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

<p><b>RICHARD A. CROCOMBE PhD</b>, operates Crocombe Spectroscopy Consulting, served as the 2020 President of the Society for Applied Spectroscopy (SAS), and is Chair of the SPIE ‘Next-Generation Spectroscopic Technologies’ conference. He has 40 years of experience in the analytical instrumentation business. For the last 15 years, he has specialized in miniature and portable spectrometers.</p><p><b>PAULINE E. LEARY, PhD</b>, is a Reachback Chemist at Federal Resources where she specializes in miniature and portable spectrometers and instrument platforms. For over 15 years, she has been training users, including field scientists, emergency responders, and conventional and specialized forces of the United States military, on the theory and operation of portable systems. Pauline has presented on portable instruments at conferences and technical symposia throughout the world.</p><p><b>BROOKE W. KAMMRATH, PhD</b>, is the Assistant Director of the Henry C. Lee Institute of Forensic Science and an Associate Professor in the Forensic Science Department of the Henry C. Lee College of Criminal Justice and Forensic Sciences at University of New Haven. She also serves as a scientific consultant and expert witness for both criminal and civil cases. She served as the President of the New York Microscopical Society (NYMS) from 2017-2019, is on the Governing Board of the Eastern Analytical Symposium (EAS), and is a Diplomate of the American Board of Criminalistics (ABC).</p>

<p><b>The most comprehensive resource available on the many applications of portable spectrometers, including material not found in any other published work</b></p><p><i>Portable Spectroscopy and Spectrometry: Volume Two</i> is an authoritative and up-to-date compendium of the diverse applications for portable spectrometers across numerous disciplines. Whereas <i>Volume One</i> focuses on the specific technologies of the portable spectrometers themselves, <i>Volume Two</i> 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.</p><p><i>Volume Two</i> 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 <i>Portable Spectroscopy and Spectrometry:</i></p><ul><li>Features a significant amount of content published for the first time, or not available in existing literature</li><li><bl>Brings together work by authors with assorted backgrounds and fields of study</li><li>Discusses the central role of applications in portable instrument development</li><li>Covers the algorithms, calibrations, and libraries that are of critical importance to successful applications of portable instruments</li><li>Includes chapters on portable spectroscopy applications in areas such as the military, agriculture and feed, hazardous materials (HazMat), art conservation, and environmental science</li></ul><p><i>Portable Spectroscopy and Spectrometry: Volume Two</i> 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.</p>

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