suspect and non-targeted screening approaches based on high-resolution mass spectrometry (HRMS) are today available for chemical profiling holistic characterisation of biological samples. These advanced techniques allow the simultaneous detection a large number features, including markers human exposure. Such interest biomonitoring, environmental health studies support to risk assessment. Furthermore, these have promising capability detect chemicals emerging concern (CECs), document extent exposure, generate new research hypotheses provide early warning policy. Whilst growing importance in environment food safety areas, respectively, CECs remain poorly addressed field biomonitoring. This shortfall is due several scientific methodological reasons, global lack harmonisation. In this context, main aim paper present an overview basic principles, promises challenges applied samples as specific introduce major specificities compared other fields. Focused liquid chromatography coupled HRMS-based data acquisition methods, addresses all steps analytical workflows. Beyond general picture, activities carried out topic within particular framework European Human Biomonitoring initiative (project HBM4EU, 2017–2021) described, with emphasis harmonisation measures.

Language: Английский

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Analytical Techniques for Metabolomic Studies: A Review

Bioanalysis, Journal Year: 2019, Volume and Issue: 11(24), P. 2297 - 2318

Published: Dec. 1, 2019

Metabolomics is the comprehensive study of small-molecule metabolites. Obtaining a wide coverage metabolome challenging because broad range physicochemical properties small molecules. To compounds interest spectroscopic (NMR), spectrometric (MS) and separation techniques (LC, GC, supercritical fluid chromatography, CE) are used. The choice for given technique influenced by sample matrix, concentration metabolites, amount sample. This review discusses most commonly used analytical metabolomic studies, including their advantages, drawbacks some applications.

Language: Английский

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Pre-Analytical Factors that Affect Metabolite Stability in Human Urine, Plasma, and Serum: A Review

Metabolites, Journal Year: 2019, Volume and Issue: 9(8), P. 156 - 156

Published: July 25, 2019

Metabolomics provides a comprehensive assessment of numerous small molecules in biological samples. As it integrates the effects exogenous exposures, endogenous metabolism, and genetic variation, metabolomics is well-suited for studies examining metabolic profiles associated with variety chronic diseases. In this review, we summarize that have characterized various pre-analytical factors on both targeted untargeted metabolomic involving human plasma, serum, urine were published through 14 January 2019. A standardized protocol was used extracting data from full-text articles identified by searching PubMed EMBASE. For plasma serum samples, affected fasting status, hemolysis, collection time, processing delays, particularly at room temperature, repeated freeze/thaw cycles. time fasting, centrifugation conditions, filtration use additives, normalization procedures multiple cycles found to alter findings. Consideration important issue epidemiological where samples are often collected nonclinical settings locations subjected temperature delays prior being processed frozen storage.

Language: Английский

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Using MetaboAnalyst 4.0 for Metabolomics Data Analysis, Interpretation, and Integration with Other Omics Data

Methods in molecular biology, Journal Year: 2020, Volume and Issue: unknown, P. 337 - 360

Published: Jan. 1, 2020

Language: Английский

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Quality assurance and quality control reporting in untargeted metabolic phenotyping: mQACC recommendations for analytical quality management

Metabolomics, Journal Year: 2022, Volume and Issue: 18(9)

Published: Aug. 27, 2022

Abstract Background Demonstrating that the data produced in metabolic phenotyping investigations (metabolomics/metabonomics) is of good quality increasingly seen as a key factor gaining acceptance for results such studies. The use established control (QC) protocols, including appropriate QC samples, an important and evolving aspect this process. However, inadequate or incorrect reporting QA/QC procedures followed study may lead to misinterpretation overemphasis findings prevent future metanalysis body work. Objective aim guidance provide researchers with framework encourages them describe assessment outcomes mass spectrometry nuclear magnetic resonance spectroscopy-based methods untargeted metabolomics, focus on samples sufficient detail be understood, trusted replicated. There no intent proscriptive regard analytical best practices; rather, suggested. A template can completed studies progress ensure relevant collected, further documents, are provided on-line resources. Key practices Multiple topics should considered when protocols data. Coverage include role(s), sources, types, preparation uses materials generally employed generation metabolomic Details sample matrices preparation, test mixtures system suitability tests, blanks technique-specific factors discussed, importance criteria QCs. To end, at two levels detail: “minimal” “best practice” levels.

Language: Английский

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Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium (mQACC)

Metabolomics, Journal Year: 2022, Volume and Issue: 18(4)

Published: April 1, 2022

Abstract Introduction The metabolomics quality assurance and control consortium (mQACC) is enabling the identification, development, prioritization, promotion of suitable reference materials (RMs) to be used in (QA) (QC) for untargeted research. Objectives This review aims highlight current RMs, methodologies within lipidomics communities ensure standardization results obtained from data analysis, interpretation cross-study, cross-laboratory comparisons. essence also applicable other ‘omics areas that generate high dimensional data. Results potential game-changing biochemical discoveries through mass spectrometry-based (MS) are predicated on evolution more confident qualitative (and eventually quantitative) research laboratories. RMs thus critical QC tools able assure standardization, comparability, repeatability reproducibility interpretation, compare across studies multiple Standard operating procedures (SOPs) promote, describe exemplify use will improve communities. Conclusions application described this may significantly support continued development deployment new together with interlaboratory educational outreach training, further promote sound QA practices community.

Language: Английский

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GC-MS-based metabolomics of volatile organic compounds in exhaled breath: applications in health and disease. A review

Frontiers in Molecular Biosciences, Journal Year: 2024, Volume and Issue: 10

Published: Jan. 8, 2024

Exhaled breath analysis, with particular emphasis on volatile organic compounds, represents a growing area of clinical research due to its obvious advantages over other diagnostic tests. Numerous pathologies have been extensively investigated for the identification specific biomarkers in exhalates through metabolomics. However, transference tests clinics remains limited, mainly deficiency methodological standardization. Critical steps include selection sample types, collection devices, and enrichment techniques. GC-MS is reference analytical technique analysis compounds exhalates, especially during biomarker discovery phase This review comprehensively examines compares metabolomic studies focusing cancer, lung diseases, infectious diseases. In addition delving into experimental designs reported, it also provides critical discussion aspects, ranging from design potential pathology-specific biomarkers.

Language: Английский

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