Forensic Chemistry

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