Additional Information
Book Details
Abstract
Mass spectrometric techniques have developed over recent years to offer ever increasing solutions to solving problems in food processing and packaging. Even the smallest amount of contamination in food can cause a problem for food production companies, thus they are keen to find speedy and efficient quality control methods.
This book outlines how ingredients and their interrelationship with processing and packaging have developed with the exploitation of mass spectrometry and gives practical protocols to stake holders showing the flexibility of this technique.
With huge relevance worldwide, this book will appeal to food packaging scientists and mass spectrometry practitioners alike.
Table of Contents
| Section Title | Page | Action | Price |
|---|---|---|---|
| Cover | Cover | ||
| Food Contact Materials Analysis: Mass Spectrometry Techniques | i | ||
| Preface | v | ||
| Contents | ix | ||
| Chapter 1 - Risk Assessment of Plastic-based Food Contact Materials: Focus on Polyolefins | 1 | ||
| 1.1 Introduction | 1 | ||
| 1.2 Evaluation of Analytical Approaches | 2 | ||
| 1.3 GPC: First Approach | 4 | ||
| 1.4 GC-MS and HPLC-MS Approaches | 5 | ||
| 1.5 Samples | 7 | ||
| 1.6 Characterization: SHS | 7 | ||
| 1.7 Characterization: TDS (Thermal Desorption System) | 14 | ||
| 1.8 Characterization: Solvent Extraction | 20 | ||
| 1.8.1 NIASs (Other than Hydrocarbons) and IASs with SMLs | 20 | ||
| 1.8.2 POHs and MOHs | 25 | ||
| 1.9 Conclusion | 30 | ||
| Abbreviations | 30 | ||
| Acknowledgements | 31 | ||
| References | 32 | ||
| Chapter 2 - Food Contact Paper and Paperboard: Examples of Gas and Liquid Chromatography Determinations | 35 | ||
| 2.1 Introduction | 35 | ||
| 2.1.1 Use of Mass Spectrometry Techniques for Conformity Requirements: GC-MS and LC-MS | 36 | ||
| 2.2 Mass Spectrometry for Non-target Determinations | 41 | ||
| References | 47 | ||
| Chapter 3 - Additives, Inks and Other Migrant Substances in Food Contact Materials | 48 | ||
| 3.1 Introduction to Food Contact Materials | 48 | ||
| 3.2 Additives | 49 | ||
| 3.2.1 Types of Additives | 50 | ||
| 3.2.1.1 Antioxidants | 50 | ||
| 3.2.1.2 Plasticizers | 50 | ||
| 3.2.1.3 Nucleating Agents/Fillers | 50 | ||
| 3.2.1.4 UV Absorbers | 51 | ||
| 3.2.1.5 Lubricants | 51 | ||
| 3.2.1.6 Antimicrobials | 51 | ||
| 3.2.1.7 Optical Brighteners | 51 | ||
| 3.2.1.8 Other Types of Additives Commonly Used in FCMs | 51 | ||
| 3.2.1.9 Printing Inks: Photoinitiators | 52 | ||
| 3.3 Non-intentionally Added Substances (NIASs) | 52 | ||
| 3.4 Migration from FCMs into Food or Simulants | 53 | ||
| 3.5 Legislation on FCMs | 54 | ||
| 3.6 Analysis of Potential Migrants | 54 | ||
| 3.6.1 Selection of Model Substances | 54 | ||
| 3.6.2 Sample Preparation | 59 | ||
| 3.6.2.1 Extraction: Selecting Appropriate Solvents | 59 | ||
| 3.6.2.1.1\rExtraction from FCMs.Several authors have used acetonitrile or methanol to extract a wide variety of chemicals from different FC... | 60 | ||
