Raman spectroscopy coupled with ambient ionization mass spectrometry: A forensic laboratory investigation into rapid and simple dual instrumental analysis techniques

Fedick, Patrick W.; Morato, Nicolás M.; Pu, Fan; Cooks, R. Graham

doi:10.1016/j.ijms.2020.116326

Title: Raman spectroscopy coupled with ambient ionization mass spectrometry: A forensic laboratory investigation into rapid and simple dual instrumental analysis techniques

Journal Article · Tue Mar 24 00:00:00 EDT 2020 · International Journal of Mass Spectrometry

DOI:https://doi.org/10.1016/j.ijms.2020.116326· OSTI ID:1800344

Fedick, Patrick W. ^[1]; Morato, Nicolás M. ^[2]; Pu, Fan ^[2]; Cooks, R. Graham ^[2]

Purdue Univ., West Lafayette, IN (United States); United States Navy Naval Air Systems Command (NAVAIR), China Lake, CA (United States)
Purdue Univ., West Lafayette, IN (United States)

We present a laboratory experiment, developed around a pair of instrumental analysis techniques, Raman spectroscopy and ambient ionization mass spectrometry (MS), conducted by senior chemistry undergraduate students for bulk analysis of over-the-counter drugs using benchtop versions of the two instruments, as well as trace analysis of illicit drugs utilizing the corresponding portable instruments. The identification and confirmation of seized drugs is a routine operation in forensic laboratories that can be simplified using these two instrumental techniques in tandem. Bulk samples are readily analyzed using conventional Raman spectroscopy followed by paper cone spray ionization (PCSI) MS, while trace analysis is allowed by a simple single-substrate dual-analyzer method using surface enhanced Raman spectroscopy (SERS) from paper followed by paper spray ionization (PSI) MS. The introduction of these novel strategies to the students exposed them to potential career paths in forensic science by means of a hands-on experience that provided fundamental knowledge about this set of analytical methods, including intercomparisons of their performance, as well as practical issues like costs, regulations and databases. The use of portable instrumentation represents an additional learning experience for the students, considering that it is cutting-edge technology that is just now being transferred from academic to industrial labs and that it allows a valuable discussion of the advantages and disadvantages of bringing the laboratory to the field.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Purdue Univ., West Lafayette, IN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-06ER15807

OSTI ID:: 1800344

Alternate ID(s):: OSTI ID: 1607942

Journal Information:: International Journal of Mass Spectrometry, Vol. 452; ISSN 1387-3806

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 7 works

Citation information provided by
Web of Science

References (49)

