High-Throughput Analysis for Food Safety
Herausgegeben von Wang, Perry G.; Vitha, Mark F.; Kay, Jack F.
High-Throughput Analysis for Food Safety
Herausgegeben von Wang, Perry G.; Vitha, Mark F.; Kay, Jack F.
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This book focuses on high-throughput analyses for food safety. Because of the contributors domestic and international expertise from industry and government the book appeals to a wider audience. It includes the latest development in rapid screening, with a particular emphasis on the growing use and applicability of a variety of stand-alone mass spectrometry methods as well as using mass spectrometry in hyphenated techniques such as gas chromatograph mass spectrometry (GC-MS) and liquid chromatography mass spectrometry (LC-MS). Readers will be educated to the field of food safety and rapid…mehr
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This book focuses on high-throughput analyses for food safety. Because of the contributors domestic and international expertise from industry and government the book appeals to a wider audience. It includes the latest development in rapid screening, with a particular emphasis on the growing use and applicability of a variety of stand-alone mass spectrometry methods as well as using mass spectrometry in hyphenated techniques such as gas chromatograph mass spectrometry (GC-MS) and liquid chromatography mass spectrometry (LC-MS). Readers will be educated to the field of food safety and rapid testing in the most commonly used techniques.
Divided into three parts (Basics of High Throughput Analyses, Mass Spectrometry in High Throughput Analyses, and International Food Safety Testing) this book covers many important aspects of high-throughput analyses for food safety.
Divided into three parts (Basics of High Throughput Analyses, Mass Spectrometry in High Throughput Analyses, and International Food Safety Testing) this book covers many important aspects of high-throughput analyses for food safety.
Produktdetails
- Produktdetails
- Chemical Analysis: A Series of Monographs on Analytical Chemistry and Its Applications
- Verlag: Wiley & Sons
- 1. Auflage
- Seitenzahl: 298
- Erscheinungstermin: 22. September 2014
- Englisch
- Abmessung: 240mm x 161mm x 21mm
- Gewicht: 639g
- ISBN-13: 9781118396308
- ISBN-10: 1118396308
- Artikelnr.: 40190789
- Chemical Analysis: A Series of Monographs on Analytical Chemistry and Its Applications
- Verlag: Wiley & Sons
- 1. Auflage
- Seitenzahl: 298
- Erscheinungstermin: 22. September 2014
- Englisch
- Abmessung: 240mm x 161mm x 21mm
- Gewicht: 639g
- ISBN-13: 9781118396308
- ISBN-10: 1118396308
- Artikelnr.: 40190789
PERRY G. WANG, PHD, is a research chemist in the Office of Regulatory Science, CFSAN, US FDA. Prior to joining the FDA, Dr. Wang worked in the pharmaceutical and medical device industries. His expertise in the pharmaceutical field focuses on high-throughput drug analysis by LC-MS/MS. His current research at the FDA includes developing analytical methods for chemical ingredients in cosmetics and personal care products by GC-MS/MS and LC-MS/MS. This book is edited in his private capacity but not as an employee of the FDA. MARK F. VITHA, PHD, is a professor at Drake University. He is the editor of The Chemical Analysis Series (Wiley) and the co-editor of Interfaces and Interphases in Analytical Chemistry. In 2011, he was awarded the Windsor Professor of Science and the Ronald D. Troyer Research Fellowship. JOHN F. KAY, PHD, is a chemist and recently retired as the R&D manager at the UK Veterinary Medicines Directorate. For almost 20 years he actively participated in the Codex Alimentarius Committee on Residues of Veterinary Drugs in Food and remains on the JECFA expert roster 2012-2016 for veterinary drug residues. He has held an Honorary Senior Research Fellowship in the Department of Mathematics and Statistics at the University of Strathclyde, Scotland since 2005.
