Forensic Chemistry (Third Edition)

Forensic Chemistry, Third Edition introduces students to the principal areas of the field from the perspective of analytical chemistry. The book provides a working foundational knowledge base for basic chemistry, introducing chemical concepts and practices from a forensic perspective (including chemistry of drugs, toxicology, combustion, chromatography, mass spectrometry, statistics, estimation of uncertainty, quality assurance/quality control, and protocols used in working forensic laboratories). The book distinguishes forensic chemistry from other types of analytical chemistry by the legal context in which the work is done, the types of samples and matrices, the variety of sample types encountered, and the extensive use of instrumentation. Current case studies illustrate the concepts and practices described. Online resources used in the field are integrated into the chapters. Example problems and detailed solutions reinforce concepts and show how they are applied in forensic laboratories. Dr. Suzanne Bellobtained a BS (Chemistry and Criminal Justice majors) from Northern Arizona University and an MS in Forensic Science from the University of New Haven. She joined the New Mexico State Police in 1983 and worked as a forensic chemist and crime scene processor. She worked at Los Alamos National Laboratory starting in 1985 as a technical staff member. During this time, she obtained a PhD from New Mexico State University. She started her career in academia in 1994, first at Eastern Washington University where she taught undergraduate chemistry courses and assisted the university and the Washington State Patrol in developing a forensic chemistry major. In 2003, she joined the Chemistry Department at West Virginia University. Currently she mentors chemistry and forensic chemistry students from the BS to post-doctoral level.... Cover Half Title Title Page Copyright Page Dedication Table of Contents Notes to Readers and Instructors Acknowledgments SECTION 1 Metrology and Measurement 1 Making Good Measurements Chapter Overview 1.1 Good Measurements and Good Numbers 1.2 Significant Figures, Rounding, and Uncertainty 1.3 Fundamentals of Statistics 1.4 Accuracy, Precision, and Beyond 1.4.1 Types of Analytical Errors 1.5 Hypothesis Testing 1.5.1 Overview 1.5.2 Outliers and Other Statistical Significance Tests Chapter Summary Key Terms and Concepts Questions and Exercises Further Reading Selected Open Source Resources and Articles References 2 Assuring Good Measurements Chapter Overview 2.1 Quality Assurance and Quality Control 2.1.1 Who Makes the Rules? International Organizations, Accreditation, and Certification 2.1.2 Traceability 2.1.3 Calibration and Control Charts 2.1.3.1 Calibration 2.1.3.2 Control Charts 2.1.3.3 Concentration and Response 2.2 Method Validation 2.2.1 Figures of Merit 2.2.2 Figures of Merit for Qualitative Methods 2.3 Sampling 2.3.1 Overview 2.3.2 Hypergeometric Sampling 2.4 Measurement Uncertainty (MU) 2.4.1 Overview 2.4.2 Identifying Contributing Factors 2.4.3 Uncertainty Budgets 2.4.4 Complex Procedures and Measurement Assurance Samples 2.5 Integration Chapter Summary Section Summary Key Terms and Concepts Questions and Exercises Further Reading Selected Open Source Articles and Resources: Articles References SECTION 2 Chemical Foundations 3 Chemical Fundamentals: Partitioning, Equilibria, and Acid-Base Chemistry Chapter Overview 3.1 General Considerations 3.2 An Introductory Example 3.3 The Special K’s 3.3.1 Equilibrium Constants 3.3.2 Solubility Equilibrium Constant K[sub(sp)] 3.3.3 Octanol-Water Partition Coefficient K[sub(ow)] (logP) 3.3.4 Partition Coefficients 3.3.5 K[sub(a)]/K[sub(b)] 3.4 Partitioning 3.4.1 Solvent and Liquid-Liquid Extractions 3.4.2 Water Solubility and Partitioning 3.4.3 Ionization Centers (Ionizable Centers) 3.4.4 Ionizable Centers, Drug Salts, and Solubility 3.4.5 Degrees of Ionization 3.4.6 Integrating Ionizable Centers and Solubility 3.4.7 Summary A/B, Ionizable Centers, and Solubility 3.5 Partitioning with a Solid Phase 3.5.1 Overview 3.5.2 Solid Phase Partitioning 