Simple SERS substrates: powerful, portable, and full of potential Betz, Jordan F.; Yu, Wei W.; Cheng, Yi Phys. Chem. Chem. Phys., Vol. 16, Issue 6 https://doi.org/10.1039/C3CP53560F	journal	January 2014
Quantitative Swab Touch Spray Mass Spectrometry for Oral Fluid Drug Testing Morato, Nicolás M.; Pirro, Valentina; Fedick, Patrick W. Analytical Chemistry, Vol. 91, Issue 11 https://doi.org/10.1021/acs.analchem.9b01637	journal	May 2019
Swab touch spray mass spectrometry for rapid analysis of organic gunshot residue from human hand and various surfaces using commercial and fieldable mass spectrometry systems Fedick, Patrick W.; Bain, Ryan M. Forensic Chemistry, Vol. 5 https://doi.org/10.1016/j.forc.2017.06.005	journal	September 2017
Forensic Mass Spectrometry Hoffmann, William D.; Jackson, Glen P. Annual Review of Analytical Chemistry, Vol. 8, Issue 1 https://doi.org/10.1146/annurev-anchem-071114-040335	journal	July 2015
Inkjet Printed Surface Enhanced Raman Spectroscopy Array on Cellulose Paper Yu, Wei W.; White, Ian M. Analytical Chemistry, Vol. 82, Issue 23 https://doi.org/10.1021/ac102475k	journal	December 2010
Inkjet-printed paper-based SERS dipsticks and swabs for trace chemical detection Yu, Wei W.; White, Ian M. The Analyst, Vol. 138, Issue 4 https://doi.org/10.1039/C2AN36116G	journal	January 2013
Forensic Chemistry and Ambient Mass Spectrometry: A Perfect Couple Destined for a Happy Marriage? Correa, Deleon N.; Santos, Jandyson M.; Eberlin, Livia S. Analytical Chemistry, Vol. 88, Issue 5 https://doi.org/10.1021/acs.analchem.5b02397	journal	February 2016
Conformational Stability of Ibuprofen: Assessed by DFT Calculations and Optical Vibrational Spectroscopy Vueba, M. L.; Pina, M. E.; Batista de Carvalho, L. A. E. Journal of Pharmaceutical Sciences, Vol. 97, Issue 2 https://doi.org/10.1002/jps.21007	journal	February 2008
Toxicological Drug Screening using Paper Spray High-Resolution Tandem Mass Spectrometry (HR-MS/MS) McKenna, Josiah; Jett, Rachel; Shanks, Kevin Journal of Analytical Toxicology, Vol. 42, Issue 5 https://doi.org/10.1093/jat/bky001	journal	January 2018
Chemical Sniffing Instrumentation for Security Applications Giannoukos, Stamatios; Brkić, Boris; Taylor, Stephen Chemical Reviews, Vol. 116, Issue 14 https://doi.org/10.1021/acs.chemrev.6b00065	journal	June 2016
Knowing the unknown – State of the art of LCMS in toxicology Rentsch, Katharina M. TrAC Trends in Analytical Chemistry, Vol. 84 https://doi.org/10.1016/j.trac.2016.01.028	journal	November 2016
Green Synthesis of Ibuprofen–Nicotinamide Cocrystals and In-Line Evaluation by Raman Spectroscopy Soares, Frederico L. F.; Carneiro, Renato L. Crystal Growth & Design, Vol. 13, Issue 4 https://doi.org/10.1021/cg3017112	journal	March 2013
State-of-the-art mass spectrometry for point-of-care and other applications: A hands-on intensive short course for undergraduate students Fedick, Patrick W.; Bain, Ryan M.; Miao, Shunshun International Journal of Mass Spectrometry, Vol. 417 https://doi.org/10.1016/j.ijms.2017.04.008	journal	June 2017
Highly sensitive and flexible inkjet printed SERS sensors on paper Hoppmann, Eric P.; Yu, Wei W.; White, Ian M. Methods, Vol. 63, Issue 3 https://doi.org/10.1016/j.ymeth.2013.07.010	journal	October 2013
Analysis of Residual Explosives by Swab Touch Spray Ionization Mass Spectrometry Bain, Ryan M.; Fedick, Patrick W.; Dilger, Jonathan M. Propellants, Explosives, Pyrotechnics, Vol. 43, Issue 11 https://doi.org/10.1002/prep.201800122	journal	September 2018
Portable analytical platforms for forensic chemistry: A review de Araujo, William R.; Cardoso, Thiago M. G.; da Rocha, Raquel G. Analytica Chimica Acta, Vol. 1034 https://doi.org/10.1016/j.aca.2018.06.014	journal	November 2018
Bloodstains, paintings, and drugs: Raman spectroscopy applications in forensic science Khandasammy, Shelby R.; Fikiet, Marisia A.; Mistek, Ewelina Forensic Chemistry, Vol. 8 https://doi.org/10.1016/j.forc.2018.02.002	journal	May 2018
Detection and Quantitation of Trace Fentanyl in Heroin by Surface-Enhanced Raman Spectroscopy Haddad, Abed; Comanescu, Mircea A.; Green, Omar Analytical Chemistry, Vol. 90, Issue 21 https://doi.org/10.1021/acs.analchem.8b02909	journal	September 2018
