Metabolomics

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John A. Mclean - One of the best experts on this subject based on the ideXlab platform.

  • Untargeted Metabolomics Strategies—Challenges and Emerging Directions
    Journal of The American Society for Mass Spectrometry, 2016
    Co-Authors: Alexandra C. Schrimpe-rutledge, Simona G. Codreanu, Stacy D. Sherrod, John A. Mclean
    Abstract:

    Metabolites are building blocks of cellular function. These species are involved in enzyme-catalyzed chemical reactions and are essential for cellular function. Upstream biological disruptions result in a series of metabolomic changes and, as such, the metabolome holds a wealth of information that is thought to be most predictive of phenotype. Uncovering this knowledge is a work in progress. The field of Metabolomics is still maturing; the community has leveraged proteomics experience when applicable and developed a range of sample preparation and instrument methodology along with myriad data processing and analysis approaches. Research focuses have now shifted toward a fundamental understanding of the biology responsible for metabolomic changes. There are several types of Metabolomics experiments including both targeted and untargeted analyses. While untargeted, hypothesis generating workflows exhibit many valuable attributes, challenges inherent to the approach remain. This Critical Insight comments on these challenges, focusing on the identification process of LC-MS-based untargeted Metabolomics studies—specifically in mammalian systems. Biological interpretation of Metabolomics data hinges on the ability to accurately identify metabolites. The range of confidence associated with identifications that is often overlooked is reviewed, and opportunities for advancing the Metabolomics field are described. Graphical Abstract ᅟ

  • untargeted Metabolomics strategies challenges and emerging directions
    Journal of the American Society for Mass Spectrometry, 2016
    Co-Authors: Alexandra C Schrimperutledge, Simona G. Codreanu, Stacy D. Sherrod, John A. Mclean
    Abstract:

    Metabolites are building blocks of cellular function. These species are involved in enzyme-catalyzed chemical reactions and are essential for cellular function. Upstream biological disruptions result in a series of metabolomic changes and, as such, the metabolome holds a wealth of information that is thought to be most predictive of phenotype. Uncovering this knowledge is a work in progress. The field of Metabolomics is still maturing; the community has leveraged proteomics experience when applicable and developed a range of sample preparation and instrument methodology along with myriad data processing and analysis approaches. Research focuses have now shifted toward a fundamental understanding of the biology responsible for metabolomic changes. There are several types of Metabolomics experiments including both targeted and untargeted analyses. While untargeted, hypothesis generating workflows exhibit many valuable attributes, challenges inherent to the approach remain. This Critical Insight comments on these challenges, focusing on the identification process of LC-MS-based untargeted Metabolomics studies-specifically in mammalian systems. Biological interpretation of Metabolomics data hinges on the ability to accurately identify metabolites. The range of confidence associated with identifications that is often overlooked is reviewed, and opportunities for advancing the Metabolomics field are described. Graphical Abstract ᅟ.

Anthony A Fodor - One of the best experts on this subject based on the ideXlab platform.

  • highlights of the 2012 research workshop using nutrigenomics and Metabolomics in clinical nutrition research
    Journal of Parenteral and Enteral Nutrition, 2013
    Co-Authors: Steven H Zeisel, Deborah M Muoio, Robert A Waterland, Jose M. Ordovas, Anthony A Fodor
    Abstract:

    : The American Society for Parenteral and Enteral Nutrition (A.S.P.E.N.) Research Workshop, "Using Nutrigenomics and Metabolomics in Clinical Nutrition Research," was held on January 21, 2012, in Orlando, Florida. The conference brought together experts in human nutrition who use nutrigenomic and metabolomic methods to better understand metabolic individuality and nutrition effects on health. We are beginning to understand how genetic variation and epigenetic events alter requirements for and responses to foods in our diet (the field of nutrigenetics/nutrigenomics and epigenetics). At the same time, methods for profiling almost all of the products of metabolism in plasma, urine, and tissues (Metabolomics) are being refined. The relationships between diet and nutrigenomic-metabolomic profiles, as well as between these profiles and health, are being elucidated, and this will dramatically alter clinical practice in nutrition.

  • highlights of the 2012 research workshop using nutrigenomics and Metabolomics in clinical nutrition research
    Journal of Parenteral and Enteral Nutrition, 2013
    Co-Authors: Steven H Zeisel, Deborah M Muoio, Robert A Waterland, Jose M. Ordovas, Anthony A Fodor
    Abstract:

    : The American Society for Parenteral and Enteral Nutrition (A.S.P.E.N.) Research Workshop, "Using Nutrigenomics and Metabolomics in Clinical Nutrition Research," was held on January 21, 2012, in Orlando, Florida. The conference brought together experts in human nutrition who use nutrigenomic and metabolomic methods to better understand metabolic individuality and nutrition effects on health. We are beginning to understand how genetic variation and epigenetic events alter requirements for and responses to foods in our diet (the field of nutrigenetics/nutrigenomics and epigenetics). At the same time, methods for profiling almost all of the products of metabolism in plasma, urine, and tissues (Metabolomics) are being refined. The relationships between diet and nutrigenomic-metabolomic profiles, as well as between these profiles and health, are being elucidated, and this will dramatically alter clinical practice in nutrition.

