Publications

Chouinard Group Papers

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Dependency of fentanyl analogue protomer ratios on solvent conditions as measured by ion mobility-mass spectrometry

Dependency of fentanyl analogue protomer ratios on solvent conditions as measured by ion mobility-mass spectrometry Copeland R. Johnson, Heidi M. Sabatini, Ralph Aderorho, and Christopher D. Chouinard* J. Mass Spectrom. 2024, 59, 8, e5070 Publication Date: July 11, 2024 https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/full/10.1002/jms.5070 Recently, our group has shown that fentanyl and many of its analogues form prototropic isomers (“protomers”) during…

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SLIM-Based High-Resolution Ion Mobility Reveals New Structural Insights into Isomeric Vitamin D Metabolites and their Isotopologues

SLIM-Based High-Resolution Ion Mobility Reveals New Structural Insights into Isomeric Vitamin D Metabolites and their Isotopologues Selena Kingsley, Makenna Hoover, Terra Pettit-Bacovin, Anna Rose Sawyer, and Christopher D. Chouinard* J. Amer. Soc. Mass Spectrom. 2024, 35, 11, 2650-2658 Publication Date: May 6, 2024 https://pubs.acs.org/doi/full/10.1021/jasms.4c00116 Testing for vitamin D deficiency remains a high-volume clinical assay, much of which…

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Rapid differentiation of xylazine metabolites using SLIM IM-MS

Rapid differentiation of xylazine metabolites using SLIM IM-MS Ralph Aderorho, Shadrack Wilson Lucas, and Christopher D. Chouinard* Anal. Methods. 2024, 16, 4041-4044 Publication Date: June 5, 2024 https://pubs.rsc.org/en/content/articlehtml/2024/ay/d4ay00801d Xylazine represents an increased threat to the recreational drug market. In this study, we present a rapid strategy for identifying xylazine and differentiating its common isomeric metabolites using Structures…

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cannabinoid paper

Separation and Characterization of Synthetic Cannabinoid Metabolite Isomers Using SLIM High-Resolution Ion Mobility-Tandem Mass Spectrometry (HRIM-MS/MS)

Separation and Characterization of Synthetic Cannabinoid Metabolite Isomers Using SLIM High-Resolution Ion Mobility-Tandem Mass Spectrometry (HRIM-MS/MS) Ralph Aderorho, Shadrack Wilson Lucas, and Christopher D. Chouinard* J. Am. Soc. Mass Spectrom. 2024, 35, 3, 582–589 Publication Date: February 15, 2024 https://doi.org/10.1021/jasms.3c00419 Synthetic cannabinoids, a subclass of new psychoactive substances (NPS), are laboratory-made substances that are chemically similar to…

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Determining protonation site in fentanyl protomers using ion mobility-aligned MS/MS fragmentation

Determining protonation site in fentanyl protomers using ion mobility-aligned MS/MS fragmentation Ralph Aderorho and Christopher D. Chouinard Int. J. Mass Spectrom. 2024, 496, 117185 Publication Date: December 14, 2023 Drug overdoses in the United States totalled over 100,000 in 2022, with an estimated 68 % of those being attributed to illicitly manufactured fentanyls (IMFs). Their ease and low…

Read more
d3an01680c f1 hi res

The role of solvation on the conformational landscape of α-synuclein

The role of solvation on the conformational landscape of α-synuclein Melanie Cheung See Kit, Tyler C. Cropley, Christian Bleiholder, Christopher D. Chouinard, Frank Sobott, and Ian K. Webb* Analyst. 2024, 149, 125-136. Publication Date: November 17, 2023 Native ion mobility mass spectrometry has been used extensively to characterize ensembles of intrinsically disordered protein (IDP) conformers, but…

Read more
Screenshot 2024 04 08 162738

Improved analysis of derivatized steroid hormone isomers using ion mobility-mass spectrometry (IM-MS)