Forensic Sampling and Analysis from a Single Substrate: Surface-Enhanced Raman Spectroscopy Followed by Paper Spray Mass Spectrometry Fedick, Patrick W.; Bills, Brandon J.; Manicke, Nicholas E. Analytical Chemistry, Vol. 89, Issue 20 https://doi.org/10.1021/acs.analchem.7b02798	journal	October 2017
Identification and Confirmation of Fentanyls on Paper using Portable Surface Enhanced Raman Spectroscopy and Paper Spray Ionization Mass Spectrometry Fedick, Patrick W.; Pu, Fan; Morato, Nicolás M. Journal of the American Society for Mass Spectrometry, Vol. 31, Issue 3 https://doi.org/10.1021/jasms.0c00004	journal	February 2020
Escape ClassRoom: Can You Solve a Crime Using the Analytical Process? Ferreiro-González, Marta; Amores-Arrocha, Antonio; Espada-Bellido, Estrella Journal of Chemical Education, Vol. 96, Issue 2 https://doi.org/10.1021/acs.jchemed.8b00601	journal	January 2019
Monitoring the clandestine synthesis of methamphetamine in real-time with ambient sampling, portable mass spectrometry O'Leary, Adam E.; Hall, Seth E.; Vircks, Kyle E. Analytical Methods, Vol. 7, Issue 17 https://doi.org/10.1039/C5AY00511F	journal	January 2015
Application of Raman Spectroscopy, Surface-Enhanced Raman Scattering (SERS), and Density Functional Theory for the Identification of Phenethylamines Taplin, Francis; O'Donnell, Deanna; Kubic, Thomas Applied Spectroscopy, Vol. 67, Issue 10 https://doi.org/10.1366/13-06990	journal	October 2013
Vibrational properties of ibuprofen-cyclodextrin inclusion complexes investigated by Raman scattering and numerical simulation Rossi, Barbara; Verrocchio, Paolo; Viliani, Gabriele Journal of Raman Spectroscopy, Vol. 40, Issue 4 https://doi.org/10.1002/jrs.2150	journal	April 2009
Process Analytical Technology for Online Monitoring of Organic Reactions by Mass Spectrometry and UV–Vis Spectroscopy Fedick, Patrick W.; Schrader, Robert L.; Ayrton, Stephen T. Journal of Chemical Education, Vol. 96, Issue 1 https://doi.org/10.1021/acs.jchemed.8b00725	journal	December 2018
A GC–MS method for the detection and quantitation of ten major drugs of abuse in human hair samples Orfanidis, A.; Mastrogianni, O.; Koukou, A. Journal of Chromatography B, Vol. 1047 https://doi.org/10.1016/j.jchromb.2016.11.011	journal	March 2017
Recent advances of liquid chromatography–(tandem) mass spectrometry in clinical and forensic toxicology — An update Remane, Daniela; Wissenbach, Dirk K.; Peters, Frank T. Clinical Biochemistry, Vol. 49, Issue 13-14 https://doi.org/10.1016/j.clinbiochem.2016.07.010	journal	September 2016
An Interdisciplinary Guided Inquiry Laboratory for First Year Undergraduate Forensic Science Students Cresswell, Sarah L.; Loughlin, Wendy A. Journal of Chemical Education, Vol. 92, Issue 10 https://doi.org/10.1021/acs.jchemed.5b00183	journal	August 2015
Postmortem tissue distribution of acetyl fentanyl, fentanyl and their respective nor-metabolites analyzed by ultrahigh performance liquid chromatography with tandem mass spectrometry Poklis, Justin; Poklis, Alphonse; Wolf, Carl Forensic Science International, Vol. 257 https://doi.org/10.1016/j.forsciint.2015.10.021	journal	December 2015
Ambient Ionization Mass Spectrometry: Recent Developments and Applications Feider, Clara L.; Krieger, Anna; DeHoog, Rachel J. Analytical Chemistry, Vol. 91, Issue 7 https://doi.org/10.1021/acs.analchem.9b00807	journal	February 2019
Balancing the utility and legality of implementing portable mass spectrometers coupled with ambient ionization in routine law enforcement activities Bruno, Alessandra M.; Cleary, Scott R.; O'Leary, Adam E. Analytical Methods, Vol. 9, Issue 34 https://doi.org/10.1039/C7AY00972K	journal	January 2017
Chiral Analysis by Tandem Mass Spectrometry Using the Kinetic Method, by Polarimetry, and by ¹ H NMR Spectroscopy Fedick, Patrick W.; Bain, Ryan M.; Bain, Kinsey Journal of Chemical Education, Vol. 94, Issue 9 https://doi.org/10.1021/acs.jchemed.7b00090	journal	July 2017
A Low-Cost, Simplified Platform of Interchangeable, Ambient Ionization Sources for Rapid, Forensic Evidence Screening on Portable Mass Spectrometric Instrumentation Fedick, Patrick; Fatigante, William; Lawton, Zachary Instruments, Vol. 2, Issue 2 https://doi.org/10.3390/instruments2020005	journal	March 2018