PREFACE xi CONTRIBUTORS xiii CHAPTER 1 INTRODUCTION: BASIC PRINCIPLES OF
ASSAYS TO BE COVERED, SAMPLE HANDLING, AND SAMPLE PROCESSING 1 Wanlong
Zhou, Eugene Y. Chang, and Perry G. Wang 1.1 Introduction 1 1.1.1 Current
Situation and Challenges of Food Safety and Regulations 1 1.1.2 Residues
and Matrices of Food Analysis and High-Throughput Analysis 2 1.1.3 Food
Safety Classifications 3 1.1.4 "High Throughput" Definition 3 1.1.5 Scope
of the Book 4 1.2 Advanced Sample Preparation Techniques 5 1.2.1 Automation
of Weighing and Preparing Standard Solutions 5 1.2.2 QuEChERS 6 1.2.3
Swedish Extraction Technique (SweEt) and Other Fast Sample Preparation
Methods 6 1.2.4 Turbulent Flow Chromatography 7 1.2.5 Pressurized Liquid
Extraction 7 1.2.6 Automated 96- and 384-Well Formatted Sample Preparation
as well as Automated SPE Workstations 8 1.2.7 Solid-Phase Microextraction 8
1.2.8 Microextraction by Packed Sorbent 9 1.2.9 Liquid Extraction Surface
Analysis 9 1.2.10 Headspace GC 10 1.2.11 Summary 10 1.3 Future Perspectives
10 Acknowledgment 11 References 11 CHAPTER 2 SURVEY OF MASS
SPECTROMETRY-BASED HIGH-THROUGHPUT METHODS IN FOOD ANALYSIS 15 Lukas
Vaclavik, Tomas Cajka, Wanlong Zhou, and Perry G. Wang 2.1 Introduction 15
2.2 Techniques Employing Chromatographic Separation 15 2.2.1 Gas
Chromatography-Mass Spectrometry 15 2.2.2 Liquid Chromatography-Mass
Spectrometry 21 2.3 Direct Techniques 30 2.3.1 Matrix-Assisted Laser
Desorption/Ionization-Mass Spectrometry 30 2.3.2 Headspace (Solid-Phase
Microextraction)-Mass Spectrometry E-Nose 37 2.3.3 Ambient
Desorption/Ionization-Mass Spectrometry 38 2.4 Concluding Remarks 62
Acknowledgments 62 References 63 CHAPTER 3 QUALITY SYSTEMS, QUALITY CONTROL
GUIDELINES AND STANDARDS, METHOD VALIDATION, AND ONGOING ANALYTICAL QUALITY
CONTROL 73 David Galsworthy and Stewart Reynolds 3.1 Introduction 73 3.1.1
Quality System Design 73 3.1.2 Procedures 74 3.1.3 Roles and
Responsibilities 74 3.1.4 Quality Manual 74 3.1.5 Document Control 74 3.1.6
Control of Records 75 3.1.7 Audits 75 3.1.8 Validation of Methodology 75
3.1.9 Staff Competency 75 3.1.10 Internal Quality Control 76 3.1.11 Method
Performance Criteria 76 3.2 Qualitative Screening Methods 76 3.2.1
Selectivity of Mass Spectrometry-Based Methods 78 3.2.2 Confirmatory
Methods 78 3.2.3 Validation of Qualitative Screening Multiresidue Methods
for Pesticide Residues in Foods 79 3.3 Elements of the Analytical Workflow
80 3.3.1 Sample Preparation 80 3.3.2 Effects of Sample Processing 81 3.3.3
Extraction Efficiency 81 3.4 Initial Method Validation 81 3.5 Ongoing
Analytical Quality Control 86 3.5.1 Internal Quality Control 86 3.5.2
Proficiency Testing 86 3.6 Validation of Qualitative Screening Multiresidue
Methods for Veterinary Drug Residues in Foods 87 3.6.1 EU Legislation
Covering Method Validation for Veterinary Drug Screening 87 3.6.2
Determination of Specificity/Selectivity and Detection Capability (CCß)
Using the Classical Approach 88 3.6.3 Establishment of a Cutoff Level and
Calculation of CCß 88 3.6.4 Determination of the Applicability 89 3.7
Conclusions 90 References 90 CHAPTER 4 DELIBERATE CHEMICAL CONTAMINATION
AND PROCESSING CONTAMINATION 93 Stephen Lock 4.1 Introduction 93 4.2
Heat-Induced Food Processing Contaminants 97 4.3 Packaging Migrants 101 4.4
Malicious Contamination of Food 105 References 111 CHAPTER 5 MULTIRESIDUAL
DETERMINATION OF 295 PESTICIDES AND CHEMICAL POLLUTANTS IN ANIMAL FAT BY
GEL PERMEATION CHROMATOGRAPHY (GPC) CLEANUP COUPLED WITH GC-MS/MS,
GC-NCI-MS, AND LC-MS/MS 117 Yan-Zhong Cao, Yong-Ming Liu, Na Wang, Xin-Xin
Ji, Cui-Cui Yao, Xiang Li, Li-Li Shi, Qiao-Ying Chang, Chun-Lin Fan, and
Guo-Fang Pang 5.1 Introduction 117 5.1.1 Persistent Organic Pollutants 118
5.1.2 Polycyclic Aromatic Hydrocarbons 119 5.1.3 Polychlorinated Biphenyls
119 5.1.4 Phthalate Esters 120 5.1.5 Multiclass and Multiresidue Analyses
120 5.2 Experiment 122 5.2.1 Instruments 122 5.2.2 Reagents 122 5.2.3