3.5.3 Partition and Extractions 3.6 Partitioning with a Moving Phase Chapter Summary Key Terms and Concepts Questions and Exercises Further Reading Selected Open Source Resources and Articles References 4 Chromatography and Mass Spectrometry Chapter Overview 4.1 Overview of Chromatography 4.2 Gas Chromatography 4.2.1 Overview 4.2.2 Instrumental Systems 4.2.3 Efficiency Measures 4.2.4 Theory 4.2.5 Retention Index 4.2.6 GC Columns 4.2.7 Gas Chromatography Detectors 4.3 Liquid Chromatography 4.3.1 HPLC and UPLC 4.3.2 Liquid Chromatography Detectors 4.4 Mass Spectrometry 4.4.1 Overview 4.4.2 GC-MS and Quadrupole Mass Filters 4.4.3 ICP-MS 4.4.4 Ambient Pressure Ionization Sources 4.4.5 Tandem Mass Spectrometry 4.4.6 High-Resolution Mass Spectrometry (HRMS) 4.4.7 DART-MS 4.4.8 Isotope Ratio Mass Spectrometry (IRMS 4.5 Electrophoresis Chapter Summary Key Terms and Concepts Questions and Exercises Further Reading Selected Open Source Articles and Resources References 5 Spectroscopy Chapter Overview 5.1 Electromagnetic Energy 5.2 Spectroscopy 5.2.1 The Basics 5.2.2 Instrument Components 5.2.3 Detectors 5.2.4 Instrument Designs 5.2.5 Bandwidth and Resolving Power 5.3 Types of Spectroscopy 5.3.1 UV/VIS Spectroscopy 5.3.2 Infrared Spectroscopy 5.3.3 Raman Spectroscopy 5.3.4 NMR Spectroscopy 5.3.5 X-Ray Spectroscopy and Scanning Electron Microscopy Chapter Summary Section Summary Key Terms and Concepts Questions and Exercises Further Reading Selected Open Source Resources and Articles References SECTION 3 Drugs and Poisons 6 Overview of Drug Analysis Chapter Overview 6.1 Classification 6.2 Legislation and Regulation 6.3 Data Sources 6.4 Drugs as Physical Evidence 6.4.1 Five P’s 6.4.2 Adulterants, Cutting Agents, and Impurities 6.4.3 Clandestine Synthesis 6.4.4 Profiling 6.5 Overview of Chemical Analysis of Illicit Drugs 6.5.1 What Is Definitive Identification? 6.5.2 Chemistry of Color Tests 6.6 Current Issues: Marijuana Chapter Summary Key Terms and Concepts Questions and Exercises Further Reading Selected Open Source Articles and Resources: Articles References 7 Novel Psychoactive Substances Chapter Overview 7.1 History 7.2 Legislation, Regulation, and Chemical Similarity 7.3 Categories of NPSs 7.3.1 Cannabinoids 7.3.2 Stimulants and Hallucinogens 7.3.3 Opioids 7.4 Laboratory Approach for NPSs 7.4.1 Analytical Schemes 7.4.2 Non-target Analysis 7.5 Case Examples Summary Key Terms and Concepts Review Questions and Exercises Selected Open Source Articles and Resources: References 8 Fundamentals of Toxicology Chapter Overview 8.1 Pharmacokinetics 8.1.1 Ingestion 8.1.2 Absorption 8.1.2.1 Oral Ingestion 8.1.2.2 Bioavailability 8.1.3 Distribution 8.1.4 Metabolism and Elimination: Kinetics 8.1.5 Summary of ADME with Calculations and Applications 8.1.6 Metabolism: Biochemical Aspects 8.1.7 Tracking a Dose 8.1.8 Endogenous vs Exogenous Substances 8.2 Dosage Considerations and Lethal Concentrations 8.3 Mechanism of Action Chapter Summary Key Terms and Concepts Questions and Exercises Further Reading Selected Open Source Articles and Resources References 9 Applications of Forensic Toxicology Chapter Overview 9.1 Types of Forensic Toxicology 9.2 Sample Types 9.2.1 Blood and Plasma 9.2.2 Urine 9.2.3 Vitreous Fluid 9.2.4 Tissues and Other Samples 9.2.5 Hair 9.2.6 Oral Fluid 9.2.7 Ion Trapping and Relative Concentrations 9.3 Analytical Methods 9.3.1 Immunoassay 9.3.2 MS methods 9.4 Forensic Toxicology in Practice 9.4.1 Ethanol 9.4.1.1 Alcohol Metabolism 9.4.1.2 Absorption, Distribution, and Elimination 9.4.1.3 Breath Alcohol 9.4.1.4 BAC Laboratory Analysis 9.4.2 Postmortem Toxicology 9.4.2.1 Postmortem Redistribution 9.4.2.2 Tracking Doses across Tissues and Fluids 9.5 Integrated Examples and Cases 9.5.1 Heroin 9.5.2 Bupropion 9.5.3 NPS Mixed Drug Fatality Chapter and Section Summary Key Terms and Concepts Questions and Exercises Further Reading Selected Open Source Articles and Resources References SECTION 4 Combustion Evidence 10 Overview of Combustion Chemistry Chapter Overview 10.1 Combustion Basics 10.1.1 Overview 10.1.2 Reaction Mechanisms and Kinetics 10.1.3 Types of