Filter Cone Spray Ionization Coupled to a Portable MS System: Application to On-Site Forensic Evidence and Environmental Sample Analysis Fatigante, William L.; Mukta, Shahnaz; Lawton, Zachary E. Journal of the American Society for Mass Spectrometry, Vol. 31, Issue 2 https://doi.org/10.1021/jasms.9b00098	journal	December 2019
Surface-enhanced Raman scattering of some water insoluble drugs in silver hydrosols Wang, Yu; Li, Ying-Sing; Zhang, Zenxin Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 59, Issue 3 https://doi.org/10.1016/S1386-1425(02)00213-5	journal	February 2003
Accelerated Chemical Synthesis: Three Ways of Performing the Katritzky Transamination Reaction Schrader, Robert L.; Fedick, Patrick W.; Mehari, Tsdale F. Journal of Chemical Education, Vol. 96, Issue 2 https://doi.org/10.1021/acs.jchemed.8b00658	journal	January 2019
Paper cone spray ionization mass spectrometry (PCSI MS) for simple and rapid analysis of raw solid samples Kim, Purum; Cha, Sangwon The Analyst, Vol. 140, Issue 17 https://doi.org/10.1039/C5AN01062D	journal	January 2015
Tracking the distribution of “ecstasy” tablets by Raman composition profiling: A large scale feasibility study Bell, Steven E. J.; Barrett, Lindsay. J.; Burns, D. Thorburn The Analyst, Vol. 128, Issue 11 https://doi.org/10.1039/B308312H	journal	January 2003
Quantitative determination of acetylsalicylic acid and acetaminophen in tablets by FT-Raman spectroscopyElectronic Supplementary Information available. See http://www.rsc.org/suppdata/an/b1/b108240j/ Szostak, Roman; Mazurek, Sylwester The Analyst, Vol. 127, Issue 1 https://doi.org/10.1039/b108240j	journal	December 2001
Reinforcing Mass Spectrometry Concepts through an Undergraduate Laboratory Exercise Utilizing a Direct Analysis in Real Time Enabled Mass Spectrometer Beck, Rachel C.; Erdmann, Mitzy A. Journal of Chemical Education, Vol. 95, Issue 4 https://doi.org/10.1021/acs.jchemed.7b00437	journal	February 2018
Novel Selectivity-Based Forensic Toxicological Validation of a Paper Spray Mass Spectrometry Method for the Quantitative Determination of Eight Amphetamines in Whole Blood Teunissen, Sebastiaan F.; Fedick, Patrick W.; Berendsen, Bjorn J. A. Journal of The American Society for Mass Spectrometry, Vol. 28, Issue 12 https://doi.org/10.1007/s13361-017-1790-0	journal	September 2017
Analytical Validation of a Portable Mass Spectrometer Featuring Interchangeable, Ambient Ionization Sources for High Throughput Forensic Evidence Screening Lawton, Zachary E.; Traub, Angelica; Fatigante, William L. Journal of The American Society for Mass Spectrometry, Vol. 28, Issue 6 https://doi.org/10.1007/s13361-016-1562-2	journal	December 2016
How do I become a forensic scientist? Educational pathways to forensic science careers Gaensslen, R. E. Analytical and Bioanalytical Chemistry, Vol. 376, Issue 8 https://doi.org/10.1007/s00216-003-1834-0	journal	August 2003
Versatile New Ion Source for the Analysis of Materials in Open Air under Ambient Conditions Cody, Robert B.; Laramée, James A.; Durst, H. Dupont Analytical Chemistry, Vol. 77, Issue 8, p. 2297-2302 https://doi.org/10.1021/ac050162j	journal	April 2005
Development, Characterization, and Application of Paper Spray Ionization Liu, Jiangjiang; Wang, He; Manicke, Nicholas E. Analytical Chemistry, Vol. 82, Issue 6, p. 2463-2471 https://doi.org/10.1021/ac902854g	journal	March 2010
Rapid determination of isocitrate dehydrogenase mutation status of human gliomas by extraction nanoelectrospray using a miniature mass spectrometer Pu, Fan; Alfaro, Clint M.; Pirro, Valentina Analytical and Bioanalytical Chemistry, Vol. 411, Issue 8 https://doi.org/10.1007/s00216-019-01632-5	journal	February 2019
Mass Spectrometry Sampling Under Ambient Conditions with Desorption Electrospray Ionization Takats, Z. Science, Vol. 306, Issue 5695, p. 471-473 https://doi.org/10.1126/science.1104404	journal	October 2004
Forensic Science Brettell, T. A.; Butler, J. M.; Almirall, J. R. Analytical Chemistry, Vol. 83, Issue 12 https://doi.org/10.1021/ac201075e	journal	June 2011
Combination of Raman Spectroscopy and Mass Spectrometry for Online Chemical Analysis Meher, Anil Kumar; Chen, Yu-Chie Analytical Chemistry, Vol. 88, Issue 18 https://doi.org/10.1021/acs.analchem.6b02152	journal	September 2016

