Proton Transfer Reaction Mass Spectrometry. Principles and Applications

  • ID: 2182736
  • Book
  • 366 Pages
  • John Wiley and Sons Ltd
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Proton transfer reaction mass spectrometry (PTR–MS) is a specialist technique for detecting and identifying very small quantities amounts of organic gases in air. It is used mostly in atmospheric research, but also has applications in environmental science, pollution science, food science, and medical diagnosis. It is used as a monitoring system in various industries, e.g. measuring volatile organic compounds (VOCs) emitted by waste incineration plants.

This book aims to provide a comprehensive account of the technique, and includes coverage of the basic principles, experimental techniques, and a detailed account of its various applications. Written by two leading researchers, the book will be essential reading for researchers, technicians, postgraduate students and professionals in industry.

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Quotation xiii

Preface xv

SECTION 1 FUNDAMENTALS

1 Background 3

1.1 Volatile Organic Compounds in the Earth s Atmosphere 3

1.2 Volatile Organic Compounds in Other Environments 5

1.3 Techniques for VOC Measurements 6

1.4 Emergence of Proton Transfer Reaction Mass Spectrometry 15

References 23

2 Chemical Ionization: Chemistry, Thermodynamics and Kinetics 25

2.1 Introduction 25

2.2 Proton Transfer 27

2.3 Other Chemical Ionization Processes 44

References 45

3 Experimental: Components and Principles 49

3.1 Introduction 49

3.2 Ion Extraction and Ion Optics 50

3.3 Ion Sources 57

3.4 Drift Tubes 64

3.5 Mass Spectrometry 76

3.6 Ion Detectors 97

3.7 Analogue versus Digital Signal Processing 103

References 106

4 Quantitative Analysis 111

4.1 Introduction 111

4.2 Extracting the Concentration of a Trace Gas from PTR–MS 111

4.3 Normalized Counts per Second 112

4.4 Why Calibrate? 113

4.5 Calibration Techniques 116

4.6 Effect of Humidity 120

4.7 Accuracy, Precision and Limit of Detection 122

4.8 Validation of PTR–MS 125

References 126

SECTION 2 APPLICATIONS

5 PTR–MS in the Environmental Sciences 131

5.1 Background 131

5.2 Use of Reagent Ions Other Than H3O+ 138

5.3 Biogenic VOCs 141

5.4 Anthropogenic VOCs 156

5.5 Biomass Burning 166

5.6 Applications of PTR–MS to Laboratory Studies of Atmospheric Chemistry 169

5.7 Plant Studies 178

5.8 Outlook for Atmospheric and Environmental Applications of PTR–MS 201

References 201

6 PTR–MS in the Food Sciences 219

6.1 Background 219

6.2 Combined GC MS and PTR–MS Studies for Food Analysis 221

6.3 Mass Spectral Fingerprinting 224

6.4 Flavour Release and Perception 225

6.5 Food Classification, Food Quality and Food Control 243

6.6 Outlook for Food Science and Technology Applications 254

References 255

7 PTR–MS in the Medical Sciences 265

7.1 Background 265

7.2 Breath Analysis 266

7.3 Online PTR–MS Measurements of Volatile Emissions from Microbial Cultures 288

7.4 Other Medical Applications 295

References 300

8 Applications of PTR–MS to Homeland Security: The Detection of Threat Agents 309

8.1 Background 309

8.2 Explosives 310

8.3 Chemical Warfare Agents and Toxic Industrial Chemicals 319

8.4 Narcotics 320

8.5 Date Rape Drugs 323

8.6 Ion Mobility Mass Spectrometry and PTR–MS: A Brief Comparison for Homeland Security Applications 324

8.7 Future Directions 325

References 326

9 Liquid Analysis Using PTR–MS 329

9.1 Determination of Henry s Law Constants Using PTR–MS 329

9.2 Analysis of Liquids 331

References 334

Index

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Andrew M Ellis, Department of Chemistry, University of Leicester, Leicester

Christopher A Mayhew, School of Physics & Astronomy, University of Birmingham, Birmingham
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