Description
Modern strategies of chemical analysis for molecular sample characterization using both targeted and non-targeted approaches
Gas Chromatography-Mass Spectrometry for Omics Applications explores the subject of integrated analytical strategies around gas chromatography and mass spectrometry (GC-MS) for sample chemical characterization. The book walks through the full analytical workflow, from sample preparation to the type of GC separation and MS hyphenation, how to ensure analytical quality and how to analyze and interpret the resulting data.
The first section provides foundations of key areas like non-targeted and targeted analyses, sample preparation, separation and detection, data management and interpretation, and quality control. The second section focuses on these tools’ applied use, including metabolomics, plants, environmental contaminants, and the study of refined samples for industrial processes.
Gas Chromatography-Mass Spectrometry for Omics Applications includes insights on:
- Definitions and concepts for targeted and non-targeted chemical analysis, GC-suited sample preparation approaches for omics studies, and principles of high-resolution and hyphenated GC-MS and GC×GC-MS
- Basic principles of mass spectrometry, management and interpretation of GC and MS detailed data, system suitability and quality control in GC-MS and GC×GC-MS, considering both low and high-resolution MS
- Sampling and analysis of specialized metabolites in humans for diagnostic, prognostic, and monitoring purposes
- In-vivo and in-situ analysis of plant volatilome and specialized metabolites in biological systems
- Environmental and individual impact of pollution and contaminants and markers of quality, authenticity, safety in processed food samples
- Detailed compositional analysis of refinery products and plastic chemical recycling
With contributions from the top experts in the field, Gas Chromatography-Mass Spectrometry for Omics Applications is an excellent up-to-date reference for analytical chemists involved in food, environmental, petrochemical, biological, industrial, clinical, and other fields where GC-MS is a key analytical tool for the detailed chemical composition for routine and advanced analysis.
Table of Contents
List of Contributors xvii
Section I Basics and Fundamentals 1
1 Definitions and Concepts for Targeted and Nontargeted Chemical Analysis 3
Marco De Poli, Allan Polidoro, and Flavio A. Franchina
1.1 Introduction 3
1.2 Conceptual Foundations 4
1.3 Analytical Information Continuity 10
2 GC-Suited Sample Preparation Approaches for Omics Studies 21
Flavio A. Franchina, Damien Pierret, and Giorgia Purcaro
2.1 Introduction 21
2.2 Sampling Techniques for Volatile Analyte Analysis 23
2.3 Analysis of Semivolatiles Analytes 32
3 Principles of High-resolution GC and GC×GC 51
Peter Q. Tranchida, Micaela Galletta, and Luigi Mondello
3.1 Introduction 51
3.2 High-resolution GC 52
3.3 Multidimensional GC 56
4 Basic Principles of Mass Spectrometry 79
Nadine Gawlitta, Barbara Giocastro, Thomas Gröger, Beate Gruber, Christopher Rüger, Benedikt Weggler, and Ralf Zimmermann
4.1 Key Concepts and Definitions 79
4.2 Working Principles and Instrumentation 83
4.3 MS Data and Basic Data Handling 118
5 Management and Interpretation of GC and MS Detailed Data 139
Glaucimar A. P. de Resende, Allyson L. R. dos Santos, and Leandro W. Hantao
5.1 Fundaments 139
5.2 GC-MS Applications 142
5.3 GC×GC-MS Applications 145
5.4 Data Treatment 153
5.5 Conclusions and Perspectives 189
6 System Suitability and Quality Control in GC-MS and GC×GC-MS 201
Anaïs Rodrigues, Djulia Bensaada, Jean-François Focant, and Pierre-Hugues Stefanuto
6.1 Introduction 201
6.2 QA/QC Systems for Untargeted Metabolomics 202
6.3 System Suitability Testing in GC-MS 205
6.4 Advanced System Suitability for GC× GC-MS 209
6.5 Quality Control Strategies for Nontargeted Screening in Omics 221
6.6 Chemometric Tools for Quality Assurance in Annotation 224
6.7 Future Trends and Innovations 226
6.8 Conclusion 228
Section II Omics Applications 235
7 In-vivo and in-situ Analysis of Plant Volatilome: Strategies, Challenges, and Applications for Understanding Biogenic Volatile Organic Compound Emissions 237
Cecilia Cagliero and Carlo Bicchi
7.1 Introduction 238
7.2 Sampling Strategies 239
7.3 Quantification with in-vivo and in-situ Analysis: A Complex Task 247
7.4 Overview of Analytical Platforms 250
7.5 Applications 252
7.6 Conclusions and Future Trends 264
8.1 Part I – Specialized Metabolites in Biological Systems: Focus on Derivatized Metabolites in Human Studies 271
Jacopo Troisi and Martina Lombardi
8.1.1 Specialized Metabolites and Their Importance in Various Biological Processes 271
8.1.2 Biosynthetic Pathways in Animals for Specialized Metabolite Production 283
8.1.3 The Role of Derivatization in Enhancing Metabolite Analysis 286
8.1.4 Future Perspectives and Challenges 301
8.2 Part II – Specialized Metabolites in Biological Systems: Focus on Volatile Metabolites in Human and Microbial Studies 311
Allan Polidoro, Riccardo Di Stefano, Virginia Galliani, and Flavio A. Franchina
8.2.1 Introduction to Volatilomics 311
8.2.2 Exhaled Breath 313
8.2.3 Skin Emissions 325
8.2.4 Blood 331
8.2.5 Urine 335
8.2.6 Stool 338
8.2.7 In vitro and Ex vivo Models 341
8.2.8 Current Limitations and Future Directions in Volatilomics 346
9 Pollution and Contaminants: Environmental and Individual Impact 359
Lourdes Ramos
9.1 Introduction 359
9.2 Target, Suspect, and Nontarget Screening Analyses of Pollutants: General Considerations and Instrumentation 362
9.3 Application of GC-MS-based Technique to the Environmental Analysis of Pollutants 372
9.4 The Exposome Evaluation 390
9.5 Conclusions 395
10 Markers of Quality, Authenticity, and Safety in Processed Food Samples: The Omics Strategy 413
Andrea Caratti, Angelica Fina, Fulvia Trapani, Eloisa Bagnulo, Erica Liberto, Carlo Bicchi, and Chiara Cordero
10.1 Introduction 415
10.2 Applications of GC×GC in the Food-Omic Domains 425
10.3 Conclusions 439
11 Oil Refinery and Chemical Recycling of Plastics 455
Do Hyun Lee, Varaha Jayarama Krishna Jonnalagedda, and Hilal Ezgi Toraman
11.1 Introduction 455
11.2 Comprehensive Two-Dimensional GC (GC × GC) 457
11.2.3 Types of Detectors 459
11.4 Advancements in Chemical Recycling of Plastics 480
11.5 Discussions and Conclusions 489
Acknowledgments 491
References 491
Index 515
