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Portable Spectroscopy and Spectrometry, Volume 2
Applications
Richard A. Crocombe (Edited by), RA Crocombe (Author), Pauline E. Leary (Edited by), Brooke W. Kammrath (Edited by)
9781119636403, Wiley
Hardback, published 6 May 2021
608 pages
25.6 x 21.1 x 3.3 cm, 1.542 kg
The most comprehensive resource available on the many applications of portable spectrometers, including material not found in any other published work Portable Spectroscopy and Spectrometry: Volume Two is an authoritative and up-to-date compendium of the diverse applications for portable spectrometers across numerous disciplines. Whereas Volume One focuses on the specific technologies of the portable spectrometers themselves, Volume Two explores the use of portable instruments in wide range of fields, including pharmaceutical development, clinical research, food analysis, forensic science, geology, astrobiology, cultural heritage and archaeology. Volume Two features contributions by a multidisciplinary team of experts with hands-on experience using portable instruments in their respective areas of expertise. Organized both by instrumentation type and by scientific or technical discipline, 21 detailed chapters cover various applications of portable ion mobility spectrometry (IMS), infrared and near-infrared (NIR) spectroscopy, Raman and x-ray fluorescence (XRF) spectroscopy, smartphone spectroscopy, and many others. Filling a significant gap in literature on the subject, the second volume of Portable Spectroscopy and Spectrometry: Portable Spectroscopy and Spectrometry: Volume Two is an indispensable resource for developers of portable instruments in universities, research institutes, instrument companies, civilian and government purchasers, trainers, operators of portable instruments, and educators and students in portable spectroscopy courses.
List of Contributors xv Foreword xix Preface for Volume 2 xxi Acknowledgements xxiii 1 The Role of Applications in Portable Spectroscopy 1 1.1 Introduction 1 1.2 The Evolution of Applications 1 1.3 What Defines an Application? 5 1.4 The Return on Investment for an Application 11 1.5 Preparing Samples in the Field 12 1.6 The Commercial Success of a Portable Spectrometer 15 1.7 Conclusions and Future Applications 16 References 17 2 Identification and Confirmation Algorithms for Handheld Analyzers 19 2.1 Introduction 19 2.2 Data Collection 22 2.3 Data Conditioning 26 2.4 Types of Algorithms 26 2.5 Display of Algorithm Results 34 2.6 Computational Considerations 37 2.7 Performance Characterization 39 2.8 Conclusion 40 References 40 3 Library and Method Development for Portable Instrumentation 43 3.1 Introduction 43 3.2 Instrument Use Overview 44 3.3 Library Development 45 3.4 Qualitative Model Development 48 3.5 Library Build 48 3.6 Case Study: Building a Polymorph Library 50 3.7 Case Study: Counterions and Effect on Selectivity 51 3.8 Case Study: Effect of Moisture on Peaks of Ammonium Nitrate 53 3.9 Case Study: Selectivity in an Explosive Sublibrary 54 3.10 Quantitative Method Development 55 3.11 Building Meaningful Predictive Models 58 3.12 Case Study: Prediction of Protein Levels in Flour Samples 58 3.13 Summary 61 References 62 4 Applications of Portable Optical Spectrometers in the Chemical Industry 65 4.1 Introduction 65 4.2 Review of Industrial Applications 67 4.3 In-Depth Examples 71 4.4 Conclusions and Prospects 80 References 82 5 The Value of Portable Spectrometers for the Analysis of Counterfeit Pharmaceuticals 85 5.1 Introduction 85 5.2 Field Analytical Spectroscopy Methods 93 5.3 Deployed Systems 112 5.4 The Future 116 Acknowledgments 117 References 118 6 Forensic Applications of Portable Spectrometers 125 6.1 Breath Alcohol Testing 127 6.2 White-Powder Attacks 131 6.3 Illicit Drugs 134 6.4 Counterfeit Drugs 137 6.5 Explosives 138 6.6 Clandestine Labs 139 6.7 