Similar Records

Pressure-Sensitive Adhesive Combined with Paper Spray Mass Spectrometry for Low-Cost Collection and Analysis of Drug Residues

Journal Article · Tue Sep 28 00:00:00 EDT 2021 · Analytical Chemistry · OSTI ID:1800344

Nguyen, Chau Bao; Wichert, William A.; Carmany, Daniel O.; +5 more

Integration of paper spray ionization high‐field asymmetric waveform ion mobility spectrometry for forensic applications

Journal Article · Mon Mar 05 00:00:00 EST 2018 · Rapid Communications in Mass Spectrometry · OSTI ID:1800344

Tsai, Chia‐Wei; Tipple, Christopher A.; Yost, Richard A.

Design Considerations for a Portable Raman Probe Spectrometer for Field Forensics

Journal Article · Sun Jan 01 00:00:00 EST 2012 · International Journal of Spectroscopy · OSTI ID:1800344

Kelly, James F.; Blake, Thomas A.; Bernacki, Bruce E.; +1 more

Related Subjects

47 OTHER INSTRUMENTATION
forensic analysis
laboratory instruction
hands-on learning
Raman spectroscopy
paper surface enhanced Raman spectroscopy
mass spectrometry
paper spray ionization
paper cone spray ionization
ambient ionization
drugs of abuse

Title: Raman spectroscopy coupled with ambient ionization mass spectrometry: A forensic laboratory investigation into rapid and simple dual instrumental analysis techniques

Citation Formats

References (49)

Similar Records

Related Subjects