Improved analysis of derivatized steroid hormone isomers using ion mobility-mass spectrometry (IM-MS) Shon P. Neal, Walker N. Hodges, Diana C. Velosa, Ralph Aderorho, Shadrack Wilson Lucas, and Christopher D. Chouinard* Anal. Bioanal. Chem. 2023, 415, 6757-6769. Publication Date: September 23, 2023 Over the last decade, applications of ion mobility-mass spectrometry (IM-MS) have exploded due primarily to…

Read more
dta3550 fig 0002 m

Improved separation of fentanyl isomers using metal cation adducts and high-resolution ion mobility-mass spectrometry

Improved separation of fentanyl isomers using metal cation adducts and high-resolution ion mobility-mass spectrometry Ralph Aderorho, and Christopher D. Chouinard* Drug Test. Anal. 2023, 16(4), 369-379. Publication Date: July 25, 2023 https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/full/10.1002/dta.3550 Fentanyl is a potent synthetic opioid that has attracted significant attention due to its illegal production and distribution, resulting in misuse, overdose, and fatalities.…

Read more
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Development of a Rapid, Targeted LC-IM-MS Method for Anabolic Steroids

Development of a Rapid, Targeted LC-IM-MS Method for Anabolic Steroids Ashlee Wedge, Makenna Hoover, Terra Pettit-Bacovin, Ralph Aderorho, Emmaleigh Efird, and Christopher D. Chouinard* J. Am. Soc. Mass Spectrom. 2023, 34, 8, 1708-1714 Publication Date: June 30, 2023 https://doi.org/10.1021/jasms.3c00162 Anabolic steroids are of high biological interest due to their involvement in human development and disease progression.…

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Collaborative Papers

asms winter 2

Heidi Presents at ASMS Winter Conference on Microbial Sciences

Advancing Metabolomic Characterization of Eukaryotic Pathogenic Systems: A Focus on High-Resolution Ion Mobility Separation of Lipid Isomers Heidi M. Sabatini, Christopher D. Chouinard Metabolomics provides a powerful lens for understanding eukaryotic pathogens by revealing small-molecule networks that drive infection, adaptation, and host interactions. These signatures can uncover virulence mechanisms, drug targets, and biomarkers not evident…

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Chemistry exhibit at Clemson showcases historic instruments that drive modern innovation

Mass spectrometry is a powerful analytical tool that provides detailed molecular information with high sensitivity and specificity. It is essential to modern forensics, pharmaceutical analysis, space exploration and more. A new exhibit highlighting the development of mass spectrometry commissioned by the American Society for Mass Spectrometry will be on display at Clemson University until next…

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Agilent 6560 Ion Mobility QTOF LC-MS

The Agilent 6560 is a drift tube ion mobility (DTIM)-enabled QTOF system that allows simultaneous measurement of ion mobility/collision cross section (CCS), high resolution accurate mass, and tandem mass spectrometry. The DTIM separates ions based on differences in size, shape, and charge and is primarily used in our lab to rapidly (<60 milliseconds) separate structurally…

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jms5070 fig 0001 m

Dependency of fentanyl analogue protomer ratios on solvent conditions as measured by ion mobility-mass spectrometry

Dependency of fentanyl analogue protomer ratios on solvent conditions as measured by ion mobility-mass spectrometry Copeland R. Johnson, Heidi M. Sabatini, Ralph Aderorho, and Christopher D. Chouinard* J. Mass Spectrom. 2024, 59, 8, e5070 Publication Date: July 11, 2024 https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/full/10.1002/jms.5070 Recently, our group has shown that fentanyl and many of its analogues form prototropic isomers (“protomers”) during…

Read more
images large js4c00116 0006

SLIM-Based High-Resolution Ion Mobility Reveals New Structural Insights into Isomeric Vitamin D Metabolites and their Isotopologues

SLIM-Based High-Resolution Ion Mobility Reveals New Structural Insights into Isomeric Vitamin D Metabolites and their Isotopologues Selena Kingsley, Makenna Hoover, Terra Pettit-Bacovin, Anna Rose Sawyer, and Christopher D. Chouinard* J. Amer. Soc. Mass Spectrom. 2024, 35, 11, 2650-2658 Publication Date: May 6, 2024 https://pubs.acs.org/doi/full/10.1021/jasms.4c00116 Testing for vitamin D deficiency remains a high-volume clinical assay, much of which…