| 3.6.2.1.2\rExtraction from Food Simulants.Usually food simulants are relatively easy to analyze, since some of them can be injected directl... | 61 | ||
| 3.6.2.1.3\rExtraction from Food.Analysis of food is usually tedious, complicated and expensive, as there are multiple complex matrices that... | 61 | ||
| 3.6.2.2 QuEChERS | 61 | ||
| 3.6.2.3 Cleanup and Concentration of the Sample | 62 | ||
| 3.6.2.4 Filtration | 62 | ||
| 3.6.3 Mass Spectrometry for Determination and Identification of Migrants | 62 | ||
| 3.6.3.1 GC-MS | 63 | ||
| 3.6.3.2 LC-MS | 66 | ||
| 3.6.3.3 Multi-method Analyses Using Both LC-MS and GC-MS | 68 | ||
| 3.6.3.4 Inductively Coupled Plasma Mass Spectrometry (ICP-MS) | 70 | ||
| 3.6.3.5 High-resolution Mass Spectrometry (HRMS) | 70 | ||
| 3.6.3.5.1\rApplication of HRMS to the Analysis of Target Substances.As with the original MS systems, HRMS can be paired with LC for target ... | 72 | ||
| 3.6.3.6 Application of MS to the Analysis and Identification of Unknowns | 72 | ||
| 3.6.3.6.1\rIdentification of Volatile and Semivolatile Compounds.As described previously, GC-MS a suitable analytical technique for volatil... | 73 | ||
| 3.6.3.6.2\rIdentification of Non-volatile and Semivolatile Compounds.Identifying non-volatile and semivolatile substances is appropriately ... | 74 | ||
| 3.6.3.7 Direct Analysis in Real Time (DART-HRMS) | 74 | ||
| 3.7 Conclusion | 75 | ||
| Acknowledgements | 75 | ||
| References | 75 | ||
| Chapter 4 - Adhesives in Food Packaging | 82 | ||
| 4.1 Introduction | 82 | ||
| 4.2 Mass Spectrometry Techniques Used for the Analysis of Food Packaging Adhesives | 84 | ||
| 4.3 Migration Studies of Adhesive Components | 85 | ||
| 4.3.1 Volatile and Semivolatile Compounds from Adhesives | 85 | ||
| 4.3.1.1 Volatile and Semivolatile Compounds from Polyurethane Adhesives | 86 | ||
| 4.3.1.2 Volatile and Semivolatile Compounds from Acrylic Adhesives | 89 | ||
| 4.3.1.3 Volatile and Semivolatile Compounds from Hotmelt Adhesives | 91 | ||
| 4.3.2 Non-volatile Compounds from Adhesives | 93 | ||
| 4.3.2.1 Non-volatile Compounds from Polyurethane Adhesives | 93 | ||
| 4.3.2.2 Non-volatile Compounds from Acrylic Adhesives | 95 | ||
| 4.3.2.3 Non-volatile Compounds from Hotmelt Adhesives | 99 | ||
| 4.3.2.4 Non-volatile Compounds from Other Types of Adhesives | 100 | ||
| 4.4 Mass Spectrometry in Delamination Studies | 101 | ||
| 4.5 Conclusions and Trends | 102 | ||
| References | 103 | ||
| Chapter 5 - Volatile Compounds Through and from Packaging | 105 | ||
| 5.1 Introduction | 105 | ||
| 5.1.1 Volatile Organic Compounds | 105 | ||
| 5.1.2 Modelling Substance Migration in Food Contact Materials | 106 | ||
| 5.1.3 Target Volatiles | 108 | ||
| 5.1.4 Analytical Instrumentation | 108 | ||
| 5.1.4.1 Gas Chromatography | 109 | ||
| 5.1.4.2 Mass Spectrometry | 110 | ||
| 5.2 Analysis of Volatile Constituents of Food Contact Materials | 112 | ||
| 5.2.1 Establishing Initial Conditions | 112 | ||
| 5.2.2 Headspace Sampling | 112 | ||
| 5.2.2.1 Static Headspace | 112 | ||
