NMR Metabolomics in Cancer Research

NMR Metabolomics in Cancer Research

1st Edition - December 17, 2012

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  • Author: Miroslava Čuperlović-Culf
  • eBook ISBN: 9781908818263
  • Hardcover ISBN: 9781907568848

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The application of nuclear magnetic resonance (NMR) metabolomics in cancer research requires an understanding of the many possibilities that NMR metabolomics can offer, as well as of the specific characteristics of the cancer metabolic phenotype and the open questions in cancer research. NMR metabolomics in cancer research presents a detailed account of the NMR spectroscopy methods applied to metabolomics mixture analysis along with a discussion of their advantages and disadvantages. Following an overview of the potential use of NMR metabolomics in cancer research, the book begins with an examination of the cancer metabolic phenotype and experimental methodology, before moving on to cover data pre-processing and data analysis. Chapters in the latter part of the book look at dynamic metabolic profiling, biomarker discovery, and the application of NMR metabolomics for different types of cancer, before a concluding chapter discusses future perspectives in the field.

Key Features

  • Focused description of NMR spectroscopy needed by cancer biologists who are starting to use metabolomics
  • Current overview of knowledge related to the cancer metabolic phenotype from the perspective of metabolomics applications
  • Information about the best practices in NMR metabolomics experimentation and data preprocessing as applied to different sample types


Researchers or graduate students starting to do metabolomics either from the perspective of cancer biology or medicine, NMR spectroscopy or data analysis; Researchers in academic, industry or government settings

Table of Contents

  • List of figures

    List of tables


    About the author

    Chapter 1: Introduction


    1.1 Possibilities of NMR metabolomics in cancer research

    Chapter 2: Biology – cancer metabolic phenotype


    2.1 Cancer metabolic phenotype

    2.2 Drugs aimed at cancer metabolic phenotype

    Chapter 3: Experimental methodology


    3.1 Fundamentals of NMR spectroscopy

    3.2 1D NMR in mixture analysis

    3.3 Multidimensional NMR in metabolomics

    3.4 Arrayed NMR experiments

    3.5 Isotope labeling for NMR analysis

    3.6 Diagnostic magnetic resonance tools based on cancer metabolic phenotype and cancer-induced metabolic changes

    Chapter 4: Metabolomics NMR data preprocessing – analysis of individual spectrum


    4.1 NMR spectrum preprocessing

    4.2 Qualitative metabolomics

    4.3 STOCSY

    4.4 Quantitative metabolomics

    4.5 Novel metabolite structure analysis

    Chapter 5: Metabolomics data analysis – processing and analysis of a dataset


    5.1 Normalization and scaling

    5.2 Biases and confounders in metabolomics

    5.3 Data analysis

    5.4 Data integration – polyomics analysis

    Chapter 6: Dynamic metabolic profiling and metabolite network and pathways modeling


    6.1 Dynamic metabolic data analysis

    6.2 Computational models of metabolic networks

    Chapter 7: Biomarker discovery


    7.1 Feature (biomarkers) selection

    7.2 Validation of results in supervised analysis

    Chapter 8: NMR metabolomics application by cancer type


    8.1 Breast cancer

    8.2 Brain cancers

    8.3 Lung cancer metabolomics analysis and results

    8.4 Metabolomics analysis of biofluids in cancer research

    Chapter 9: Perspectives


Product details

  • No. of pages: 446
  • Language: English
  • Copyright: © Woodhead Publishing 2012
  • Published: December 17, 2012
  • Imprint: Woodhead Publishing
  • eBook ISBN: 9781908818263
  • Hardcover ISBN: 9781907568848

About the Author

Miroslava Čuperlović-Culf

Dr Miroslava Cuperlovic-Culf is a Research Officer at the National Research Council of Canada Institute for Information Technology, an Adjunct Professor of Chemistry at Mount Allison University and an Adjunct Researcher at the Atlantic Cancer Research Institute. She has a range of publications and patents resulting from research in NMR spectral analysis and modelling, bioinformatics data analysis and computational biology for cellular pathway modelling, as applied to cancer research.

Affiliations and Expertise

National Research Council of Canada Institute for Information Technology, Canada

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