Preparation of Standard Solutions 122 5.2.4 Sample Preparation 123 5.2.5
Analytical Methods 124 5.2.6 Qualitative and Quantitative Determination 136
5.3 Results and Discussion 136 5.3.1 Selection of GPC Cleanup Conditions
136 5.3.2 Selection of Extraction Solvent 138 5.3.3 Comparison of Sample
Extraction Methods 150 5.3.4 Comparison of Sample Cleanup 151 5.3.5 Linear
Range, LOD, and LOQ 152 5.3.6 Recoveries and Precisions 152 5.3.7 Actual
Sample Analysis 157 5.4 Conclusions 161 References 162 CHAPTER 6
ULTRAHIGH-PERFORMANCE LIQUID CHROMATOGRAPHY COUPLED WITH HIGH-RESOLUTION
MASS SPECTROMETRY: A RELIABLE TOOL FOR ANALYSIS OF VETERINARY DRUGS IN FOOD
167 María del Mar Aguilera-Luiz, Roberto Romero-González, Patricia
Plaza-Bolaños, José Luis Martínez Vidal, and Antonia Garrido Frenich 6.1
Introduction 167 6.2 Veterinary Drug Legislation 168 6.3 Analytical
Techniques for VD Residue Analysis 172 6.3.1 Chromatographic Separation 174
6.3.2 High-Resolution Mass Spectrometers 175 6.4 Food Control Applications
181 6.4.1 Screening Applications 181 6.4.2 Confirmation and Quantification
Methods 191 6.4.3 Comparison Studies 195 6.5 Conclusions and Future Trends
201 Acknowledgments 202 References 203 CHAPTER 7 A ROLE FOR HIGH-RESOLUTION
MASS SPECTROMETRY IN THE HIGH-THROUGHPUT ANALYSIS AND IDENTIFICATION OF
VETERINARY MEDICINAL PRODUCT RESIDUES AND OF THEIR METABOLITES IN FOODS OF
ANIMAL ORIGIN 213 Eric Verdon, Dominique Hurtaud-Pessel, and
Jagadeshwar-Reddy Thota 7.1 Introduction 213 7.2 Issues Associated with
Veterinary Drug Residues and European Regulations 215 7.3 Choosing a
Strategy: Targeted or Nontargeted Analysis? 216 7.3.1 Targeted Analysis
Using HRMS 218 7.3.2 Nontargeted Analysis Using HRMS: Screening for Unknown
Compounds 219 7.4 Application Number 1: Identification of Brilliant Green
and its Metabolites in Fish under High-Resolution Mass Spectral Conditions
(Targeted and Nontargeted Approaches) 220 7.5 Application Number 2:
Targeted and Nontargeted Screening Approaches for the Identification of
Antimicrobial Residues in Meat 223 7.6 Conclusions 227 References 227
CHAPTER 8 HIGH-THROUGHPUT ANALYSIS OF MYCOTOXINS 231 Marta Vaclavikova,
Lukas Vaclavik, and Tomas Cajka 8.1 Introduction 231 8.1.1 Legislation and
Regulatory Limits 231 8.1.2 Emerging Mycotoxins 237 8.1.3 Analysis of
Mycotoxins in the High-Throughput Environment 238 8.2 Sample Preparation
239 8.2.1 Sampling 240 8.2.2 Matrices of Interest 240 8.2.3 Extraction of
Mycotoxins 241 8.2.4 Purification of Sample Extracts 246 8.3 Separation and
Detection of Mycotoxins 247 8.3.1 Liquid Chromatography-Mass
Spectrometry-Based Methods 248 8.3.2 High-Resolution Mass Spectrometry in
Mycotoxins Analysis 250 8.4 No-Separation Mass Spectrometry-Based Methods
252 8.4.1 Matrix-Assisted Laser Desorption Ionization-Mass Spectrometry 252
8.4.2 Ambient Ionization Mass Spectrometry 253 8.4.3 Ion Mobility
Spectrometry 254 8.4.4 Immunochemical Methods 256 8.5 Conclusions 259
Acknowledgments 259 References 259 INDEX 267
ASSAYS TO BE COVERED, SAMPLE HANDLING, AND SAMPLE PROCESSING 1 Wanlong
Zhou, Eugene Y. Chang, and Perry G. Wang 1.1 Introduction 1 1.1.1 Current
Situation and Challenges of Food Safety and Regulations 1 1.1.2 Residues
and Matrices of Food Analysis and High-Throughput Analysis 2 1.1.3 Food
Safety Classifications 3 1.1.4 "High Throughput" Definition 3 1.1.5 Scope
of the Book 4 1.2 Advanced Sample Preparation Techniques 5 1.2.1 Automation
of Weighing and Preparing Standard Solutions 5 1.2.2 QuEChERS 6 1.2.3
Swedish Extraction Technique (SweEt) and Other Fast Sample Preparation
Methods 6 1.2.4 Turbulent Flow Chromatography 7 1.2.5 Pressurized Liquid
Extraction 7 1.2.6 Automated 96- and 384-Well Formatted Sample Preparation
as well as Automated SPE Workstations 8 1.2.7 Solid-Phase Microextraction 8
1.2.8 Microextraction by Packed Sorbent 9 1.2.9 Liquid Extraction Surface
Analysis 9 1.2.10 Headspace GC 10 1.2.11 Summary 10 1.3 Future Perspectives