| 5.2.2.2 Dynamic Headspace | 113 | ||
| 5.2.2.3 Purge-and-trap | 113 | ||
| 5.2.3 Gas-phase Extraction Techniques | 113 | ||
| 5.2.3.1 Solid-phase Microextraction | 113 | ||
| 5.2.3.2 Stir-bar Sorptive Extraction | 114 | ||
| 5.2.3.3 Thermal Desorption | 114 | ||
| 5.2.4 Liquid-phase Extraction Techniques | 116 | ||
| 5.2.4.1 Static Extraction and Sonication | 116 | ||
| 5.2.4.2 Soxhlet Extraction | 116 | ||
| 5.2.4.3 Accelerated Solvent Extraction | 116 | ||
| 5.2.4.4 Solvent-assisted Flavour Evaporation | 117 | ||
| 5.2.4.5 Liquid–Liquid Extraction | 117 | ||
| 5.2.5 Sample Cleanup | 118 | ||
| 5.2.5.1 Size-exclusion Chromatography | 118 | ||
| 5.2.5.2 Solid-phase Extraction | 118 | ||
| 5.3 Analysis of Volatile Substance Migration into FCMs | 118 | ||
| 5.3.1 Specific Migration Limits | 118 | ||
| 5.3.2 Examples of Migration Tests for Specific Targets and Matrices | 120 | ||
| 5.4 Analysis of Permeation Through FCMs | 128 | ||
| 5.4.1 Permeation Parameters | 128 | ||
| 5.4.2 Migration Tests for Barrier Properties | 130 | ||
| 5.4.3 Permeation Tests with Static or Dynamic Acceptor | 130 | ||
| 5.4.4 Lag-time Experiments | 131 | ||
| 5.4.5 Analysis of Odour-active Compounds in FCMs | 132 | ||
| 5.4.6 Screening Approaches for Volatiles in FCMs | 133 | ||
| 5.5 Ambient Desorption and Direct Injection Mass Spectrometry Techniques | 135 | ||
| 5.5.1 Direct Analytical Techniques | 135 | ||
| 5.5.2 Ambient Desorption | 135 | ||
| 5.5.3 Direct Injection Mass Spectrometry | 135 | ||
| References | 136 | ||
| Chapter 6 - Migration and Sensory Changes in Packaged Food Products | 139 | ||
| 6.1 Introduction | 139 | ||
| 6.2 Sensory Properties of Food and Beverages | 140 | ||
| 6.3 Changes of Sensory Properties | 143 | ||
| 6.3.1 Changes of Colour due to Mass Transfer | 144 | ||
| 6.3.2 Changes of Odour and Flavour due to Mass Transfer | 146 | ||
| 6.4 Food Packaging Materials | 148 | ||
| 6.4.1 Metal Packaging Materials | 148 | ||
| 6.4.2 Ceramic Packaging Materials | 148 | ||
| 6.4.3 Cellulosic Packaging Materials | 149 | ||
| 6.4.4 Plastic Packaging Materials | 149 | ||
| 6.5 Migration Phenomena | 151 | ||
| 6.5.1 Migration Models | 152 | ||
| 6.5.2 Phenomenal Description of Migration | 153 | ||
| 6.5.2.1 Negative Migration – Flavour Scalping | 153 | ||
| 6.5.2.2 Positive Migration Modalities | 154 | ||
| 6.6 Evidence-based Assessment | 155 | ||
| 6.6.1 Instrumental Evaluation | 156 | ||
| 6.6.2 Sensory Analysis | 158 | ||
| 6.7 Conclusion | 160 | ||
| References | 160 | ||
| Chapter 7 - Risk Assessment of Plastic Packaging for Food Applications | 163 | ||
| 7.1 Introduction | 163 | ||
| 7.2 Migration | 164 | ||
| 7.3 Multilayer Packaging | 165 | ||
| 7.4 Oxo-biodegradable Packaging | 166 | ||
| 7.5 Packaging from Recycled Polymers | 167 | ||
| 7.5.1 Printing Inks | 168 | ||
| 7.5.2 Non-intentionally Added Substances | 170 | ||
| 7.5.3 Oligomers | 172 | ||
| 7.6 Active Packaging | 172 | ||
| 7.7 Packaging with Nanomaterials | 175 | ||
| 7.8 Legislation | 176 | ||
| 7.9 Risk Assessment | 177 | ||
