data Archives
The experimental results from these projects are reported under the headings below that reflect the titles of the publications in which the work has appeared. These titles are associated with links to the articles themselves. The data generated in the course of the sub-projects reflected in the article titles can be found in the Supporting Information file link that appears beneath each.
RESULTS AND DATA FOR NIJ PROJECT: Research and Development Using High-level Quantum Chemistry Calculations for the Creation of a Rapid Field Test for the Identification and Differentiation of Hemp and Marijuana (15PNIJ-22-GG-04423-SLFO)
RESULTS AND DATA FOR NIJ PROJECT: Research and Development of a Rapid Approach for Identification of Calliphoridae Species Entomological Forensic Evidence Based on DART-HRMS-derived Chemical Signatures and Chemometrics (2020-MU-MU-0016)
Osborne, A.M., Beyramysoltan, S. and Musah, R.A. Distinguishing Infested Flour from Uninfested Flour through Chemometric Processing of DART-HRMS Data - Revealing the Presence of Tribolium castaneum, the Red Flour Beetle. J Agric Food Chem. (2023), 71, 8613-8621. doi: 10.1021/acs.jafc.3c00685.
Beyramysoltan, S., Ventura, M.I., Rosati, J.Y., Giffen-Lemieux, J.E., and Musah, R.A. Identification of the Species Constituents of Maggot Populations Feeding on Decomposing Remains - Facilitation of the Determination of Post Mortem Interval and Time Since Tissue Infestation through Application of Machine Learning and Direct Analysis in Real Time-Mass Spectrometry. Anal Chem. (2020), 92, 5439-5446. doi: 10.1021/acs.analchem.0c00199.
Giffen-Lemieux, J.E., Okuda, K., Rosati, J.Y., and Musah, R.A. Characterization of the Volatiles’ Profiles of the Eggs of Forensically Relevant Lucilia sericata and Phormia regina (Diptera: Calliphoridae) Blow Flies by SPME-Facilitated GC-MS. J Med Entomol. (2020), 57, 994-1005. doi: 10.1093/jme/tjaa018.
Beyramysoltan, S., Giffen, J.E., Rosati, J.Y., and Musah, R.A. Direct Analysis in Real Time-Mass Spectrometry and Kohonen Artificial Neural Networks for Species Identification of Larva, Pupa and Adult Life Stages of Carrion Insects. Anal Chem. (2018), 90, 9206-9217, doi: 10.1021/acs.analchem.8b01704.
Giffen, J.E., Rosati, J.Y., Longo, C.M., and Musah, R.A. Species Identification of Necrophagous Insect Eggs Based on Amino Acid Profile Differences Revealed by Direct Analysis in Real Time-High Resolution Mass Spectrometry. Anal Chem. (2017), 89, 7719-7726, doi: 10.1021/acs.analchem.7b01708.
Results and Data for NIJ Project: Research to Develop Validated Methods for THC Quantification in Complex Matrices by High-resolution DART-MS: Focus on Edibles and Plant MaterialS (2019-DU-BX-0026)
Chambers, M.I., Garosi, B. and Musah, R.A. DART-MS Facilitated Quantification of Cannabinoids in Complex Edible Matrices─Focus on Chocolates and Gelatin-Based Fruit Candies. ACS Omega. (2023), 8, 14459-14469. doi: 10.1021/acsomega.2c08172.
Chambers, M.I., Beyramysoltan, S., Garosi, B. and Musah, R.A. Combined Ambient Ionization Mass Spectrometric and Chemometric Approach for the Differentiation of Hemp and Marijuana Varieties of Cannabis sativa. J. Cannabis Res. (2023), 5. doi: 10.1186/s42238-023-00173-0.
Chambers, M.I. and Musah, R.A. DART-HRMS Triage Approach Part 2 - Application of the Detection of Cannabinoids and Terpenes in Recreational Cannabis Products. Forensic Chem. (2023), 33, 100469. doi: 10.1016/j.forc.2023.100469.
Chambers, M.I. and Musah, R.A. DART-HRMS as a Triage Approach for the Rapid Analysis of Cannabinoid-infused Edible Matrices, Personal-care Products and Cannabis sativa Hemp Plant Material. Forensic Chem. (2022), 27, 100382. doi: 10.1016/j.forc.2021.100382.
Beyramysoltan, S., Abdollahi, H. and Musah, R.A. Workflow for the Supervised Learning of Chemical Data: Efficient Data Reduction-Multivariate Curve Resolution (EDR-MCR). Anal Chem. (2021). 93, 5020-5027. doi: 10.1021/acs.analchem.0c01427.
