Portable Spectroscopy and Spectrometry, Technologies and Instrumentation

List of Contributors xiii Foreword xvii Preface for Volume 1 xix Acknowledgements xxi 1 Introduction to Portable Spectroscopy 1 Pauline E. Leary, Richard A. Crocombe and Brooke W. Kammrath 1.1 Introduction 1 1.2 Defining Portable Spectrometers 1 1.3 Performance 2 1.4 History and Availability 4 1.5 Instrument Design and Enabling Technologies 7 1.6 Producing Results 8 1.7 Outline of These Volumes 9 Acronyms and Abbreviations 11 References 12 2 Engineering Portable Instruments 15 Terry Sauer 2.1 Size/Weight 15 2.2 Sample Interface 16 2.3 Embedded Computer vs. External Personal Computer (PC) 16 2.4 Reduced Feature Set 17 2.5 Target of Non-Spectroscopist 17 2.6 Power Budget 18 2.7 Voltage Conversion 18 2.8 Decon/Ingress Protection (IP) Rating 19 2.9 Testing the Seal 20 2.10 Gloved Operation 20 2.11 Display 21 2.12 Thermal Concerns 23 2.13 Optical Elements 27 2.14 Interferometer Optical Design 27 2.15 Interferometer Bearings 29 2.16 Vibration 30 2.17 Shock 30 2.18 Battery 31 2.19 Electrostatic Discharge (ESD) 32 2.20 Ergonomics 34 2.21 Laser Safety 34 2.22 Stability 35 2.23 Service 38 2.24 Communications/Wireless 38 References 38 3 Design Considerations for Portable Mid-Infrared FTIR Spectrometers Used for In-Field Identifications of Threat Materials 41 David W. Schiering and John T. Stein 3.1 Introduction and Background 41 3.2 FTIR System Components 44 3.3 FTIR Spectrometer Performance Attributes 53 3.4 Modeling and Simulation Guide to Portable Instrument Design and Development 55 3.5 Portable FTIR Performance Benchmarks 60 3.6 Conclusion 62 Abbreviations and Acronyms 62 References 63 4 PAT Applications of NIR Spectroscopy in the Pharmaceutical Industry 67 Pierre-Yves Sacré, Charlotte De Bleye, Philippe Hubert and Eric Ziemons 4.1 Introduction 67 4.2 Continuous Manufacturing and Real-Time Release Testing 67 4.3 PAT Implementation of Near-Infrared Spectroscopy 73 4.4 Conclusion 79 Glossary 81 References 82 5 MOEMS and MEMS - Technology, Benefits & Uses 89 Heinrich Grüger 5.1 Introduction 89 5.2 Grating-Based Spectrometers 92 5.3 Fourier Transform Spectrometer 101 5.4 Tunable Fabry-Perot Interferometer 104 5.5 Integration Strategies for MEMS-/MOEMS-Based Spectrometers 106 5.6 Use of MEMS-Based NIR Spectrometers 108 Acronyms and Abbreviations 109 References 110 6 Portable Raman Spectroscopy: Instrumentation and Technology 115 Cicely Rathmell, Dieter Bingemann, Mark Zieg and David Creasey 6.1 Introduction 115 6.2 The Case for Raman: Capabilities and Scope 115 6.3 The Theory of Raman Spectra 116 6.4 Basics of a Raman System 119 6.5 "Portable" Versus "Handheld" Versus "Mini" 119 6.6 Performance Needs in Portable Raman Instruments 120 6.7 Excitation Laser 122 6.8 Optical Filters and Sampling Optics 125 6.9 Spectrometer Design 127 6.10 Sample Interface and Accessories 134 6.11 Spectral Processing and Analysis 135 6.12 Special Cases 138 6.13 Conclusion 140 Acronyms and Abbreviations 141 References 141 7 Optical Filters - Technology and Applications 147 Oliver Pust 7.1 Overview on the Use of Optical Filters in Spectroscopy 147 7.2 Optical Filters as Auxiliary Filters 154 7.3 Optical Filters as Complementary Filters 159 7.4 Optical Filters asWavelength Selective Element 161 7.5 Conclusion and Outlook 175 References 176 8 Portable UV-Visible Spectroscopy - Instrumentation, Technology, and Applications 179 Anshuman Das 8.1 Introduction 179 8.2 Typical Instrumentation of a Portable UV-Vis Spectrometer 180 8.3 Measurement Configurations 183 8.4 Types of Instrumentation Used in UV-Vis Spectroscopy 187 8.5 Applications 193 8.6 Challenges for Portable Spectrometers 202 8.7 Outlook 204 References 204 9 Smartphone Technology - Instrumentation and Applications 209 Alexander Scheeline 9.1 Introduction and Context 209 9.2 Challenges of Smartphone Spectrometry 210 9.3 Progress to Date 213 9.4 Conclusion and Prospective 230 References 230 10 Portable Standoff Optical Spectroscopy for Safety and Security 237 Matthew P. Nelson and Nathaniel R. Gomer 10.1 Introduction 237 10.2 Portable Standoff Optical Instrument Types 240 10.3 Portable Standoff Optical Instrument Technologies 