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2024
Sobus, J., K. Phillips, J. Grossman, A. Chao, A. Williams, C. Grulke, A. Richard, A. McEachran, AND E. Ulrich. Cross-Laboratory Comparison of Non-Targeted Analysis Method Performance using Complex Synthetic Mixtures (GC-Orbitrap Users Group). GC-Orbitrap Users Group, Virtual, NC, March 05, 2024. https://doi.org/10.23645/epacomptox.25447045
Chao, A., J. Minucci, M. Boyce, T. Cathey, T. Ferland, N. Sayre-Smith, E. Carr, G. Janesch, S. Purucker, D. Smith, A. Rashid, A. Williams, AND J. Sobus. EPA’s Non-Targeted Analysis WebApp: A web-based software tool for production-level NTA. EPA-RTP, Durham, NC, January 30 - 31, 2024. https://doi.org/10.23645/epacomptox.25438639
Pu, S., J. McCord, J. Bangma, AND J. Sobus. Establishing performance metrics for quantitative non-targeted analysis: a demonstration using per- and polyfluoroalkyl substances. Analytical and Bioanalytical Chemistry. Springer, New York, NY, 416:1249-1267, (2024). https://doi.org/10.1007/s00216-023-05117-4
Chang, D., J. Cowden, S. Davidson-Fritz, J. Dean, M. Devito, L. Everett, A. Harrill, S. Hester, M. Hughes, J. Lambert, L. Lizarraga, R. Mezencev, G. Patlewicz, R. Thomas, L. Wehmas, K. Vitense, S. Auerbach, W. Casey, R. Sams, S. Hunter, J. Bucher, T. Buckley, P. Egeghy, K. Paul-Friedman, J. Harrill, K. Isaacs, R. Judson, J. Kaiser, S. Masten, F. Parham, D. Petersen, A. Phillips, J. Sobus, Dan Villeneuve, P. White, A. Williams, G. Woodall, AND J. Zhao. Scientific Studies Supporting Development of Transcriptomic Points of Departure for EPA Transcriptomic Assessment Products (ETAPs). U.S. Environmental Protection Agency, Washington, DC, EPA/600/X-23/084, 2024. https://doi.org/10.23645/epacomptox.25365550
Brennan, A., D. Chang, J. Cowden, S. Davidson-Fritz, J. Dean, M. Devito, J. Ford, L. Everett, A. Harrill, S. Hester, M. Hughes, J. Lambert, L. Lizarraga, R. Mezencev, D. Macmillan, G. Patlewicz, K. Thayer, R. Thomas, K. Vitense, L. Wehmas, A. Renyer, S. Auerbach, W. Casey, R. Sams, S. Hunter, W. Cascio, K. Holt, S. Jones, R. Subramaniam, G. Rice, J. Bucher, T. Buckley, P. Egeghy, K. Paul-Friedman, J. Harrill, K. Isaacs, R. Judson, J. Kaiser, S. Masten, F. Parham, D. Petersen, A. Phillips, J. Sobus, Dan Villeneuve, P. White, A. Williams, G. Woodall, AND J. Zhao. Standard Methods for Development of EPA Transcriptomic Assessment Products (ETAPs). U.S. Environmental Protection Agency, Washington, DC, EPA/600/X-23/083, 2024. https://doi.org/10.23645/epacomptox.25365496
2023
Janesch, G., E. Carr, V. Samano, J. McCord, J. Bangma, J. Sobus, AND A. Williams. AMOS: the EPA database of analytical methods and open mass spectral database supporting non-targeted analysis. ACS, San Francisco, CA, August 13 - 17, 2023. https://doi.org/10.23645/epacomptox.23961105
Carr, E., G. Janesch, S. Sivasupramaniam, J. McCord, L. Roach, A. Chao, J. Sobus, AND A. Williams. Annotating and Visualizing a Database of Analytical Methods. SERMACS, Durham, NC, October 25 - 28, 2023. https://doi.org/10.23645/epacomptox.24790518
Sloop, J., A. Chao, J. Gundersen, A. Phillips, J. Sobus, E. Ulrich, A. Williams, S. Jackson, AND S. Newton. Applications of Non-Targeted Analysis for Rapid and Community Response. ISES, Chicago, IL, August 27 - 31, 2023. https://doi.org/10.23645/epacomptox.23902161
Bangma, J., A. Robuck, S. Pu, J. Boettger, J. McCord, J. Sobus, T. Guillette, K. Rock, AND S. Belcher. Biomonitoring of emerging PFAS in wildlife and domestic animals in North Carolina. 2023 SETAC North America Annual Meeting, Louisville, KY, November 12 - 16, 2023.