RESULTS AND DATA FOR NIJ PROJECT: Chemometric Processing of DART-HRMS-derived Dark Matter for the Identification of New Psychoactive Substances (2017-R2-CX-0020)
Ventura, M.I., Beyramysoltan, S. and Musah, R.A. Revealing the Presence of Tryptamine New Psychoactive Substances using Fused “Neutral Loss” Spectra Derived from DART High-resolution Mass Spectra. Talanta. (2022), 246, 123417. doi: 10.1016/j.talanta.2022.123417.
Longo, C.M. and Musah, R.A. MALDI-Mass Spectrometry Imaging for Touch Chemistry Biometric Analysis: Establishment of Exposure to Nitroaromatic Explosives Through Chemical Imaging of Latent Fingermarks. Forensic Chem. (2020), 20, 100269. doi: 10.1016/j.forc.2020.100269.
Fowble, K.L. and Musah, R.A. Utilizing Direct Analysis in Real Time-High Resolution Mass Spectrometry-derived Dark Matter Spectra to Classify and Identify Unknown Synthetic Cathinones. Methods Mol Biol. (2018), 1810, 217-225, doi: 10.1007/978-1-4939-8579-1_19.
Fowble, K.L., Shepard, J.R.E., and Musah, R.A. Identification and Classification of Cathinone Unknowns by Statistical Analysis Processing of Direct Analysis in Real Time-High Resolution Mass Spectrometry-Derived “Neutral Loss” Spectra. Talanta (2018), 179, 546-553, doi: 10.1016/j.talanta.2017.11.020.
Fowble, K.L., Teramoto, K., Cody, R.B., Edwards, D., Guarrera, D., and Musah, R.A. Development of "Laser Ablation Direct Analysis in Real Time Imaging" Mass Spectrometry: Application to Spatial Distribution Mapping of Metabolites Along the Biosynthetic Cascade Leading to Synthesis of Atropine and Scopolamine in Plant Tissue. Anal Chem. (2017), 89, 3421-3429, doi: 10.1021/acs.analchem.6b04137.
RESULTS AND DATA FOR NIJ PROJECT: Development of Ambient Ionization Mass Spectrometric and Multivariate Statistical Analysis Methods for Rapid High Throughput Analysis and Identification of Psychotropic Plant Species (2015-DN-BX-K057)
Chambers, M.I., Giffen-Lemieux, J.E. and Musah, R.A. Rapid Detection and Quantification of Hallucinogenic Salvinorin A in Commercial Salvia divinorum Products by DART-HRMS. ACS Omega. (2023), 8, 761-770. doi: 10.1021/acsomega.2c06106.
Beyramysoltan, S., Chambers, M.I., Osborne, A.M., Ventura, M.I. and Musah, R.A. Introducing “DoPP”: A Graphical User-Friendly Application for the Rapid Species Identification of Psychoactive Plant Materials and Quantification of Psychoactive Small Molecules Using DART-MS Data. Anal Chem. (2022), 94, 16570-16578. doi: 10.1021/acs.analchem.2c01614.
Appley, M.G., Chambers, M.I. and Musah, R.A. Quantification of Hordenine in a Complex Plant Matrix by Direct Analysis in Real Time - High-Resolution Mass Spectrometry: Application to the “Plant of Concern” Sceletium tortuosum. Drug Test Anal. (2022), 14, 604-612. doi: 10.1002/dta.3193.
Beyramysoltan, S., Abdollahi, H. and Musah, R.A. Workflow for the Supervised Learning of Chemical Data: Efficient Data Reduction-Multivariate Curve Resolution (EDR-MCR). Anal Chem. (2021). 93, 5020-5027. doi: 10.1021/acs.analchem.0c01427.
Chambers, M.I., Appley, M.G., Longo, C.M. and Musah, R.A. Detection and Quantification of Psychoactive N,N-Dimethyltryptamine in Ayahuasca Brews by Ambient Ionization High-Resolution Mass Spectrometry. ACS Omega. (2020), 5, 28547-28554. doi: 10.1021/acsomega.0c03196.
Longo, C.M. and Musah, R.A. An Efficient Ambient Ionization Mass Spectrometric Approach to Detection and Quantification of the Mescaline Content of Commonly Abused Cacti from the Echinopsis Genus. J Forensic Sci. (2020), 65, 61-66. doi: 10.1111/1556-4029.14134.