Read more
d4ay00801d f1 hi res

Rapid differentiation of xylazine metabolites using SLIM IM-MS

Rapid differentiation of xylazine metabolites using SLIM IM-MS Ralph Aderorho, Shadrack Wilson Lucas, and Christopher D. Chouinard* Anal. Methods. 2024, 16, 4041-4044 Publication Date: June 5, 2024 https://pubs.rsc.org/en/content/articlehtml/2024/ay/d4ay00801d Xylazine represents an increased threat to the recreational drug market. In this study, we present a rapid strategy for identifying xylazine and differentiating its common isomeric metabolites using Structures…

Read more
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“Improving Steroid Detection Using Ion Mobility-Mass Spectrometry” – Our Work Featured by Partnership for Clean Competition

To gain an unfair advantage over competitors, some athletes may resort to sophisticated performance-enhancing drugs that are marketed as “undetectable” in drug tests. However, recent PCC-funded research may soon put the brakes on this behavior with the introduction of methods for anti-doping testing that can detect designer steroids that were previously very difficult or impossible…

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New Instrument! Low Mass MOBIE System Installed

This week, MOBILion installed its new low mass-enabled MOBIE system in our lab. Among its technological innovations, this SLIM system includes rounded turns based on recent work that will increase transmission efficiency for low mass ions. We are excited to use it for drug and metabolite studies. Looking forward to the new opportunities this can open…

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Development of a cyclic ion mobility spectrometry-mass spectrometry-based collision cross-section database of permethylated human milk oligosaccharides

Development of a cyclic ion mobility spectrometry-mass spectrometry-based collision cross-section database of permethylated human milk oligosaccharides Sanaz C. Habibi, Victoria R. Bradford, Sophie C. Baird, Shadrack Wilson Lucas, Christopher D. Chouinard, and Gabe Nagy* J. Mass Spectrom. 2024, 59, 8, e5076 Publication Date: July 23, 2024 https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/full/10.1002/jms.5076 Human milk oligosaccharides (HMOs) are an important class of biomolecules…

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Three Undergrads Honored at Chemistry Departmental Awards Ceremony

Three Undergrads Honored at Chemistry Departmental Awards Ceremony On Friday, April 12th, the Clemson Chemistry Department hosted its annual Honors and Awards Event. The Chouinard Group was well represented, with three undergrad students taking home well-deserved awards! Undergraduate Awards in Analytical Chemistry: Copeland Johnson Chemistry Faculty Award: Walker Hodges Warwick Chemical Foundation Award in Chemistry: Breland Jones Congratulations…

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IM-MS Measurement of Anabolic Steroids and Other Performance-Enhancing Drugs for Anti-Doping Applications

Mass spectrometry has been the technique of choice in anti-doping labs since the Los Angeles Olympic Games in 1984. Since then, a combination of targeted tandem mass spectrometry and high-resolution techniques have been used to quantify and identify anabolic steroids and other performance-enhancing drugs, respectively. Recently, the promise of ion mobility-mass spectrometry (IM-MS) has been…

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Walker Hodges Named College of Science “Outstanding Undergraduate in Discovery”

Walker Hodges Named College of Science “Outstanding Undergraduate in Discovery” Walker Hodges, a chemistry major in the Chouinard Research Group, has established himself as a leader in the reactions subgroup performing reactions on different isomeric compounds. One application of this research is to help provide analysis for organizations like the World Anti-Doping Agency to prevent…

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Chemical Reactions and Noncovalent Complexes as Ion Mobility ‘Shift Reagents’

Where the resolving power of IM-MS techniques is insufficient to differentiate challenging isomers, various chemical approaches have been used to alter their mobility with the goal of better separations. We are primarily focused on simple, fast, and inexpensive reactions targeting common steroid functional groups. Thus far, we have published on reactions with ozone, simple carbonyls…

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Detection of New Psychoactive Substances (NPS) and Other Illicit Drugs

