Main description:

Highlights the importance and benefit of mass spectrometry-based metabolomics for identifying biomarkers that accurately screen for potential biomarkers of diseases

Mass spectrometry-based metabolomics offer new opportunities for biomarker discovery in complex diseases and may provide pathological understanding of diseases beyond traditional technologies. It is the systematic analysis of low-molecular-weight metabolites in biological samples and has been applied to discovering and identifying the perturbed pathways. Currently, mass spectrometry-based metabolomics has become an important tool in clinical research and the diagnosis of human disease.

Mass Spectrometry-Based Metabolomics in Clinical and Herbal Medicines comprehensively presents the current state, challenges, and applications of high-throughput mass spectrometry-based metabolomics such as metabolites analysis, biomarker discovery, technical challenges, discovery of natural product, mechanism interpretation of action, discovery of active ingredients, clinical application and precision medicine, and enhancing their biomedical value in a real world of biomedicine, shedding light on the potential for spectrometry-based metabolomics. It highlights the value of mass spectrometry-based metabolomics and metabolism to address the complexity of herbal medicines in systems pharmacology, especially, to link phytochemical analysis with the assessment of pharmacological effect and therapeutic potential. Each chapter has been laid out with introduction, method, up-to-date literature, identification of biomarker, and applications

Covers the current state, challenges, and applications of high-throughput mass spectrometry-based metabolomics in the discovery of biomarker, active ingredients, natural product, etc.
Constitutes a unique and indispensable practical guide for any phytochemistry or related laboratory, and provides hands-on description of new techniques
Provides a guide for new practitioners of pharmacologists, pharmacological scholars, drug developers, botanist, researchers of traditional medicines.

Mass Spectrometry-Based Metabolomics in Clinical and Herbal Medicines provides a landmark of mass spectrometry-based metabolomics research and a beneficial guideline to graduate students and researchers in academia, industry, and technology transfer organizations in all biomedical science fields.

Contents:

Preface xiii

1 Current State of the Art of High-Throughput Metabolomics 1
Aihua Zhang, Qiang Yang, Hui Sun, and Xijun Wang

1.1 Introduction 1

1.2 Metabolomics 1

1.3 Mass Spectrometry Technology 2

1.4 Recent Advancements and Applications 4

1.4.1 Disease Diagnoses and Metabolism 4

1.4.2 Metabolic Mechanisms 6

1.4.3 Drug Efficacy 7

1.4.4 Nutrition 7

1.4.5 Plant Biology 8

1.5 Limitation 8

1.6 Conclusions and Future Perspectives 9

Acknowledgments 9

References 9

2 Innovations in Analytical Techniques of Metabolomics 19
Ling Kong, Aihua Zhang, Shi Qiu, and Xijun Wang

2.1 Introduction 19

2.2 Current Analytical Technologies of Metabolomics 20

2.3 Chromatography Platform 21

2.3.1 Gas Chromatography Technique 21

2.3.2 Liquid Chromatography Technique 21

2.3.3 Supercritical Fluid Chromatography Technique 22

2.3.4 Capillary Electrophoresis Chromatography Technique 22

2.4 Mass Spectrometry Platform 23

2.4.1 GC-MS Technique 23

2.4.2 LC-MS Technique 24

2.4.3 SFC-MS Technique 24

2.4.4 CE-MS Technique 24

2.5 Nuclear Magnetic Resonance Platform 25

2.6 Comprehensive and Multidimensional Analytical Platform 25

2.7 Conclusions 25

Acknowledgments 26

References 26

3 Sample Preparation Method for Mass Spectrometry-Based Metabolomics 33
Shi Qiu, Aihua Zhang, Hui Sun, and Xijun Wang

3.1 Introduction 33

3.2 Sample Collection and Storage 34

3.2.1 Urine 34

3.2.2 Plasma and Serum 35

3.2.3 Cerebrospinal Fluids 35

3.2.4 Tissue Homogenates 35

3.2.5 Saliva 36

3.3 Sample Preparation and Processing 36

3.4 Application 37

3.5 Future Development 38

Acknowledgments 38

References 38

4 Multivariate Data Analysis Approach for Mass Spectrometry-Based Metabolomics 45
Junling Ren, Aihua Zhang, Ling Kong, and Xijun Wang

4.1 Introduction 45

4.2 Separation-Based MS Techniques 46

4.2.1 Gas Chromatography-Mass Spectrometry 46

4.2.2 Liquid Chromatography-Mass Spectrometry 46

4.2.2.1 Reversed-Phase Liquid Chromatography-Mass Spectrometry 47

4.2.2.2 Hydrophilic Interaction Chromatography-Mass Spectrometry 47

4.2.2.3 Supercritical Fluid Chromatography-Mass Spectrometry 48

4.2.3 Capillary Electrophoresis-Mass Spectrometry 48

4.2.4 Ion Mobility-Mass Spectrometry 49

4.3 Separation-Free MS Techniques 49

4.3.1 Direct Infusion-Mass Spectrometry 49

4.3.2 Matrix-Assisted Laser Desorption Ionization-Mass Spectrometry 50

4.3.3 Mass Spectrometry Imaging 50

4.3.4 Direct Analysis in Real Time-Mass Spectrometry 51

4.4 Tools for MS Result Analysis 51

4.5 Multivariate Statistical Analysis Approach for Data Analysis 53

4.6 Limitations and Challenges 57

4.7 Conclusions and Future Perspectives 58

Acknowledgments 60

References 60

5 Mass Spectrometry-Driven Metabolomics for Metabolites and Metabolic Pathway Analysis 67
Aihua Zhang, Hui Sun, Shi Qiu, and Xijun Wang