| 7.10 Analytical Methods | 178 | ||
| 7.10.1 Methods for Direct Analysis of the Polymer Surface | 178 | ||
| 7.10.2 Methods Including a Preconcentration Step | 178 | ||
| 7.10.3 Methods for the Analysis of Volatile Compounds | 180 | ||
| 7.10.4 Methods for the Analysis of Non-volatile Compounds | 180 | ||
| 7.10.5 Methods for the Analysis of Nanoparticles | 184 | ||
| References | 185 | ||
| Chapter 8 - Non-target/High-resolution Mass Spectrometric Strategies Combined with Proper Data Handling and Software Elaboration Applied to Food Contact Materials Issues | 192 | ||
| 8.1 Introduction | 192 | ||
| 8.2 Analysis and Identification | 193 | ||
| 8.2.1 Data Acquisition Mode | 194 | ||
| 8.2.2 Data Processing in Non-target Screening | 211 | ||
| 8.2.2.1 Data Reduction Strategies for HRAMS-acquired Data | 212 | ||
| 8.2.2.2 Identification of Prioritized Chemicals | 214 | ||
| 8.3 Risk Assessment of NIASs | 216 | ||
| 8.3.1 The Threshold of Toxicological Concern (TTC) Approach. Cramer Rules | 216 | ||
| 8.4 Conclusion | 220 | ||
| Acknowledgements | 221 | ||
| References | 221 | ||
| Chapter 9 - Migration of Nanomaterials from Food Contact Materials | 226 | ||
| 9.1 Introduction | 226 | ||
| 9.2 Release of Nanomaterials from Food Contact Materials | 228 | ||
| 9.3 Analytical Challenges of Migration Testing | 235 | ||
| 9.4 Conclusion and Outlook | 239 | ||
| References | 240 | ||
| Chapter 10 - Solutions Commonly Applied in Industry and Outsourced to Expert Laboratories | 245 | ||
| 10.1 Introduction | 245 | ||
| 10.2 Consultancy | 247 | ||
| 10.2.1 Defining the Analytical Procedure | 247 | ||
| 10.2.1.1 Extraction of Food Contact Materials | 247 | ||
| 10.2.1.2 Migration of Food Contact Materials | 248 | ||
| 10.2.1.3 Determination in Food | 248 | ||
| 10.2.2 Legal Background | 249 | ||
| 10.2.2.1 Defining Simulants | 249 | ||
| 10.2.2.2 Defining Time/Temperature Conditions | 250 | ||
| 10.3 Sample Preparation/Sample Handling | 250 | ||
| 10.3.1 Avoiding Contamination | 250 | ||
| 10.3.2 Samples in the Laboratory | 250 | ||
| 10.4 Selection of Analytical Method | 253 | ||
| 10.4.1 Target versus Non-targeted Analysis | 254 | ||
| 10.4.1.1 Target Analysis | 254 | ||
| 10.4.1.2 Non-target Analysis | 254 | ||
| 10.4.2 Selection of Mass Spectrometric Detector | 255 | ||
| 10.4.2.1 Unit-resolution MS | 255 | ||
| 10.4.2.2 High-resolution MS | 256 | ||
| 10.4.2.3 GC-MS Example | 256 | ||
| 10.4.2.4 LC-MS Examples | 257 | ||
| 10.5 Performing Analytical Tests | 258 | ||
| 10.6 Assessment of Results | 260 | ||
| 10.6.1 Single/Multiple Analytes | 260 | ||
| 10.6.2 Oligomers | 262 | ||
| 10.6.2.1 Structure of Known Oligomers Including Standards | 262 | ||
| 10.6.2.2 Structure of Known Oligomers Without Standards for Each Oligomer | 262 | ||
| 10.6.2.3 Structure of Known Oligomers With No Standards Available | 262 | ||
| 10.6.2.4 Structure of Unknown Oligomers and No Standards Available | 265 | ||
| 10.7 Future of Food Contact Material Analysis | 266 | ||
| References | 267 | ||
| Subject Index | 269 |