New psychoactive substances (NPS) are a broad class of illicit drugs that pose a significant public health threat. Our group is developing novel ion mobility-mass spectrometry (IM-MS) methods and technology for their detection.   Representative Papers: Separation and Characterization of Synthetic Cannabinoid Metabolite Isomers Using SLIM High-Resolution Ion Mobility-Tandem Mass Spectrometry (HRIM-MS/MS) Improved separation of…

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cannabinoid paper

Separation and Characterization of Synthetic Cannabinoid Metabolite Isomers Using SLIM High-Resolution Ion Mobility-Tandem Mass Spectrometry (HRIM-MS/MS)

Separation and Characterization of Synthetic Cannabinoid Metabolite Isomers Using SLIM High-Resolution Ion Mobility-Tandem Mass Spectrometry (HRIM-MS/MS) Ralph Aderorho, Shadrack Wilson Lucas, and Christopher D. Chouinard* J. Am. Soc. Mass Spectrom. 2024, 35, 3, 582–589 Publication Date: February 15, 2024 https://doi.org/10.1021/jasms.3c00419 Synthetic cannabinoids, a subclass of new psychoactive substances (NPS), are laboratory-made substances that are chemically similar to…

Read more
1 s2.0 S1387380623001768 ga1 lrg

Determining protonation site in fentanyl protomers using ion mobility-aligned MS/MS fragmentation

Determining protonation site in fentanyl protomers using ion mobility-aligned MS/MS fragmentation Ralph Aderorho and Christopher D. Chouinard Int. J. Mass Spectrom. 2024, 496, 117185 Publication Date: December 14, 2023 Drug overdoses in the United States totalled over 100,000 in 2022, with an estimated 68 % of those being attributed to illicitly manufactured fentanyls (IMFs). Their ease and low…

Read more
d3an01680c f1 hi res

The role of solvation on the conformational landscape of α-synuclein

The role of solvation on the conformational landscape of α-synuclein Melanie Cheung See Kit, Tyler C. Cropley, Christian Bleiholder, Christopher D. Chouinard, Frank Sobott, and Ian K. Webb* Analyst. 2024, 149, 125-136. Publication Date: November 17, 2023 Native ion mobility mass spectrometry has been used extensively to characterize ensembles of intrinsically disordered protein (IDP) conformers, but…

Read more
Screenshot 2024 04 08 162738

Improved analysis of derivatized steroid hormone isomers using ion mobility-mass spectrometry (IM-MS)

Improved analysis of derivatized steroid hormone isomers using ion mobility-mass spectrometry (IM-MS) Shon P. Neal, Walker N. Hodges, Diana C. Velosa, Ralph Aderorho, Shadrack Wilson Lucas, and Christopher D. Chouinard* Anal. Bioanal. Chem. 2023, 415, 6757-6769. Publication Date: September 23, 2023 Over the last decade, applications of ion mobility-mass spectrometry (IM-MS) have exploded due primarily to…

Read more
dta3550 fig 0002 m

Improved separation of fentanyl isomers using metal cation adducts and high-resolution ion mobility-mass spectrometry

Improved separation of fentanyl isomers using metal cation adducts and high-resolution ion mobility-mass spectrometry Ralph Aderorho, and Christopher D. Chouinard* Drug Test. Anal. 2023, 16(4), 369-379. Publication Date: July 25, 2023 https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/full/10.1002/dta.3550 Fentanyl is a potent synthetic opioid that has attracted significant attention due to its illegal production and distribution, resulting in misuse, overdose, and fatalities.…

Read more
images medium js3c00162 0007

Development of a Rapid, Targeted LC-IM-MS Method for Anabolic Steroids

Development of a Rapid, Targeted LC-IM-MS Method for Anabolic Steroids Ashlee Wedge, Makenna Hoover, Terra Pettit-Bacovin, Ralph Aderorho, Emmaleigh Efird, and Christopher D. Chouinard* J. Am. Soc. Mass Spectrom. 2023, 34, 8, 1708-1714 Publication Date: June 30, 2023 https://doi.org/10.1021/jasms.3c00162 Anabolic steroids are of high biological interest due to their involvement in human development and disease progression.…

Read more