5.1 Introduction 67

5.2 Mass Spectrometry-Driven Metabolomics for Biomarker Discovery 69

5.3 Data Extraction and Analysis for Metabolites and Metabolic Pathway 69

5.4 Biomarker Identification 70

5.5 Applications 70

5.6 Conclusions 73

Acknowledgments 73

References 73

6 Metabolomics as Drivers for Biomarker Discovery and Mechanism Interpretation 81
Wanying Wang, Aihua Zhang, Hui Sun, Guangli Yan, and Xijun Wang

6.1 Introduction 81

6.2 Metabolomics for Biomarker Discovery 82

6.3 Metabolomics for Mechanism Interpretation 83

6.4 Application 85

6.5 Current Trends and Future Perspectives 88

6.6 Conclusions 89

Acknowledgments 89

References 89

7 Current Status of Technical Challenges in Mass Spectrometry-Driven Metabolomics 97
Shi Qiu, Aihua Zhang, Hui Sun, and Xijun Wang

7.1 Introduction 97

7.2 Metabolic Fingerprinting and Profiling 98

7.3 Non-targeted or Targeted Metabolomics 99

7.4 Metabolite Identification Bottleneck 99

7.5 Quality Control Bottleneck 101

7.6 Mass Spectrometry Techniques 102

7.6.1 LC-MS 102

7.6.2 GC-MS 103

7.6.3 NMR-MS 104

7.7 Prospects 105

7.8 Conclusions 105

Acknowledgments 105

References 106

8 The Application of Metabolomics in Cancer Management 113
Aihua Zhang, Hui Sun, and Xijun Wang

8.1 Introduction 113

8.2 Epidemiology and Diagnosis 114

8.3 Prospective Biomarkers 114

8.4 Metabolomics Screening Biomarkers 117

8.5 Conclusions and Future Directions 117

Acknowledgments 118

References 118

9 Metabolomics in Coronary Heart Disease: From Biomarker Identification to Pathomechanism Insights 123
Hui Sun, Aihua Zhang, Shi Qiu, and Xijun Wang

9.1 Introduction 123

9.2 Predicament 126

9.3 Metabolomics for CHD 126

9.4 Biomarker Dilemma 127

9.5 Lipid Metabolism 128

9.6 Treatment of Herbal Medicine 128

9.7 Conclusions and Future Direction 129

Acknowledgments 129

References 130

10 Metabolomics Applications in Neurological Disease 135
Shi Qiu, Ying Han, Aihua Zhang, Hui Sun, and Xijun Wang

10.1 Introduction 135

10.2 CSF Sampling 136

10.3 Application of Metabolomics in CNS 136

10.4 Future Direction 137

10.5 Conclusions 138

Acknowledgments 139

References 139

11 Metabolomics Toward Precision Medicine 143
Aihua Zhang, Shi Qiu, Hui Sun, Guangli Yan, and Xijun Wang

11.1 Introduction 143

11.2 Precision Medicine: A New Era of Medicine 144

11.3 Precision Biomarkers 145

11.4 Metabolomics as a Powerful Tool for Potential Biomarkers 146

11.5 Practical Application of Metabolomics 147

11.6 Precision Medicine for Herbal Medicine 148

11.7 Conclusions and Future Perspectives 150

Acknowledgments 151

References 151

12 Mass Spectrometry-Based Metabolomics Toward Biological Function Analysis 157
Shi Qiu, Wanying Wang, Aihua Zhang, and Xijun Wang

12.1 Introduction 157

12.2 Current Trend and Challenge of Disease Phenotype 158

12.3 Advances in Mass Spectrometry Analytic Technique 158

12.4 Advantages of Mass Spectrometry-Based Metabolomics 159

12.5 Mass Spectrometry-Based Metabolomics for Biological Function 159

12.6 Limitations of MS-Based Metabolomics 165

12.7 Future Perspectives 165

12.8 Conclusions 166

Acknowledgments 166

References 166

13 Mass Spectrometry-Driven Active Ingredients Discovery from Herbal Medicine 171
Wanying Wang, Aihua Zhang, Shi Qiu, and Xijun Wang