Simone Rochfort - One of the best experts on this subject based on the ideXlab platform.

  • standard reporting requirements for biological samples in Metabolomics experiments environmental context
    Metabolomics, 2007
    Co-Authors: Norman Morrison, Dan Bearden, Jacob G Bundy, Tim Collette, Felicity Currie, Matthew P Davey, Nathan S Haigh, David Hancock, Oliver A H Jones, Simone Rochfort
    Abstract:

    Metabolomic technologies are increasingly being applied to study biological questions in a range of different settings from clinical through to environmental. As with other high-throughput technologies, such as those used in transcriptomics and proteomics, Metabolomics continues to generate large volumes of complex data that necessitates computational management. Making sense of this wealth of information also requires access to sufficiently detailed and well annotated meta-data. Here we provide standard reporting requirements for describing biological samples, taken from an environmental context and involved in metabolomic experiments. It is our intention that these reporting requirements should guide and support the standardised annotation, dissemination and interpretation of environmental Metabolomics meta-data.

  • Metabolomics reviewed a new omics platform technology for systems biology and implications for natural products research
    Journal of Natural Products, 2005
    Co-Authors: Simone Rochfort
    Abstract:

    Metabolomics is the study of global metabolite profiles in a system (cell, tissue, or organism) under a given set of conditions. The analysis of the metabolome is particularly challenging due to the diverse chemical nature of metabolites. Metabolites are the result of the interaction of the system's genome with its environment and are not merely the end product of gene expression but also form part of the regulatory system in an integrated manner. Metabolomics has its roots in early metabolite profiling studies but is now a rapidly expanding area of scientific research in its own right. Metabolomics (or metabonomics) has been labeled one of the new "omics", joining genomics, transcriptomics, and proteomics as a science employed toward the understanding of global systems biology. Metabolomics is fast becoming one of the platform sciences of the "omics", with the majority of the papers in this field having been published only in the last two years. In this review metabolomic methodologies are discussed briefly followed by a more detailed review of the use of Metabolomics in integrated applications where Metabolomics information has been combined with other "omic" data sets (proteomics, transcriptomics) to enable greater understanding of a biological system. The potential of Metabolomics for natural product drug discovery and functional food analysis, primarily as incorporated into broader "omic" data sets, is discussed.

Gary J. Patti - One of the best experts on this subject based on the ideXlab platform.

  • Separation strategies for untargeted Metabolomics
    Journal of Separation Science, 2011
    Co-Authors: Gary J. Patti
    Abstract:

    Metabolomics has rapidly become a profiling technique of choice for biomarker elucidation and molecular diagnostics in addition to studies focused on understanding disease pathogenesis. Key to the success of Metabolomics in these areas has been the techniques to separate and analyze the chemically diverse group of compounds comprising the metabolome by using global and untargeted approaches. Untargeted metabolomic efforts have the goal of examining as many metabolites as possible simultaneously and most frequently use an LC/MS-based approach. Here, the importance of LC in an untargeted metabolomic workflow is outlined and separation strategies for optimization are reviewed within the context of these criteria.

Richard D. Beger - One of the best experts on this subject based on the ideXlab platform.

  • Towards quality assurance and quality control in untargeted Metabolomics studies
    Metabolomics, 2019
    Co-Authors: Richard D. Beger, Warwick B. Dunn, Abbas Bandukwala, Bianca Bethan, David Broadhurst, Clary B. Clish, Surendra Dasari, Leslie Derr, Annie Evans, Steve Fischer
    Abstract:

    We describe here the agreed upon first development steps and priority objectives of a community engagement effort to address current challenges in quality assurance (QA) and quality control (QC) in untargeted metabolomic studies. This has included (1) a QA and QC questionnaire responded to by the Metabolomics community in 2015 which recommended education of the Metabolomics community, development of appropriate standard reference materials and providing incentives for laboratories to apply QA and QC; (2) a 2-day ‘Think Tank on Quality Assurance and Quality Control for Untargeted Metabolomic Studies’ held at the National Cancer Institute’s Shady Grove Campus and (3) establishment of the Metabolomics Quality Assurance and Quality Control Consortium (mQACC) to drive forward developments in a coordinated manner.

  • General, Applied and Systems Toxicology - Metabolomics in Systems Toxicology: Towards Personalized Medicine
    General Applied and Systems Toxicology, 2011
    Co-Authors: Laura K. Schnackenberg, Richard D. Beger
    Abstract:

    Metabolomics along with systems biology technologies such as transcriptomics and proteomics has the capability of providing translational diagnostic, prognostic and mechanistic biomarkers of drug-induced injury. Metabolomics has several advantages over the other omics platforms, such as ease of sample preparation, data acquisition and use of biofluids collected through minimally invasive procedures in pre-clinical and clinical studies. The role of Metabolomics in systems toxicology is reviewed and examples of Metabolomics in pre-clinical and clinical studies are provided. The role of Metabolomics in personalized medicine is provided with special sections focusing on drug–drug and drug–nutrient interactions, metabolic fluxes and challenge tests. Keywords: Metabolomics; metabonomics; metabolic fluxes; biomarkers; personalized medicine; systems biology