Recent Publications

(2016-present)

“Baseline correction method for dynamic pressure gradient modulated comprehensive two-dimensional gas chromatography with flame ionization detection”, L.N. Mikaliunaite, C.N. Cain, P.E. Sudol, R.E. Synovec, J. Chromatogr. A, 2021, 1652, 462358
https://doi.org/10.1016/j.chroma.2021.462358

“Determination of the signal-to-noise ratio enhancement in comprehensive three-dimensional gas chromatography”, T.J. Trinklein, C.G. Warren, R.E. Synovec, Anal. Chem., 2021, 93, 8526-8535
https://10.1021/acs.analchem.1c0119

“Development of variance rank initiated-unsupervised sample indexing for gas chromatography-mass spectrometry analysis”, C.N. Cain#, P.E. Sudol#, K.L. Berrier#, R.E. Synovec, Talanta, 2021, 233, 462092
https://doi.org/10.1016/j.talanta.2021.122495

“Investigation of the Limit of Discovery using Tile-based Fisher Ratio Analysis with Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometry,” P. E. Sudol, G. S. Ochoa, R. E. Synovec, J. Chromatogr. A, 2021, 1644, 462092
https://doi.org/10.1016/j.chroma.2021.462092

“Non-targeted Discovery of Class-Distinguishing Metabolites in Argentinian Pacu Fish by Comprehensive Two-Dimensional Gas Chromatography with Principal Component Analysis,” C. Monzòn, S. Schöneich, R. E. Synovec, Microchem. J., 2021, 164, 106004. https://doi.org/10.1016/j.microc.2021.106004.

“Analytical Determination of the Severity of Potato Taste Defect in Roasted East African Arabica Coffee,” C. N. Cain, N. J. Haughn, H. J. Purcell, L. C. Marney, R. E. Synovec, C. T. Thoumsin, S. C. Jackels, K. J. Skogerboe, J. Agric. Food Chem., accepted 2021. https://dx.doi.org/10.1021/acs.jafc.1c00605.

“Control-Normalized Fisher Ratio Analysis of Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometry Data for Enhanced Biomarker Discovery in a Metabolomic Study of Orthopedic Knee-Ligament Injury,” S. E. Prebihalo, G. S. Ochoa, K. L. Berrier, K. J. Skogerboe, K. L. Cameron, J. R. Trump, S. J. Svoboda, J. K. Wickiser, R. E. Synovec, Anal. Chem., 2020, 92, 15526-15533. https://doi.org/10.1021/acs.analchem.0c03456.

“Total-Transfer Comprehensive Three-Dimensional Gas Chromatography with Time-of-Flight Mass Spectrometry,” T. J. Trinklein, S. Schöneich, P. E. Sudol, C. G. Warren, D. V. Gough, R. E. Synovec, J. Chromatogr. A, 2020, 1634, 461654. https://doi.org/10.1016/j.chroma.2020.461654.

“A Systematic Investigation of Comprehensive Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometry with Dynamic Pressure Gradient Modulation for High Peak Capacity Separations,” S. Schöneich#, T. J. Trinklein#, C. G. Warren, R. E. Synovec, Anal. Chim. Acta, 2020, 1134, 115-124. https://doi.org/10.1016/j.aca.2020.08.023.

“Development of Gas Chromatographic Pattern Recognition and Classification Tools for Compliance and Forensic Analyses of Fuels: A Review,” P. E. Sudol, K. M. Pierce, S. E. Prebihalo, K. J. Skogerboe, B. W. Wright, R. E. Synovec, Anal. Chim. Acta, 2020, 1132, 157-186. https://doi.org/10.1016/j.aca.2020.07.027.

“Development of an Enhanced Total Ion Current Chromatogram Algorithm to Improve Untargeted Peak Detection,” C. N. Cain, S. Schöneich, R. E. Synovec, Anal. Chem., 2020, 92, 11365-11373. https://doi.org/10.1021/acs.analchem.0c02136.