13.1 Introduction 171

13.2 An Overview of Herbal Medicine 172

13.3 Mass Spectrometry to Identify the Chemical Constituents 173

13.4 Mass Spectrometry for Constituent Analysis In Vivo 173

13.5 Mass Spectrometry-Based Chinmedomics Strategy 175

13.6 Application 175

13.7 Conclusions and Future Perspectives 176

Acknowledgments 177

References 177

14 Metabolomics Application in Herbal Medicine 185
Wanying Wang, Aihua Zhang, Hui Sun, and Xijun Wang

14.1 Introduction 185

14.2 Metabolomic Dissection of Herbal Medicine 186

14.3 Application in Herbal Medicine 189

14.3.1 Effect Evaluations 189

14.3.2 Mechanism Explorations 192

14.3.3 Quality Control Analyses 193

14.4 Conclusions 194

Acknowledgments 194

References 194

15 Mass Spectrometry-Based Metabolomics Insights into the Mode of Action of Natural Products 199
Junling Ren, Aihua Zhang, Hui Sun, and Xijun Wang

15.1 Introduction 199

15.2 Metabolomics: An Overview 200

15.2.1 Comprehensive Metabolomics for Metabolites Detection 200

15.2.2 Understanding Pharmacological Effects 200

15.2.3 Discovery of Biomarkers and Targets 201

15.2.4 Screen Bioactive Natural Products 201

15.3 Superiority of MS-Based Metabolomics 201

15.3.1 Enhanced MS Coverage for Small-Molecule Metabolites 202

15.3.2 MS-Based Metabolomics Guided Biochemical Analysis 202

15.3.3 Identify Molecular Mechanisms by Integrating MS with Databases 202

15.4 Mass Spectrometry Techniques Employed in Metabolomics 202

15.4.1 Gas Chromatography-Mass Spectrometry 203

15.4.2 Liquid Chromatography-Mass Spectrometry 203

15.4.3 Capillary Electrophoresis-Mass Spectrometry 203

15.4.4 Ion Mobility-Mass Spectrometry 204

15.4.5 Mass Spectrometry Imaging 204

15.4.6 New Challenges in MS-Based Metabolomics 204

15.5 Challenges of Natural Products 205

15.6 Herbal Ingredients: Current Research and Applications 205

15.6.1 Various Analytical Strategies for Herbal Ingredients 205

15.6.2 Effective Constituents In Vitro and In Vivo 206

15.7 MS in Natural Product 206

15.7.1 Qualitative Analysis 206

15.7.2 Quantitative Analysis 207

15.7.3 Mechanism Analysis of Action 207

15.8 MS-Based Metabolomics in Bioactive Ingredients 208

15.8.1 Reveal Efficacy of HMs 208

15.8.2 High-Throughput Analysis of HMs 209

15.8.3 Discovery of Quality Markers 209

15.8.4 Toxicity Explorations 211

15.8.5 Potential Impacts on Drug Discovery 211

15.9 Conclusions and Future Perspective 212

Acknowledgment 212

References 213

16 Mass Spectrometry-Driven Lipidomics for Biomarker, Molecular Mechanism, and Therapy 223
Qiang Yang, Shi Qiu, Aihua Zhang, and Xijun Wang

16.1 Introduction 223

16.2 Lipidomics Method 223

16.2.1 Targeted Lipidomics 224

16.2.2 Non-targeted Lipidomics 225

16.3 Sample Preparation 225

16.4 Analytical Techniques in Lipidomics 227

16.4.1 Liquid Chromatography-Mass Spectrometry 227

16.4.2 Gas Chromatography-Mass Spectrometry 228

16.4.3 Supercritical Fluid Chromatography-Mass Spectrometry 228

16.4.4 Ion Mobility-Mass Spectrometry 228

16.4.5 Mass Spectrometry Imaging 229

16.4.6 Shotgun Lipidomics 229

16.5 Lipidomics for Biomarker Discovery 229

16.6 Application of MS-Based Lipidomics 230

16.6.1 Efficacy Analysis 230

16.6.2 Food Science 231

16.6.3 Environment 231

16.6.4 Clinical Biomarker Discovery 232

16.6.5 Pharmacological Research 232

16.6.6 Toxicology Analysis 232

16.7 Future Perspectives 233

16.8 Conclusions 234

Acknowledgments 234

References 234

17 Potential Application of Mass Spectrometry-Based Lipidomics for Herbal Medicine 245
Ying Cai, Aihua Zhang, Hui Sun, and Xijun Wang

17.1 Introduction 245

17.2 Lipidomics Method 246

17.2.1 Sample Preparation 246

17.2.1.1 Classical Method 246

17.2.1.2 Green Technologies 247

17.2.2 Data Collection and Analysis of Lipidomics 248

17.2.2.1 Untargeted Lipidomics 248

17.2.2.2 Targeted Lipidomics 249

17.2.2.3 Pseudotargeted Lipidomics 249

17.3 Mass Spectrometry Technique in Lipidomics 250

17.3.1 Ionization Technology 250

17.3.2 Mass Analyzer 251

17.3.3 Tandem Mass Spectrometry 252

17.3.4 Ion Mobility-Mass Spectrometry 252

17.3.5 Mass Spectrometry Imaging 253

17.4 Application of Mass Spectrometry-Based Lipidomics for Herbal Medicine 253

17.5 Conclusions 255

Acknowledgments 255

References 255

Index 263