Williams, A., G. Janesch, E. Carr, C. Lowe, N. Charest, T. Martin, V. Tkachenko, A. Chao, J. Minucci, A. Rashid, AND J. Sobus. Cheminformatics tools and chemistry data underpinning mass spectrometry analyses at the US-EPA. SERMACS, Durham, NC, October 25 - 28, 2023. https://doi.org/10.23645/epacomptox.24520651
Sobus, J., K. Phillips, J. Grossman, A. Chao, A. Williams, C. Grulke, A. Richard, A. McEachran, AND E. Ulrich. Cross-Laboratory Comparison of Non-Targeted Analysis Method Performance using Complex Synthetic Mixtures. Pittcon, Philadelphia, PA, March 18 - 22, 2023. https://doi.org/10.23645/epacomptox.22294456
Buckley, T., P. Egeghy, K. Isaacs, A. Richard, C. Ring, R. Sayre, J. Sobus, R. Thomas, E. Ulrich, J. Wambaugh, AND A. Williams. Cutting-edge computational chemical exposure research at the U.S. Environmental Protection Agency. ENVIRONMENT INTERNATIONAL. Elsevier B.V., Amsterdam, Netherlands, 178:108097, (2023). https://doi.org/10.1016/j.envint.2023.108097
Sobus, J. Defining Best Practices for Non-Targeted Analysis to Support Environmental Exposomics. HHEAR, Virtual, NC, November 08, 2023. https://doi.org/10.23645/epacomptox.24794472
Sloop, J., A. Chao, J. Gundersen, A. Flynn, J. Sobus, E. Ulrich, A. Williams, AND S. Newton. Demonstrating the Use of Non-targeted Analysis for Identification of Unknown Chemicals in Rapid Response Scenarios. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 57(8):3075-3084, (2023). https://doi.org/10.1021/acs.est.2c06804
McCord, J., S. Nason, Y. Feng, J. Sobus, C. Fisher, R. Marfil-Vega, A. Flynn, J. Sloop, N. Keaton, AND S. Bayen. Developing Resources to Facilitate Expanded Application of Non-Targeted Analysis Methods. Association of Public Health Laboratories Annual Conference, Sacramento, CA, May 22 - 25, 2023.
Stanfield, Z., Woody Setzer, J. Sobus, AND J. Wambaugh. Developing a Predictive Model for Chemical Excretion in Urine (SOT 2023). SOT, Nashville, TN, March 19 - 23, 2023. https://doi.org/10.23645/epacomptox.22280641
Pu, S., J. McCord, AND J. Sobus. Development of a Semi-quantitative Non-Targeted Analysis Workflow for Emerging PFAS (SETAC EU). SETAC Europe 33rd Annual Meeting, NA, Dublin, IRELAND, April 30 - May 04, 2023.
Chao, A., J. Minucci, M. Boyce, T. Cathey, T. Ferland, E. Carr, G. Janesch, S. Purucker, D. Smith, A. Williams, AND J. Sobus. EPA’s Non-Targeted Analysis WebApp: Linking cheminformatics resources with NTA workflows. Cheminformatics Resources of U.S. Governmental Organizations, Silver Springs, MD, October 18 - 20, 2023. https://doi.org/10.23645/epacomptox.24382585
Chao, A., J. Minucci, M. Boyce, T. Cathey, T. Ferland, E. Carr, G. Janesch, S. Purucker, D. Smith, A. Williams, AND J. Sobus. EPA’s non-targeted analysis webapp: aligning web-based software tools with best practices for NTA. SERMACS, Durham, NC, October 25 - 28, 2023. https://doi.org/10.23645/epacomptox.24520603
Buckley, T., J. Sobus, J. McCord, J. Bangma, D. Macmillan, A. Williams, S. Urban, Y. Chai, S. Greene, K. Hanson, R. Rushing, E. Newman, W. Linck, E. Kalve, AND M. Small. Enabling State Adoption of Non-Targeted Analysis (NTA) to Address Pressing Public Health Needs: Maryland, Minnesota, and California Leading the Way (ISES 2023). ISES, Chicago, IL, August 27 - 31, 2023. https://doi.org/10.23645/epacomptox.23928921