“Statistical Inference of Mass Channel Purity from Fisher Ratio Analysis using Comprehensive Two-Dimensional Gas Chromatography with Time of Flight Mass Spectrometry Data,” G. S. Ochoa#, S. E. Prebihalo#, B. C. Reaser, L. C. Marney, R. E. Synovec, J. Chromatogr. A, 2020, 1627, 461401. https://doi.org/10.1016/j.chroma.2020.461401.

“Discovery-based Analysis and Quantification for Comprehensive Three-Dimensional Gas Chromatography Flame Ionization Detection Data,” T. J. Trinklein#, S. E. Prebihalo#, C. G. Warren, G. S. Ochoa, R. E. Synovec, J. Chromatogr. A, 2020, 1623, 461190. https://doi.org/10.1016/j.chroma.2020.461190.

“Predictive Modeling of Aerospace Fuel Properties using GC×GC-TOFMS and Partial Least Squares Analysis,” K. L. Berrier#, C. E. Freye#, M. C. Billingsley, R. E. Synovec, Energy Fuels, 2020, 34, 4084-4094. https://doi.org/10.1021/acs.energyfuels.9b04108.

“Dynamic Pressure Gradient Modulation for Comprehensive Two-Dimensional Gas Chromatography with Time-of-Flight Mass Spectrometry Detection,” S. Schöneich, D. V. Gough, T. J. Trinklein, R. E. Synovec, J. Chromatogr. A, 2020, 1620, 460982. https://doi.org/10.1016/j.chroma.2020.460982.

“Chemometric Decomposition of GC×GC-TOFMS Data employing Partial Modulation in the Negative Pulse Mode,” D. V. Gough#, S. Schöneich#, R. E. Synovec, Talanta, 2020, 210, 120670. https://doi.org/10.1016/j.talanta.2019.120670.

“Dynamic Pressure Gradient Modulation for Comprehensive Two-Dimensional Gas Chromatography,” T. J. Trinklein, D. V. Gough, C. G. Warren, G. S. Ochoa, R. E. Synovec, J. Chromatogr. A, 2020, 1609, 460488. https://doi.org/10.1016/j.chroma.2019.460488.

“Impact of Data Bin Size on the Classification of Diesel Fuels using GC×GC with Principal Component Analysis,” P. E.  Sudol, D. V. Gough, S. E. Prebihalo, R. E. Synovec, Talanta, 2020, 206,120239. https://doi.org/10.1016/j.talanta.2019.120239.

“Advanced Data Handling in GC×GC,” Kelsey L. Berrier, Sarah E. Prebihalo, Robert E. Synovec, in Basic Multidimensional Gas Chromatography – Elsevier – Editor: N. Snow, 2020, Ch. 7, pp. 229-268, ISBN: 978-0-12-813745-1. Invited Book Chapter

“Management and Interpretation of Capillary Chromatography-Mass Spectrometry Data,” B. C. Reaser, N. E. Watson, S. E. Prebihalo, David K. Pinkerton, K. J. Skogerboe, R. E. Synovec, in Hyphenations of Capillary Chromatography with Mass Spectrometry – Elsevier – Editors: P. Q. Tranchida and L. Mondello, 2020, Ch. 5, pp. 449-480, ISBN: 978-0-12-809638-3. Invited Book Chapter

 “Improvements to GC×GC-TOFMS Composition-Based Models for Hydrocarbon Fuel Thermal Integrity,” R.E. Synovec, K.L. Berrier, C.E. Freye, M.C. Billingsley, N.  Keim, B. Hill-Lam and A. Bishop,Government Restricted Conference Proceeding, 67th JANNAF Propulsion Meeting, Tampa, FL, December 2019. Invited Contribution

“Impact of GC×GC-TOFMS Experimental Design on Data Trilinearity and Parallel Factor Analysis Deconvolution,” S. E. Prebihalo, D. K. Pinkerton, R. E. Synovec, J. Chromatogr. A, 2019, 1605, 460368. https://doi.org/10.1016/j.chroma.2019.460368.