Appley, M.G., Beyramysoltan, S., and Musah, R.A. Random Forest Processing of Direct Analysis in Real-Time Mass Spectrometric Data Enables Species Identification of Psychoactive Plants from Their Headspace Chemical Signatures. ACS Omega. (2019), 4, 15636-15644. doi: 10.1021/acsomega.9b02145.
Fowble, K.L. and Musah, R.A. Simultaneous Imaging of Latent Fingermarks and Detection of Analytes of Forensic Relevance by Laser Ablation Direct Analysis in Real Time Imaging-Mass Spectrometry (LADI-MS). Forensic Chem. (2019), 15, 100173. doi: 10.1016/j.forc.2019.100173.
Chambers, M.I., Osborne, A.M. and Musah, R.A. Rapid Detection and Validated Quantification of Psychoactive Compounds in Complex Plant Matrices by Direct Analysis in Real Time-High Resolution Mass Spectrometry - Application to “Kava” Psychoactive Pepper Products. Rapid Commun Mass Spectrom. (2019), 33, 1915-1925. doi: 10.1002/rcm.8532.
Beyramysoltan, S., Abdul-Rahman, N., and Musah, R.A. Call it a “Nightshade” - A Hierarchical Classification Approach to Identification of Hallucinogenic Solanaceae spp. Using DART-HRMS-derived Chemical Signatures. Talanta. (2019), 204, 739-746, doi: 10.1016/j.talanta.2019.06.010.
Fowble, K.L. and Musah, R.A. A Validated Method for the Quantification of Mitragynine in Sixteen Commercially Available Kratom (Mitragyna speciosa) Products. Forensic Sci Int. (2019), 299, 195-202, doi: 10.1016/j.forsciint.2019.04.009.
Fowble, K.L., Okuda, K., Cody, R.B., and Musah, R.A. Spatial Distributions of Furan and 5-Hydroxymethylfurfural in Unroasted and Roasted Coffea arabica Beans. Food Res Int. (2019), 119, 725-732, doi: 10.1016/j.foodres.2018.10.052
Lesiak, A.D., Fowble, K.L., and Musah, R.A. A Rapid, High-throughput Validated Method for the Quantification of Atropine in Datura stramonium Seeds using Direct Analysis in Real Time-High Resolution Mass Spectrometry (DART-HRMS). Methods Mol Biol. (2018), 1810, 207-215, doi: 10.1007/978-1-4939-8579-1_18.
Longo, C.M. and Musah, R.A. Detection of Diagnostic Plant-Derived Psychoactive Biomarkers in Fingerprints by MALDI-SpiralTOF-Mass Spectrometry Imaging. Methods Mol Biol. (2018), 1810, 125-132, doi: 10.1007/978-1-4939-8579-1_12.
Fowble, K.L., Teramoto, K., Cody, R.B., Edwards, D., Guarrera, D., and Musah, R.A. Development of "Laser Ablation Direct Analysis in Real Time Imaging" Mass Spectrometry: Application to Spatial Distribution Mapping of Metabolites Along the Biosynthetic Cascade Leading to Synthesis of Atropine and Scopolamine in Plant Tissue. Anal Chem. (2017), 89, 3421-3429, doi: 10.1021/acs.analchem.6b04137.
Giffen, J.E., Lesiak, A.D., Dane, A.J., Cody, R.B., and Musah, R.A. Rapid Species-level Identification of Salvias by Chemometric Processing of Ambient Ionisation Mass Spectrometry-derived Chemical Profiles. Phytochem Anal. (2016), 28, 16-26, doi: 10.1002/pca.2639.
Lesiak, A.D. and Musah, R.A. Application of Ambient Ionization High Resolution Mass Spectrometry to Determination of the Botanical Provenance of the Constituents of Psychoactive Drug Mixtures. Forensic Sci Int. (2016), 266, 271-280, doi: 10.1016/j.forsciint.2016.06.009.
Lesiak, A.D. and Musah, R.A. Rapid High-throughput Species Identification of Botanical Material Using Direct Analysis in Real Time High Resolution Mass Spectrometry. JoVE (2016), 116, doi: 10.3791/54197.
Lesiak, A.D. and Musah, R.A. More Than Just Heat: Ambient Ionization Mass Spectrometry for Determination of the Species of Origin of Processed Commercial Products—Application to Psychoactive Pepper Supplements. Anal Methods (2016), 8, 1646-1658, doi: 10.1039/C5AY02570B.