Ignitable Liquids 139 6.8 Future 140 6.9 Conclusions 142 Acknowledgments 143 References 144 7 Military Applications of Portable Spectroscopy 149 7.1 Introduction 149 7.2 Visible/Near-Infrared Hyperspectral Imaging for Bulk Explosive Material Detection and Camouflage Defeat Applications 150 7.3 Infrared Spectroradiometry for Remote Hazardous Vapor Detection and Early Warning 150 7.4 Infrared and Raman Spectroscopy for Condensed Phase Analysis (Energetics, Chemical Agents, Biological Agents) 151 7.5 Raman Spectroscopy for Surface Contamination Detection 153 7.6 Raman Spectroscopy for Presumptive Biological Hazard Classification and Early Warning of a Biowarfare Agent Attack 154 7.7 Fluorescence Spectroscopy as a Biological Detection “Trigger” 154 7.8 Networked Multimodal Sensors and Data Analytics and the Future 155 References 156 8 Applications of Ion Mobility Spectrometry 159 8.1 Introduction 159 8.2 Applications 162 8.3 Conclusion 174 References 175 9 Portable Spectroscopy in Hazardous Materials Response 179 9.1 The Hazmat Clinician 179 9.2 Defining the Mission: Meeting with the IC 180 9.3 Hazmat Huddle or Pre-Entry Brief 183 9.4 HPMS 190 9.5 Raman Spectroscopy 190 9.6 Fourier-Transform Infrared Spectroscopy (FT-IR) 191 9.7 IMS 191 9.8 GC–MS 192 9.9 Colorimetrics 193 9.10 Warranties and Reachback 193 9.11 Pitfalls 194 9.12 Complimentary Technologies 194 9.13 An Introduction to the ScientificWorking Group for the Analysis of Seized Drugs (SWGDRUG) 194 9.14 SWGDRUG Recommendations: How They Related to the Hazmat Field 195 9.15 Ancillary Equipment 196 References 198 10 Toward Clinical Applications of Smartphone Spectroscopy and Imaging 199 10.1 Smartphone Imaging and Spectroscopy Capabilities: An Overview 200 10.2 Clinical Biomarkers Targeted for the Smartphone 203 10.3 Toward Clinical Applications of the Smartphone in Low-Cost and Point-of-Care Settings 207 10.4 Toward Clinical Applications in Primary Care or Pathology Laboratory Settings 211 10.5 Microscopy and Imaging on the Smartphone and the Potential Clinical Applications 218 10.6 Optical Measurements with Smartphones in the Clinic: An Outlook 219 References 221 11 Applications of Portable and Handheld Infrared Spectroscopy 227 11.1 Rapid Response 228 11.2 Dispersed Samples 231 11.3 Nondestructive Testing 238 11.4 Conclusion 243 References 243 12 Spectra Transfer Between Benchtop Fourier-Transform Near-Infrared and Miniaturized Handheld Near-Infrared Spectrometers 249 12.1 Introduction 249 12.2 Experimental Details 255 12.3 Results and Discussion 256 12.4 Summary of Transfer Strategy 262 12.5 Conclusions 265 References 265 13 Applications of Handheld Near-Infrared Spectrometers 267 13.1 Introduction 267 13.2 Instrumentation 267 13.3 Applications 269 13.4 Qualitative Applications of Handheld NIR Spectrometers 269 13.5 Quantitative Analyses with Handheld NIR Spectrometers 276 13.6 Conclusions 294 Acknowledgments 295 References 295 14 X-Ray, LIBS, NMR, and MS Applications in Food, Feed, and Agriculture 299 14.1 Introduction 299 14.2 Applications of Transportable Spectroscopy and Spectrometry in Food, Feed, and Agriculture 301 14.3 Current Developments, Remaining Challenges, and Future Prospects 317 14.4 Concluding Remarks 319 References 319 15 Portable Near-Infrared Spectroscopy in Food Analysis 325 15.1 Introduction 325 15.2 Spectroscopy 326 15.3 Analysis, Sampling, and Detection Limits 327 15.4 Use of Portable Near-Infrared Instruments in Food Analysis 332 15.5 Summary 336 References 336 16 Handheld Raman, SERS, and SORS 347 16.1 Introduction 347 16.2 Raman Spectroscopy: Sampling Techniques, Technologies, and Considerations 347 16.3 Handheld Raman Devices 350 16.4 Sample Considerations 351 16.5 Usability Considerations 352 16.6 Surface-Enhanced Raman Spectroscopy (SERS) 352 16.7 Spatially Offset Raman Spectroscopy (SORS) 355 16.8 Standoff 358 16.9 Technology Combinations 358 16.10 