NMR Metabolomics in Cancer Research

List of figures

List of tables

Abbreviations

About the author

Chapter 1: Introduction

Abstract:

1.1 Possibilities of NMR metabolomics in cancer research

Chapter 2: Biology – cancer metabolic phenotype

Abstract:

2.1 Cancer metabolic phenotype

2.2 Drugs aimed at cancer metabolic phenotype

Chapter 3: Experimental methodology

Abstract:

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

Abstract:

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

Abstract:

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

Abstract:

6.1 Dynamic metabolic data analysis

6.2 Computational models of metabolic networks

Chapter 7: Biomarker discovery

Abstract:

7.1 Feature (biomarkers) selection

7.2 Validation of results in supervised analysis

Chapter 8: NMR metabolomics application by cancer type

Abstract:

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

Index

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.

• 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