Lesiak, A.D., Cody, R.B., Ubukata, M., and Musah, R.A. Direct Analysis in Real Time High Resolution Mass Spectrometry as a Tool for Rapid Characterization of Mind-Altering Plant Materials and Revelation of Supplement Adulteration-the Case of Kanna. Forensic Sci Int. (2016), 260, 66-73, doi: 10.1016/j.forsciint.2015.12.037.
Musah, R.A., Lesiak, A.D., Maron, M., Cody, R.B., Edwards, D., Fowble, K.L., Dane, A.J., and Long, M. Mechanosensitivity Below Ground: Touch-Sensitive Smell-Producing Roots in the ‘Shy Plant’, Mimosa pudica L. Plant Physiol. (2016), 170, 1075-1089, doi:10.1104/pp.15.01705.
Lesiak, A.D., Cody, R.B., Dane, A.J., and Musah, R.A. Plant Seed Species Identification from Chemical Fingerprints: A High-Throughput Application of Direct Analysis in Real Time Mass Spectrometry. Anal Chem. (2015), 87, 8748-8757, doi: 10.1021/acs.analchem.5b01611.
Musah, R.A., Espinoza, E.O., Cody, R.B., Lesiak, A.D., Christensen, E.D., Moore, H., Maleknia, S., and Drijfhout, F. A High Throughput Ambient Mass Spectrometric Approach to Species Identification and Classification from Metabolome Profiles. Sci Reports (2015), 5, 11520, doi: 10.1038/srep11520.
Lesiak, A.D., Cody, R.B., Dane, A.J., and Musah, R.A. Rapid Detection by Direct Analysis in Real Time-Mass Spectrometry (DART-MS) of Psychoactive Plant Drugs of Abuse: The Case of Mitragyna speciosa aka “Kratom". Forensic Sci Int. (2014), 24, 210-218, doi: 10.1016/j.forsciint.2014.07.005.
Lesiak, A.D., Musah, R.A., Domin, M.A., and Shepard, J.R.E. DART-MS as a Preliminary Screening Method for “Herbal Incense”: Chemical Analysis of Synthetic Cannabinoids. J Forensic Sci. (2014), 59, 337–343, doi: 10.1111/1556-4029.12354.
Musah, R.A., Domin, M.A., Walling, M.A., and Shepard, J.R.E. Rapid Identification of Synthetic Cannabinoids in Herbal Samples via Direct Analysis in Real Time Mass Spectrometry. Rapid Commun Mass Spectrom. (2012), 26, 1109–1114, doi: 10.1002/rcm.6205.
RESULTS AND DATA FOR NIJ PROJECT: Statistical Analysis and Forensics Determination of Designer Drugs via Direct Analysis in Real Time Mass Spectrometry (DART-MS) (2013-DN-BX-K041)
Fowble, K.L. and Musah, R.A. Utilizing Direct Analysis in Real Time-High Resolution Mass Spectrometry-derived Dark Matter Spectra to Classify and Identify Unknown Synthetic Cathinones. Methods Mol Biol. (2018), 1810, 217-225, doi: 10.1007/978-1-4939-8579-1_19.
Fowble, K.L., Shepard, J.R.E., and Musah, R.A. Identification and Classification of Cathinone Unknowns by Statistical Analysis Processing of Direct Analysis in Real Time-High Resolution Mass Spectrometry-Derived “Neutral Loss” Spectra. Talanta (2018), 179, 546-553, doi: 10.1016/j.talanta.2017.11.020.
Musah, R.A., Cody, R.B., Domin, M.A., Lesiak, A.D., Dane, A.J., and Shepard, J.R.E. DART-MS In-source Collision Induced Dissociation and High Mass Accuracy for New Psychoactive Substance Determinations. Forensic Sci Int. (2014), 244, 42-49, doi: 10.1016/j.forsciint.2014.07.028.
Lesiak, A.D., Musah, R.A., Cody, R.B., Domin, M.A., Dane, A.J., and Shepard, J.R.E. Direct Analysis in Real Time Mass Spectrometry (DART-MS) of "Bath Salt" Cathinone Drug Mixtures. Analyst (2013), 138, 3424-3432, doi:10.1039/C3AN00360D.
Musah, R.A., Domin, M.A., Cody, R.B., Lesiak, A.D., Dane, A.J., and Shepard, J.R.E. Direct Analysis in Real Time Mass Spectrometry with Collision-Induced Dissociation for Structural Analysis of Synthetic Cannabinoids. Rapid Commun Mass Spectrom. (2012), 26, 2335–2342, doi: 10.1002/rcm.6354.