242 10.4 Portable Standoff Optical Spectroscopy Sensor Selection 248 10.5 Portable Standoff Optical Spectroscopy Sensors and Applications 253 10.6 Conclusions and Future Direction 269 Acronyms and Abbreviations 269 References 270 11 Microplasmas for Portable Optical Emission Spectrometry 275 Vassili Karanassios 11.1 Introduction 275 11.2 A Brief Review of the Portable Microplasma Literature 276 11.3 Conclusion 284 Acronyms 284 Abbreviations 284 Acknowledgments 285 References 285 12 Portable Electro-Optical-Infrared Spectroscopic Sensors for Standoff Detection of Chemical Leaks and Threats 289 Hugo Lavoie, Jean-Marc Thériault, Eldon Puckrin, Richard L. Lachance, Alexandre Thibeault, Yotam Ariel and Jean Albert 12.1 Introduction 289 12.2 A Differential FTIR Approach for Standoff Gas Detection 289 12.3 iCATSI Sensor 297 12.4 Active FTIR for Ground Contamination Detection 299 12.5 Signature Collection: Broadband Portable Field Spectral Reflectometer 303 12.6 Imaging Gas Filter Correlation Radiometry 308 12.7 Conclusion 317 References 317 13 Handheld Laser Induced Breakdown Spectroscopy (HHLIBS) 321 David Day 13.1 Introduction 321 13.2 Handheld LIBS-Enabling Technologies 323 13.3 Commercial HHLIBS Specifications 337 13.4 HHLIBS Applications 337 13.5 Summary and Future Expectations 341 References 341 14 Miniaturized Mass Spectrometry - Instrumentation, Technology, and Applications 345 Dalton T. Snyder 14.1 Introduction 345 14.2 Instrumentation 346 14.3 Applications 358 14.4 Summary and Outlook 364 Acronyms 364 Further Reading 365 15 Portable Gas Chromatography-Mass Spectrometry: Instrumentation and Applications 367 Pauline E. Leary, Brooke W. Kammrath and John A. Reffner 15.1 Introduction 367 15.2 History of Portable GC-MS 368 15.3 Critical Components for Portability 370 15.4 Applications 379 15.5 The Future of Portable GC-MS 384 Acknowledgments 385 References 385 16 Development of High-Pressure Mass Spectrometry for Handheld and Benchtop Analyzers 391 Kenion H. Blakeman and Scott E. Miller 16.1 Introduction 391 16.2 Ion Trap Development for HPMS 392 16.3 Commercialization and Applications 401 16.4 Conclusions 408 References 408 17 Key Instrumentation Developments That Have Led to Portable Ion Mobility Spectrometer Systems 415 Reno F. DeBono and Pauline E. Leary 17.1 Background and History 415 17.2 Principles of Ion Mobility Spectrometry 417 17.3 Current Innovations and Future Directions 439 17.4 Conclusions 441 Acronyms 442 Abbreviations and Symbols 443 References 444 18 X-Ray Sources for Handheld X-Ray Fluorescence Instruments 449 Sterling Cornaby 18.1 Background 449 18.2 The Miniature X-Ray Source 450 18.3 The Selection of a Target Anode Material for XRF 455 18.4 Functionality of X-Ray Sources for HHXRF 461 18.5 Conclusion 472 References 473 19 Semiconductor Detectors for Portable Energy-Dispersive XRF Spectrometry 475 Andrei Stratilatov 19.1 Introduction 475 19.2 Semiconductor Detector Fundamentals: Signal Formation 476 19.3 Detectors for Portable Spectrometers: Design and Performance 486 19.4 Silicon Drift Detectors 489 19.5 Si Detectors' Quantum Efficiency: X-Ray EntranceWindows 491 19.6 Conclusion 498 Acronyms and Abbreviations 499 References 499 20 Field-Deployable Utility of Benchtop Nuclear Magnetic Resonance Spectrometers 501 Koby L. Kizzire and Griffin Cassata 20.1 Introduction 501 20.2 NMR Theory 503 20.3 Magnet Miniaturization 505 20.4 Improvements in Sensitivity and Resolution 506 20.5 Current bNMR Spectrometers 507 20.6 Applications 509 20.7 Conclusion 510 References 511 21 Rapid DNA Analysis - Need, Technology, and Applications 515 Claire L. Glynn and Angie Ambers 21.1 Need for Speed 515 21.2 Technology 518 21.3 Applications 529 21.4 Limitations and Important Considerations 538 21.5 Future Considerations and Conclusions 539 A Appendix 540 A.1 Acronyms 540 References 541 22 Portable Biological Spectroscopy: Field Applications 545 Brian Damit and Miquel Antoine 22.1 Introduction 545 22.2 Organization of This Chapter 547 22.3 Attributes of Field-Portable Spectroscopy Systems 547 22.4 Field Applications 548 22.5 Summary, Challenges, and Outlook 558 Acknowledgements 558 List of Acronyms 559 References 559 Index 565