10 Acknowledgment 11 References 11 CHAPTER 2 SURVEY OF MASS
SPECTROMETRY-BASED HIGH-THROUGHPUT METHODS IN FOOD ANALYSIS 15 Lukas
Vaclavik, Tomas Cajka, Wanlong Zhou, and Perry G. Wang 2.1 Introduction 15
2.2 Techniques Employing Chromatographic Separation 15 2.2.1 Gas
Chromatography-Mass Spectrometry 15 2.2.2 Liquid Chromatography-Mass
Spectrometry 21 2.3 Direct Techniques 30 2.3.1 Matrix-Assisted Laser
Desorption/Ionization-Mass Spectrometry 30 2.3.2 Headspace (Solid-Phase
Microextraction)-Mass Spectrometry E-Nose 37 2.3.3 Ambient
Desorption/Ionization-Mass Spectrometry 38 2.4 Concluding Remarks 62
Acknowledgments 62 References 63 CHAPTER 3 QUALITY SYSTEMS, QUALITY CONTROL
GUIDELINES AND STANDARDS, METHOD VALIDATION, AND ONGOING ANALYTICAL QUALITY
CONTROL 73 David Galsworthy and Stewart Reynolds 3.1 Introduction 73 3.1.1
Quality System Design 73 3.1.2 Procedures 74 3.1.3 Roles and
Responsibilities 74 3.1.4 Quality Manual 74 3.1.5 Document Control 74 3.1.6
Control of Records 75 3.1.7 Audits 75 3.1.8 Validation of Methodology 75
3.1.9 Staff Competency 75 3.1.10 Internal Quality Control 76 3.1.11 Method
Performance Criteria 76 3.2 Qualitative Screening Methods 76 3.2.1
Selectivity of Mass Spectrometry-Based Methods 78 3.2.2 Confirmatory
Methods 78 3.2.3 Validation of Qualitative Screening Multiresidue Methods
for Pesticide Residues in Foods 79 3.3 Elements of the Analytical Workflow
80 3.3.1 Sample Preparation 80 3.3.2 Effects of Sample Processing 81 3.3.3
Extraction Efficiency 81 3.4 Initial Method Validation 81 3.5 Ongoing
Analytical Quality Control 86 3.5.1 Internal Quality Control 86 3.5.2
Proficiency Testing 86 3.6 Validation of Qualitative Screening Multiresidue
Methods for Veterinary Drug Residues in Foods 87 3.6.1 EU Legislation
Covering Method Validation for Veterinary Drug Screening 87 3.6.2
Determination of Specificity/Selectivity and Detection Capability (CCß)
Using the Classical Approach 88 3.6.3 Establishment of a Cutoff Level and
Calculation of CCß 88 3.6.4 Determination of the Applicability 89 3.7
Conclusions 90 References 90 CHAPTER 4 DELIBERATE CHEMICAL CONTAMINATION
AND PROCESSING CONTAMINATION 93 Stephen Lock 4.1 Introduction 93 4.2
Heat-Induced Food Processing Contaminants 97 4.3 Packaging Migrants 101 4.4
Malicious Contamination of Food 105 References 111 CHAPTER 5 MULTIRESIDUAL
DETERMINATION OF 295 PESTICIDES AND CHEMICAL POLLUTANTS IN ANIMAL FAT BY
GEL PERMEATION CHROMATOGRAPHY (GPC) CLEANUP COUPLED WITH GC-MS/MS,
GC-NCI-MS, AND LC-MS/MS 117 Yan-Zhong Cao, Yong-Ming Liu, Na Wang, Xin-Xin
Ji, Cui-Cui Yao, Xiang Li, Li-Li Shi, Qiao-Ying Chang, Chun-Lin Fan, and
Guo-Fang Pang 5.1 Introduction 117 5.1.1 Persistent Organic Pollutants 118
5.1.2 Polycyclic Aromatic Hydrocarbons 119 5.1.3 Polychlorinated Biphenyls
119 5.1.4 Phthalate Esters 120 5.1.5 Multiclass and Multiresidue Analyses
120 5.2 Experiment 122 5.2.1 Instruments 122 5.2.2 Reagents 122 5.2.3
Preparation of Standard Solutions 122 5.2.4 Sample Preparation 123 5.2.5
Analytical Methods 124 5.2.6 Qualitative and Quantitative Determination 136
5.3 Results and Discussion 136 5.3.1 Selection of GPC Cleanup Conditions
136 5.3.2 Selection of Extraction Solvent 138 5.3.3 Comparison of Sample
Extraction Methods 150 5.3.4 Comparison of Sample Cleanup 151 5.3.5 Linear
Range, LOD, and LOQ 152 5.3.6 Recoveries and Precisions 152 5.3.7 Actual
Sample Analysis 157 5.4 Conclusions 161 References 162 CHAPTER 6
ULTRAHIGH-PERFORMANCE LIQUID CHROMATOGRAPHY COUPLED WITH HIGH-RESOLUTION
MASS SPECTROMETRY: A RELIABLE TOOL FOR ANALYSIS OF VETERINARY DRUGS IN FOOD
167 María del Mar Aguilera-Luiz, Roberto Romero-González, Patricia
Plaza-Bolaños, José Luis Martínez Vidal, and Antonia Garrido Frenich 6.1
Introduction 167 6.2 Veterinary Drug Legislation 168 6.3 Analytical
Techniques for VD Residue Analysis 172 6.3.1 Chromatographic Separation 174
6.3.2 High-Resolution Mass Spectrometers 175 6.4 Food Control Applications