Leveraging Data 359 16.11 Military Identification Applications 361 16.12 Pharmaceuticals 364 16.13 Narcotics 366 16.14 Novel Psychoactive Substances (NPS) 369 16.15 Summary 372 Acknowledgments 372 Images 372 References 372 17 Portable Raman Spectroscopy in Field Geology and Astrobiology Applications 377 17.1 Introduction 377 17.2 Dawn of Portable Raman Spectrometers 378 17.3 Conclusions 393 Acknowledgement 395 References 395 18 Hyperspectral Proximal Sensing Instruments and Their Applications for Exploration Through Cover 401 18.1 Introduction 401 18.2 Field VNIR-SWIR Sensors 402 18.3 Field and Laboratory Fourier Transform Infrared Spectrometers 406 18.4 Hyperspectral Drill Core Sensing 408 18.5 Data Processing 408 18.6 Applications 412 18.7 Summary 416 Acknowledgements 418 References 418 19 Handheld X-Ray Fluorescence (HHXRF) 423 19.1 Introduction – X-Ray Fluorescence 423 19.2 How DidWe Get Here – Evolution of a Handheld XRF Analyzer 425 19.3 Contemporary HHXRF Analyzer: Construction and Operation 427 19.4 Calibration Methods 433 19.5 The Most Important Applications for HHXRF Analyzers 436 19.6 Remarks on Safety When Using HHXRF 448 19.7 Summary and Possible Future Developments for HHXRF 448 References 449 20 XRF and LIBS for Field Geology 455 20.1 Introduction 455 20.2 X-Ray Fluorescence Spectroscopy (XRF) 457 20.3 Laser-Induced Breakdown Spectroscopy (LIBS) for Field Geology 471 20.4 Current Potential and Future Developments of Field-Portable XRF and LIBS 486 References 490 21 Portable Spectroscopy for Cultural Heritage 499 21.1 Introduction 499 21.2 Instrumentation 501 21.3 Applications to Cultural Heritage Research 503 21.4 Conclusions 516 Acknowledgments 516 References 517 22 Portable Spectroscopy for On-Site and In Situ Archaeology Studies 523 22.1 Introduction 523 22.2 Molecular and Vibrational Spectroscopic Analysis 524 22.3 Atomic Spectroscopic Analysis 527 22.4 Case Study – Characterization of a Multiphased Stone Tower in Monterubliaglio, Umbria (Italy) by Portable X-ray Fluorescence Spectrometry 530 22.5 Conclusions 537 Acknowledgements 538 References 538 23 The Future of Portable Spectroscopy 545 23.1 Introduction 545 23.2 Optical Spectroscopy 545 23.3 General Technology Improvements 546 23.4 Raman Spectrometers 548 23.5 XRF and LIBS 549 23.6 GC-MS and LC-MS 550 23.7 Ion Mobility Spectrometry (IMS) and High-Pressure Mass Spectrometry (HPMS) 550 23.8 NMR (Relaxometry, or Time-Domain NMR) 551 23.9 Hyphenation 551 23.10 Smartphone Spectrometers 552 23.11 Spectrometers Embedded in Consumer Goods 553 23.12 Spectrometers Marketed Directly to Consumers 555 23.13 Emerging Applications for Portable Spectrometers 557 23.14 Portable Hyperspectral Imaging 559 23.15 Biological Analyzers 560 23.16 Algorithms, Databases, and Calibrations 560 23.17 Conclusions 561 Acknowledgements 561 References 562 Index 573
Richard A. Crocombe, Pauline E. Leary and Brooke W. Kammrath
Craig M. Gardner, Robert L. Green, Lin Zhang, Lisa M. Lee and Suzanne K. Schreyer
Suzanne K. Schreyer
Xiaoyun Chen, Mark A. Rickard and Zhenbin Niu
Pauline E. Leary, Richard A. Crocombe and Ravi Kalyanaraman
Brooke W. Kammrath, Pauline E. Leary and John A. Reffner
Alan C. Samuels
Pauline E. Leary and Monica Joshi
David DiGregorio
William J. Peveler and W. Russ Algar
John A. Seelenbinder and Christina S. Robb
Uwe Hoffmann, Frank Pfeifer and Heinz W. Siesler
Hui Yan and Heinz W. Siesler
Krzysztof Bernard Be´c, Justyna Grabska and Christian Wolfgang Huck
Ellen V. Miseo, Felicity Meyer and James Ryan
Michael Hargreaves
H.G.M. Edwards, J. Jehliˇcka and A. Culka
Carsten Laukamp, Monica LeGras and Ian Christopher Lau
Stanislaw Piorek
Bruno Lemiere and Russell S. Harmon
Federica Pozzi, Adriana Rizzo, Elena Basso, Eva Mariasole Angelin, Susana França de Sá, Costanza Cucci and Marcello Picollo
Mary Kate Donais and Peter Vandenabeele
Richard A. Crocombe
Subject Areas: Chemistry [PN]