“Examination of the Two-Dimensional Mass Channel Cluster Plot Method for Gas Chromatography – Mass Spectrometry in the Context of the Statistical Model of Overlap,” K. L. Berrier, B. C. Reaser, D. K. Pinkerton, R. E. Synovec, J. Chromatogr. A, 2019, 1601, 319-326. https://doi.org/10.1016/j.chroma.2019.05.005.

“Development of Ultrafast Separations Using Negative Pulse Partial Modulation to Enable New Directions in Gas Chromatography,” D. V. Gough, D. H. Song, S. Schöneich, S. E. Prebihalo, R. E. Synovec, Anal. Chem., 2019, 91, 7328-7335. https://doi.org/10.1021/acs.analchem.9b01085.

“Metabolite Profiles Discriminate Between ACL Injured Cases and Uninjured Controls within the First Year Following Injury and Surgery,” K.L. Cameron, J.R. Trump, S.E. Prebihalo, S.J. Svoboda, J. Wickiser, R.E. Synovec, Oseoarthritis and Cartilage, 2019, 27(1), S288-S289.

“Gaining a Fundamental Understanding of Fuel Performance through Advanced Chemical Composition Measurements,” R.E. Synovec, K.L. Berrier, C.E. Freye, S.E. Prebihalo, M.C. Billingsley, N. Keim, B. Hill-Lam, A. Bishop, Government Restricted Conference Proceeding, 66th JANNAF Propulsion Meeting, Dayton, OH, June 2019. Invited Contribution

“Recent Advances in Modulator Technology for Comprehensive Two-Dimensional Gas Chromatography,” H. D. Bahaghighat, C. E. Freye, R. E. Synovec, TrAC, 2019, 113, 379-391. https://doi.org/10.1016/j.trac.2018.04.016.

“Column Selection Approach to Achieve a High Peak Capacity in Comprehensive Three-Dimensional Gas Chromatography,” D. V. Gough, H. D. Bahaghighat, R. E. Synovec, Talanta, 2019, 195, 822-829. https://doi.org/10.1016/j.talanta.2018.12.007.

“GC×GC-TOFMS with a 50 ms Modulation Period,” H.D. Bahaghighat, C.E. Freye, D.V. Gough, R.E. Synovec, J. Chromatogr. A, 2019, 1583, 117-123. https://doi.org/10.1016/j.chroma.2018.11.027.

 “Recent Advances in Relating the Chemical Compositional Variation in RP-1, RP-2, and Similar Fuels to Thermal Integrity Data,” R.E. Synovec, C.E. Freye, M.C.  Billingsley, N. Keim, B. Hill-Lam and A. Bishop, Government Restricted Conference Proceeding, 65th JANNAF Propulsion Meeting, Long Beach, CA, May 2018. Invited Contribution

“Ultrafast Separations via Pulse Flow Valve Modulation to Enable High Peak Capacity Multidimensional Gas Chromatography,” H.D. Bahaghighat, C.E. Freye, D.V. Gough, P.E. Sudol, R.E. Synovec, J. Chromatogr. A, 2018, 1573, 115-124.

“Enhancing the Chemical Selectivity in Discovery-based Analysis with Tandem Ionization Time-of-Flight Mass Spectrometry Detection for Comprehensive Two-Dimensional Gas Chromatography,” C. E. Freye, N. R. Moore, R. E. Synovec, J. Chromatogr. A, 2018, 1537, 99-108.   

“Implications of Phase Ratio for Maximizing Peak Capacity in GC×GC-TOFMS,” B. A. Parsons, D. K. Pinkerton, R. E. Synovec, J. Chromatogr. A, 2018, 1536, 16-26.

“Comprehensive Two-Dimensional Gas Chromatography using Partial Modulation via a Pulsed Flow Valve with a Short Modulation Period,” C. E. Freye, H. D. Bahaghighat, R. E. Synovec, Talanta, 2018, 177, 142-149. Invited Special Issue honoring Gary Christian

“Multidimensional Gas Chromatography: Advances in Instrumentation, Chemometrics, and Applications,” S. E. Prebihalo, K. L. Berrier, C. E. Freye, H. D. Bahaghighat, N. R. Moore, D. K. Pinkerton, R. E. Synovec, Anal. Chem., 2018, 90, 505-532. Invited Review

“Determining the Probability of Achieving a Successful Quantitative Analysis for Gas Chromatography Mass Spectrometry,” D. K. Pinkerton, B. C. Reaser, K. L. Berrier, R. E. Synovec, Anal. Chem., 2017, 89, 9926-9933.