181 6.4.1 Screening Applications 181 6.4.2 Confirmation and Quantification
Methods 191 6.4.3 Comparison Studies 195 6.5 Conclusions and Future Trends
201 Acknowledgments 202 References 203 CHAPTER 7 A ROLE FOR HIGH-RESOLUTION
MASS SPECTROMETRY IN THE HIGH-THROUGHPUT ANALYSIS AND IDENTIFICATION OF
VETERINARY MEDICINAL PRODUCT RESIDUES AND OF THEIR METABOLITES IN FOODS OF
ANIMAL ORIGIN 213 Eric Verdon, Dominique Hurtaud-Pessel, and
Jagadeshwar-Reddy Thota 7.1 Introduction 213 7.2 Issues Associated with
Veterinary Drug Residues and European Regulations 215 7.3 Choosing a
Strategy: Targeted or Nontargeted Analysis? 216 7.3.1 Targeted Analysis
Using HRMS 218 7.3.2 Nontargeted Analysis Using HRMS: Screening for Unknown
Compounds 219 7.4 Application Number 1: Identification of Brilliant Green
and its Metabolites in Fish under High-Resolution Mass Spectral Conditions
(Targeted and Nontargeted Approaches) 220 7.5 Application Number 2:
Targeted and Nontargeted Screening Approaches for the Identification of
Antimicrobial Residues in Meat 223 7.6 Conclusions 227 References 227
CHAPTER 8 HIGH-THROUGHPUT ANALYSIS OF MYCOTOXINS 231 Marta Vaclavikova,
Lukas Vaclavik, and Tomas Cajka 8.1 Introduction 231 8.1.1 Legislation and
Regulatory Limits 231 8.1.2 Emerging Mycotoxins 237 8.1.3 Analysis of
Mycotoxins in the High-Throughput Environment 238 8.2 Sample Preparation
239 8.2.1 Sampling 240 8.2.2 Matrices of Interest 240 8.2.3 Extraction of
Mycotoxins 241 8.2.4 Purification of Sample Extracts 246 8.3 Separation and
Detection of Mycotoxins 247 8.3.1 Liquid Chromatography-Mass
Spectrometry-Based Methods 248 8.3.2 High-Resolution Mass Spectrometry in
Mycotoxins Analysis 250 8.4 No-Separation Mass Spectrometry-Based Methods
252 8.4.1 Matrix-Assisted Laser Desorption Ionization-Mass Spectrometry 252
8.4.2 Ambient Ionization Mass Spectrometry 253 8.4.3 Ion Mobility
Spectrometry 254 8.4.4 Immunochemical Methods 256 8.5 Conclusions 259
Acknowledgments 259 References 259 INDEX 267
PREFACE xi CONTRIBUTORS xiii CHAPTER 1 INTRODUCTION: BASIC PRINCIPLES OF
ASSAYS TO BE COVERED, SAMPLE HANDLING, AND SAMPLE PROCESSING 1 Wanlong
Zhou, Eugene Y. Chang, and Perry G. Wang 1.1 Introduction 1 1.1.1 Current
Situation and Challenges of Food Safety and Regulations 1 1.1.2 Residues
and Matrices of Food Analysis and High-Throughput Analysis 2 1.1.3 Food
Safety Classifications 3 1.1.4 "High Throughput" Definition 3 1.1.5 Scope
of the Book 4 1.2 Advanced Sample Preparation Techniques 5 1.2.1 Automation
of Weighing and Preparing Standard Solutions 5 1.2.2 QuEChERS 6 1.2.3
Swedish Extraction Technique (SweEt) and Other Fast Sample Preparation
Methods 6 1.2.4 Turbulent Flow Chromatography 7 1.2.5 Pressurized Liquid
Extraction 7 1.2.6 Automated 96- and 384-Well Formatted Sample Preparation
as well as Automated SPE Workstations 8 1.2.7 Solid-Phase Microextraction 8
1.2.8 Microextraction by Packed Sorbent 9 1.2.9 Liquid Extraction Surface
Analysis 9 1.2.10 Headspace GC 10 1.2.11 Summary 10 1.3 Future Perspectives
10 Acknowledgment 11 References 11 CHAPTER 2 SURVEY OF MASS
SPECTROMETRY-BASED HIGH-THROUGHPUT METHODS IN FOOD ANALYSIS 15 Lukas
Vaclavik, Tomas Cajka, Wanlong Zhou, and Perry G. Wang 2.1 Introduction 15
2.2 Techniques Employing Chromatographic Separation 15 2.2.1 Gas
Chromatography-Mass Spectrometry 15 2.2.2 Liquid Chromatography-Mass
Spectrometry 21 2.3 Direct Techniques 30 2.3.1 Matrix-Assisted Laser
Desorption/Ionization-Mass Spectrometry 30 2.3.2 Headspace (Solid-Phase
Microextraction)-Mass Spectrometry E-Nose 37 2.3.3 Ambient
Desorption/Ionization-Mass Spectrometry 38 2.4 Concluding Remarks 62
Acknowledgments 62 References 63 CHAPTER 3 QUALITY SYSTEMS, QUALITY CONTROL
GUIDELINES AND STANDARDS, METHOD VALIDATION, AND ONGOING ANALYTICAL QUALITY
CONTROL 73 David Galsworthy and Stewart Reynolds 3.1 Introduction 73 3.1.1
Quality System Design 73 3.1.2 Procedures 74 3.1.3 Roles and
Responsibilities 74 3.1.4 Quality Manual 74 3.1.5 Document Control 74 3.1.6