Combustion 10.1.3.1 Smoldering 10.1.3.2 Flames and Ignition 10.2 Thermodynamics of Combustion Reactions 10.2.1 General Considerations 10.2.2 Stoichiometry 10.2.3 Mass and Heat Transfer 10.3 Propagation 10.3.1 Deflagration to Detonation 10.4 Fire Behavior 10.4.1 Propagation over Liquids 10.4.2 Walls and Inclined Surfaces 10.4.3 Ceiling Jets and Flashover Chapter Summary Key Terms and Concepts Review Questions and Exercises Further Reading Selected Open Source Resources and Articles References 11 Fire Investigation and Fire Debris Analysis Chapter Overview 11.1 Fire Investigation 11.2 Fire Debris Analysis 11.2.1 Preconcentration Methods 11.2.2 Data Analysis and Interpretation 11.2.2.1 Chemical Pattern Evidence 11.2.2.2 Detection Limits 11.2.2.3 Matrix and Substrates 11.2.2.4 Weathering and Environmental Degradation 11.3 Forensic Investigation of Fire Deaths 11.3.1 Mechanism of Toxicity 11.3.2 Analytical Methods 11.3.3 Integration with Autopsy Chapter Summary Key Terms and Concepts Review Questions and Exercises Further Reading Selected Open Source Articles and Resources References 12 Explosives Chapter Overview 12.1 Explosions and Explosive Power 12.1.1 Types of Power 12.1.2 Classification Schemes 12.2 Chemical and Thermodynamic Considerations 12.2.1 Balancing Equations 12.2.2 Oxygen Balance 12.2.3 Explosive Power and Thermodynamic Calculations 12.2.4 Balancing Summary 12.3 Explosive Devices 12.3.1 Pipe Bombs 12.3.2 Other Types of IEDs and Explosives 12.4 Forensic Analysis of Explosives 12.4.1 Stand-off Detection 12.4.1.1 Vapor Phase Detection 12.4.1.2 Spectroscopy 12.4.2 Laboratory Analysis of Explosives 12.4.2.1 Overview 12.4.2.2 Ion Chromatography 12.4.2.3 Mass Spectrometry 12.5 Integrated Example Chapter Summary Key Terms and Concepts Questions and Exercises Further Reading References 13 Firearms and Firearms Discharge Residue Chapter Overview 13.1 How Guns Work 13.2 Primers and Propellants 13.3 Forensic Analysis of FDR and GSR 13.3.1 Color Tests and Distance Estimations 13.3.2 GSR 13.3.3 Organic Gunshot Residue 13.3.4 Time Since Discharge 13.3.5 Implications 13.4 Serial Number Restoration Chapter Summary Section Summary Key Terms and Concepts Questions and Exercises Further Reading Selected Open Source Resources and Articles References 14 Forensic Chemistry and Trace Evidence Analysis Chapter Overview 14.1 Trace Evidence Overview 14.1.1 Chemical Pattern Evidence Revisited 14.1.2 Example Scenario 14.2 Successive Classification 14.3 Characterizing Color 14.3.1 Making Color Quantitative 14.3.2 CIE System 14.3.3 Munsell System 14.3.4 Other Systems and Conversions 14.3.5 Colorants 14.4 Example Types of Trace Evidence 14.4.1 Fibers 14.4.2 Paint 14.4.3 Glass Chapter Summary Key Terms and Concepts Questions and Exercises Further Reading Selected Open Source Resources and Articles References Appendix 1: Glossary of Terms Appendix 2: Abbreviations Appendix 3: Tables for Statistical Testing Appendix 4: Selected Thermodynamic Quantities Appendix 5: Selected and Characteristic Infrared Group Frequencies Appendix 6: Selected 1H NMR Chemical Shifts Appendix 7: Periodic Table of the Elements Index "Forensic Chemistry, Third Edition introduces students to the principal areas of the field from the perspective of analytical chemistry. The book provides a working foundational knowledge base for basic chemistry, introducing chemical concepts and practices from a forensic perspective (including multivariate statistics, quality assurance/quality control, and protocols used in working forensic laboratories). The book distinguishes forensic chemistry from other types of analytical chemistry by the legal context in which the work is done, the types of samples and matrices, the variety of sample types encountered, and the extensive use of instrumentation. Topics covered in the various chapters offer students insight into the legal context in which forensic chemistry is conducted, introducing students to the variety of types of samples and matrices, and extensive use of instrumentation they will likely encounter in the lab and future professions"-- Provided by publisher