“Targeted Analyte Deconvolution and Identification by Four-Way Parallel Factor Analysis Using Three-Dimensional Gas Chromatography with Mass Spectrometry Data,” N. E. Watson, Sarah E. Prebihalo, R. E. Synovec, Anal. Chim. Acta, 2017, 983, 67-75.

“Using Receiver Operating Characteristic Curves to Optimize Discovery-Based Software with GC×GC-TOFMS,” B. C. Reaser, B. W. Wright, R. E. Synovec, Anal. Chem., 2017, 89, 3606-3612.

“Comprehensive Three-Dimensional Gas Chromatography with Time-of-Flight Mass Spectrometry,” N. E. Watson, H. D. Bahaghighat, K. Cui, R. E. Synovec, Anal. Chem., 2017, 89, 1793-1800.

“Recent Advances in the Development of Chemical Analysis Tools to Relate Compositional Variation to Thermal Integrity Data for RP-1, RP-2, and Related Fuels,” R. E. Synovec, C. E. Freye, M. C. Billingsley, N. Keim, B. Hill-Lam, Government Restricted Conference Proceeding, 9th JANNAF Liquid Propulsion Subcommittee Meeting, Phoenix, AZ, December 2016. Invited Contribution

“Method to Determine the True Modulation Ratio for GC×GC,” D. K. Pinkerton, B. A. Parsons, R. E. Synovec, J. Chromatogr. A, 2016, 1476, 114-123.

“High Temperature Diaphragm Valve-based GC×GC-TOFMS,” C. E. Freye, R. E. Synovec, Talanta, 2016, 161, 675-680.

“Performance Evaluation of Tile-based Fisher Ratio Analysis using a Benchmark Yeast Metabolome Dataset,” N. E. Watson, B. A. Parsons, R. E. Synovec, J. Chromatogr. A, 2016, 1459, 101-111.

“Partial Least Squares Analysis of Rocket Propulsion Fuel Data using Diaphragm Valve-based GC×GC coupled with Flame Ionization Detection,” C. E. Freye, B. D. Fitz, M. C. Billingsley, R. E. Synovec, Talanta, 2016, 153, 203-210.

“Deconvolution of Complex Higher Order Chromatographic Data with Spectral Detection,” D. K. Pinkerton, K. M. Pierce and R. E. Synovec, in Data Handling in Science and Technology – Elsevier – Editors: B. Walczak, S. Rutan – Volume: 30

 Resolving the spectral mixture problem. With applications in advanced spectroscopy  (from ultrafast time-resolved spectroscopy to superresolution imaging), Editor: C. Ruckebusch, 2016, Chapter 10, pp. 333-352. Invited Book Chapter

“Chemical Characterization of the Acid Alteration of Diesel Fuel: Non-Targeted Analysis by GC×GC-TOFMS with Tile-Based Fisher Ratio and Combinatorial Threshold Determination,” B. A. Parsons, D. K. Pinkerton, B. W. Wright, R. E. Synovec, J. Chromatogr. A, 2016, 1440, 179-190.

“Extension of the Two-Dimensional Mass Channel Cluster Plot Method to Fast Separations Utilizing Low Thermal Mass GG-TOFMS, B. D. Fitz, R. E. Synovec, Anal. Chim. Acta, 2016, 913, 160-170.

“Non-Targeted Determination of C-13-Labeling in the Methylobacterium extorquens  AM1 Metabolome using the Two-Dimensional Mass Cluster Method and Principal Component Analysis,” B. C. Reaser, S. Yang, B. D. Fitz, B. A. Parsons, M. E. Lidstrom, R. E. Synovec, J. Chromatogr. A, 2016, 1432, 111-121.