Control of Records 75 3.1.7 Audits 75 3.1.8 Validation of Methodology 75
3.1.9 Staff Competency 75 3.1.10 Internal Quality Control 76 3.1.11 Method
Performance Criteria 76 3.2 Qualitative Screening Methods 76 3.2.1
Selectivity of Mass Spectrometry-Based Methods 78 3.2.2 Confirmatory
Methods 78 3.2.3 Validation of Qualitative Screening Multiresidue Methods
for Pesticide Residues in Foods 79 3.3 Elements of the Analytical Workflow
80 3.3.1 Sample Preparation 80 3.3.2 Effects of Sample Processing 81 3.3.3
Extraction Efficiency 81 3.4 Initial Method Validation 81 3.5 Ongoing
Analytical Quality Control 86 3.5.1 Internal Quality Control 86 3.5.2
Proficiency Testing 86 3.6 Validation of Qualitative Screening Multiresidue
Methods for Veterinary Drug Residues in Foods 87 3.6.1 EU Legislation
Covering Method Validation for Veterinary Drug Screening 87 3.6.2
Determination of Specificity/Selectivity and Detection Capability (CCß)
Using the Classical Approach 88 3.6.3 Establishment of a Cutoff Level and
Calculation of CCß 88 3.6.4 Determination of the Applicability 89 3.7
Conclusions 90 References 90 CHAPTER 4 DELIBERATE CHEMICAL CONTAMINATION
AND PROCESSING CONTAMINATION 93 Stephen Lock 4.1 Introduction 93 4.2
Heat-Induced Food Processing Contaminants 97 4.3 Packaging Migrants 101 4.4
Malicious Contamination of Food 105 References 111 CHAPTER 5 MULTIRESIDUAL
DETERMINATION OF 295 PESTICIDES AND CHEMICAL POLLUTANTS IN ANIMAL FAT BY
GEL PERMEATION CHROMATOGRAPHY (GPC) CLEANUP COUPLED WITH GC-MS/MS,
GC-NCI-MS, AND LC-MS/MS 117 Yan-Zhong Cao, Yong-Ming Liu, Na Wang, Xin-Xin
Ji, Cui-Cui Yao, Xiang Li, Li-Li Shi, Qiao-Ying Chang, Chun-Lin Fan, and
Guo-Fang Pang 5.1 Introduction 117 5.1.1 Persistent Organic Pollutants 118
5.1.2 Polycyclic Aromatic Hydrocarbons 119 5.1.3 Polychlorinated Biphenyls
119 5.1.4 Phthalate Esters 120 5.1.5 Multiclass and Multiresidue Analyses
120 5.2 Experiment 122 5.2.1 Instruments 122 5.2.2 Reagents 122 5.2.3
Preparation of Standard Solutions 122 5.2.4 Sample Preparation 123 5.2.5
Analytical Methods 124 5.2.6 Qualitative and Quantitative Determination 136
5.3 Results and Discussion 136 5.3.1 Selection of GPC Cleanup Conditions
136 5.3.2 Selection of Extraction Solvent 138 5.3.3 Comparison of Sample
Extraction Methods 150 5.3.4 Comparison of Sample Cleanup 151 5.3.5 Linear
Range, LOD, and LOQ 152 5.3.6 Recoveries and Precisions 152 5.3.7 Actual
Sample Analysis 157 5.4 Conclusions 161 References 162 CHAPTER 6
ULTRAHIGH-PERFORMANCE LIQUID CHROMATOGRAPHY COUPLED WITH HIGH-RESOLUTION
MASS SPECTROMETRY: A RELIABLE TOOL FOR ANALYSIS OF VETERINARY DRUGS IN FOOD
167 María del Mar Aguilera-Luiz, Roberto Romero-González, Patricia
Plaza-Bolaños, José Luis Martínez Vidal, and Antonia Garrido Frenich 6.1
Introduction 167 6.2 Veterinary Drug Legislation 168 6.3 Analytical
Techniques for VD Residue Analysis 172 6.3.1 Chromatographic Separation 174
6.3.2 High-Resolution Mass Spectrometers 175 6.4 Food Control Applications
181 6.4.1 Screening Applications 181 6.4.2 Confirmation and Quantification
Methods 191 6.4.3 Comparison Studies 195 6.5 Conclusions and Future Trends
201 Acknowledgments 202 References 203 CHAPTER 7 A ROLE FOR HIGH-RESOLUTION
MASS SPECTROMETRY IN THE HIGH-THROUGHPUT ANALYSIS AND IDENTIFICATION OF
VETERINARY MEDICINAL PRODUCT RESIDUES AND OF THEIR METABOLITES IN FOODS OF
ANIMAL ORIGIN 213 Eric Verdon, Dominique Hurtaud-Pessel, and
Jagadeshwar-Reddy Thota 7.1 Introduction 213 7.2 Issues Associated with
Veterinary Drug Residues and European Regulations 215 7.3 Choosing a
Strategy: Targeted or Nontargeted Analysis? 216 7.3.1 Targeted Analysis
Using HRMS 218 7.3.2 Nontargeted Analysis Using HRMS: Screening for Unknown
Compounds 219 7.4 Application Number 1: Identification of Brilliant Green
and its Metabolites in Fish under High-Resolution Mass Spectral Conditions
(Targeted and Nontargeted Approaches) 220 7.5 Application Number 2:
Targeted and Nontargeted Screening Approaches for the Identification of
Antimicrobial Residues in Meat 223 7.6 Conclusions 227 References 227
CHAPTER 8 HIGH-THROUGHPUT ANALYSIS OF MYCOTOXINS 231 Marta Vaclavikova,
Lukas Vaclavik, and Tomas Cajka 8.1 Introduction 231 8.1.1 Legislation and
Regulatory Limits 231 8.1.2 Emerging Mycotoxins 237 8.1.3 Analysis of
Mycotoxins in the High-Throughput Environment 238 8.2 Sample Preparation
239 8.2.1 Sampling 240 8.2.2 Matrices of Interest 240 8.2.3 Extraction of
Mycotoxins 241 8.2.4 Purification of Sample Extracts 246 8.3 Separation and
Detection of Mycotoxins 247 8.3.1 Liquid Chromatography-Mass
Spectrometry-Based Methods 248 8.3.2 High-Resolution Mass Spectrometry in
Mycotoxins Analysis 250 8.4 No-Separation Mass Spectrometry-Based Methods
252 8.4.1 Matrix-Assisted Laser Desorption Ionization-Mass Spectrometry 252
8.4.2 Ambient Ionization Mass Spectrometry 253 8.4.3 Ion Mobility
Spectrometry 254 8.4.4 Immunochemical Methods 256 8.5 Conclusions 259
Acknowledgments 259 References 259 INDEX 267
ASSAYS TO BE COVERED, SAMPLE HANDLING, AND SAMPLE PROCESSING 1 Wanlong
Zhou, Eugene Y. Chang, and Perry G. Wang 1.1 Introduction 1 1.1.1 Current
Situation and Challenges of Food Safety and Regulations 1 1.1.2 Residues
and Matrices of Food Analysis and High-Throughput Analysis 2 1.1.3 Food
Safety Classifications 3 1.1.4 "High Throughput" Definition 3 1.1.5 Scope
of the Book 4 1.2 Advanced Sample Preparation Techniques 5 1.2.1 Automation
of Weighing and Preparing Standard Solutions 5 1.2.2 QuEChERS 6 1.2.3
Swedish Extraction Technique (SweEt) and Other Fast Sample Preparation
Methods 6 1.2.4 Turbulent Flow Chromatography 7 1.2.5 Pressurized Liquid
Extraction 7 1.2.6 Automated 96- and 384-Well Formatted Sample Preparation
as well as Automated SPE Workstations 8 1.2.7 Solid-Phase Microextraction 8
1.2.8 Microextraction by Packed Sorbent 9 1.2.9 Liquid Extraction Surface
Analysis 9 1.2.10 Headspace GC 10 1.2.11 Summary 10 1.3 Future Perspectives
10 Acknowledgment 11 References 11 CHAPTER 2 SURVEY OF MASS
SPECTROMETRY-BASED HIGH-THROUGHPUT METHODS IN FOOD ANALYSIS 15 Lukas
Vaclavik, Tomas Cajka, Wanlong Zhou, and Perry G. Wang 2.1 Introduction 15
2.2 Techniques Employing Chromatographic Separation 15 2.2.1 Gas
Chromatography-Mass Spectrometry 15 2.2.2 Liquid Chromatography-Mass
Spectrometry 21 2.3 Direct Techniques 30 2.3.1 Matrix-Assisted Laser
Desorption/Ionization-Mass Spectrometry 30 2.3.2 Headspace (Solid-Phase
Microextraction)-Mass Spectrometry E-Nose 37 2.3.3 Ambient
Desorption/Ionization-Mass Spectrometry 38 2.4 Concluding Remarks 62
Acknowledgments 62 References 63 CHAPTER 3 QUALITY SYSTEMS, QUALITY CONTROL
GUIDELINES AND STANDARDS, METHOD VALIDATION, AND ONGOING ANALYTICAL QUALITY
CONTROL 73 David Galsworthy and Stewart Reynolds 3.1 Introduction 73 3.1.1
Quality System Design 73 3.1.2 Procedures 74 3.1.3 Roles and
Responsibilities 74 3.1.4 Quality Manual 74 3.1.5 Document Control 74 3.1.6
Control of Records 75 3.1.7 Audits 75 3.1.8 Validation of Methodology 75
3.1.9 Staff Competency 75 3.1.10 Internal Quality Control 76 3.1.11 Method
Performance Criteria 76 3.2 Qualitative Screening Methods 76 3.2.1
Selectivity of Mass Spectrometry-Based Methods 78 3.2.2 Confirmatory
Methods 78 3.2.3 Validation of Qualitative Screening Multiresidue Methods
for Pesticide Residues in Foods 79 3.3 Elements of the Analytical Workflow
80 3.3.1 Sample Preparation 80 3.3.2 Effects of Sample Processing 81 3.3.3
Extraction Efficiency 81 3.4 Initial Method Validation 81 3.5 Ongoing
Analytical Quality Control 86 3.5.1 Internal Quality Control 86 3.5.2
Proficiency Testing 86 3.6 Validation of Qualitative Screening Multiresidue
Methods for Veterinary Drug Residues in Foods 87 3.6.1 EU Legislation
Covering Method Validation for Veterinary Drug Screening 87 3.6.2
Determination of Specificity/Selectivity and Detection Capability (CCß)
Using the Classical Approach 88 3.6.3 Establishment of a Cutoff Level and
Calculation of CCß 88 3.6.4 Determination of the Applicability 89 3.7
Conclusions 90 References 90 CHAPTER 4 DELIBERATE CHEMICAL CONTAMINATION
AND PROCESSING CONTAMINATION 93 Stephen Lock 4.1 Introduction 93 4.2
Heat-Induced Food Processing Contaminants 97 4.3 Packaging Migrants 101 4.4
Malicious Contamination of Food 105 References 111 CHAPTER 5 MULTIRESIDUAL
DETERMINATION OF 295 PESTICIDES AND CHEMICAL POLLUTANTS IN ANIMAL FAT BY
GEL PERMEATION CHROMATOGRAPHY (GPC) CLEANUP COUPLED WITH GC-MS/MS,
GC-NCI-MS, AND LC-MS/MS 117 Yan-Zhong Cao, Yong-Ming Liu, Na Wang, Xin-Xin
Ji, Cui-Cui Yao, Xiang Li, Li-Li Shi, Qiao-Ying Chang, Chun-Lin Fan, and
Guo-Fang Pang 5.1 Introduction 117 5.1.1 Persistent Organic Pollutants 118
5.1.2 Polycyclic Aromatic Hydrocarbons 119 5.1.3 Polychlorinated Biphenyls
119 5.1.4 Phthalate Esters 120 5.1.5 Multiclass and Multiresidue Analyses
120 5.2 Experiment 122 5.2.1 Instruments 122 5.2.2 Reagents 122 5.2.3
Preparation of Standard Solutions 122 5.2.4 Sample Preparation 123 5.2.5
Analytical Methods 124 5.2.6 Qualitative and Quantitative Determination 136
5.3 Results and Discussion 136 5.3.1 Selection of GPC Cleanup Conditions
136 5.3.2 Selection of Extraction Solvent 138 5.3.3 Comparison of Sample
Extraction Methods 150 5.3.4 Comparison of Sample Cleanup 151 5.3.5 Linear
Range, LOD, and LOQ 152 5.3.6 Recoveries and Precisions 152 5.3.7 Actual
Sample Analysis 157 5.4 Conclusions 161 References 162 CHAPTER 6
ULTRAHIGH-PERFORMANCE LIQUID CHROMATOGRAPHY COUPLED WITH HIGH-RESOLUTION
MASS SPECTROMETRY: A RELIABLE TOOL FOR ANALYSIS OF VETERINARY DRUGS IN FOOD
167 María del Mar Aguilera-Luiz, Roberto Romero-González, Patricia
Plaza-Bolaños, José Luis Martínez Vidal, and Antonia Garrido Frenich 6.1
Introduction 167 6.2 Veterinary Drug Legislation 168 6.3 Analytical
Techniques for VD Residue Analysis 172 6.3.1 Chromatographic Separation 174
6.3.2 High-Resolution Mass Spectrometers 175 6.4 Food Control Applications
181 6.4.1 Screening Applications 181 6.4.2 Confirmation and Quantification
Methods 191 6.4.3 Comparison Studies 195 6.5 Conclusions and Future Trends
201 Acknowledgments 202 References 203 CHAPTER 7 A ROLE FOR HIGH-RESOLUTION
MASS SPECTROMETRY IN THE HIGH-THROUGHPUT ANALYSIS AND IDENTIFICATION OF
VETERINARY MEDICINAL PRODUCT RESIDUES AND OF THEIR METABOLITES IN FOODS OF
ANIMAL ORIGIN 213 Eric Verdon, Dominique Hurtaud-Pessel, and
Jagadeshwar-Reddy Thota 7.1 Introduction 213 7.2 Issues Associated with
Veterinary Drug Residues and European Regulations 215 7.3 Choosing a
Strategy: Targeted or Nontargeted Analysis? 216 7.3.1 Targeted Analysis
Using HRMS 218 7.3.2 Nontargeted Analysis Using HRMS: Screening for Unknown
Compounds 219 7.4 Application Number 1: Identification of Brilliant Green
and its Metabolites in Fish under High-Resolution Mass Spectral Conditions
(Targeted and Nontargeted Approaches) 220 7.5 Application Number 2:
Targeted and Nontargeted Screening Approaches for the Identification of
Antimicrobial Residues in Meat 223 7.6 Conclusions 227 References 227
CHAPTER 8 HIGH-THROUGHPUT ANALYSIS OF MYCOTOXINS 231 Marta Vaclavikova,
Lukas Vaclavik, and Tomas Cajka 8.1 Introduction 231 8.1.1 Legislation and
Regulatory Limits 231 8.1.2 Emerging Mycotoxins 237 8.1.3 Analysis of
Mycotoxins in the High-Throughput Environment 238 8.2 Sample Preparation
239 8.2.1 Sampling 240 8.2.2 Matrices of Interest 240 8.2.3 Extraction of
Mycotoxins 241 8.2.4 Purification of Sample Extracts 246 8.3 Separation and
Detection of Mycotoxins 247 8.3.1 Liquid Chromatography-Mass
Spectrometry-Based Methods 248 8.3.2 High-Resolution Mass Spectrometry in
Mycotoxins Analysis 250 8.4 No-Separation Mass Spectrometry-Based Methods
252 8.4.1 Matrix-Assisted Laser Desorption Ionization-Mass Spectrometry 252
8.4.2 Ambient Ionization Mass Spectrometry 253 8.4.3 Ion Mobility
Spectrometry 254 8.4.4 Immunochemical Methods 256 8.5 Conclusions 259
Acknowledgments 259 References 259 INDEX 267