Whitehead, H., J. Sobus, J. McCord, J. Bangma, D. Macmillan, A. Swank, T. Ferland, A. Chao, A. Williams, E. Carr, G. Janesch, S. Urban, Z. Cao, S. Muneem, Y. Chai, S. Greene, A. Dahlmeier, K. Hanson, R. Rushing, S. Saravia, E. Newman, W. Linck, E. Kalve, M. Small, AND T. Buckley. Enabling State Adoption of Non-Targeted Analysis (NTA) to Address Pressing Public Health Needs: Maryland, Minnesota, and California Leading the Way (SETAC 2023). SETAC, Louisville, KY, November 12 - 16, 2023. https://doi.org/10.23645/epacomptox.24794538
Isaacs, K., J. Sobus, C. Ring, J. Wambaugh, AND K. Phillips. Encoding Exposure Pathways as Hierarchical Binary Descriptors for Chemical Source Identification in Non-Targeted Analysis. SOT, Nashville, TN, March 19 - 23, 2023. https://doi.org/10.23645/epacomptox.22272214
Sayre-Smith, N., L. Brunelle, A. Batt, A. Chao, E. Carr, T. Cathey, J. McCord, J. Minucci, Tom Purucker, A. Rashid, D. Smith, A. Williams, D. Alvarez, E. Furlong, S. Glassmeyer, D. Kolpin, M. Mills, AND J. Sobus. Establishing QA/QC Protocols and Tools to Support Non-targeted Analyses of Environmental Matrices. ISES, Chicago, IL, August 27 - 31, 2023. https://doi.org/10.23645/epacomptox.23792595
Black, G., C. Lowe, T. Anumol, J. Bade, K. Favela, C. Fisher, Y. Feng, A. Knolhoff, A. McEachran, J. Nunez, K. Peter, N. Quinete, J. Sobus, E. Sussman, W. Watson, A. Williams, S. Wickramesekara, AND T. Young. Exploring chemical space in non-targeted analysis: a proposed ChemSpace tool. Analytical and Bioanalytical Chemistry. Springer, New York, NY, 415:35-44, (2023). https://doi.org/10.1007/s00216-022-04434-4
Isaacs, K., J. Sobus, S. Newton, J. Sloop, AND K. Phillips. Exposure pathway forensics for chemical source identification in non-targeted analysis. ISES, Chicago, IL, August 27 - 31, 2023. https://doi.org/10.23645/epacomptox.24001947
McEachran, A., T. Chutka, A. Chao, G. Janesch, E. Ulrich, J. Sobus, AND A. Williams. Generating MassBank-ready files from accurate mass library spectra: a proof-of-concept study. ASMS, Houston, TX, June 04 - 08, 2023. https://doi.org/10.23645/epacomptox.23527821
McEachran, A., T. Chutka, A. Chao, G. Janesch, E. Ulrich, J. Sobus, AND A. Williams. Generating MassBank-ready files from accurate mass library spectra: a proof-of-concept study (ACS 2023). ACS, San Francisco, CA, August 13 - 17, 2023. https://doi.org/10.23645/epacomptox.23958150
Boyce, M., K. Favela, J. Bonzo, A. Chao, L. Lizarraga, L. Moody, E. Owens, G. Patlewicz, I. Shah, J. Sobus, R. Thomas, A. Williams, A. Yau, AND J. Wambaugh. Identifying xenobiotic metabolites with in silico prediction tools and LCMS suspect screening analysis. Frontiers in Toxicology. Frontiers, Lausanne, Switzerland, 5:1051483, (2023). https://doi.org/10.3389/ftox.2023.1051483
Newmeyer, M., C. Lowe, G. Black, N. Charest, J. Sobus, A. Williams, AND C. Prasse. Implementing a chemical space mapping tool to improve interpretation of nontargeted analyses of biosolids: A proof-of-concept study. ACS, Indianapolis, IN, March 26 - 30, 2023. https://doi.org/10.23645/epacomptox.22266337
Dickman, R., S. Pu, N. Sayre-Smith, J. McCord, J. Sobus, AND D. Aga. Matrix Effects and Solubilities of PFAS in Environmental Matrices. LC-MS/MS, Buffalo, NY, September 24 - 25, 2023. https://doi.org/10.23645/epacomptox.24132756
Sobus, J. Proposal for an OECD Reporting Framework for Non-Targeted Analysis. OECD, Paris, FRANCE, June 29 - 30, 2023. https://doi.org/10.23645/epacomptox.23600484
Sayre-Smith, N., L. Brunelle, A. Batt, A. Chao, E. Carr, T. Cathey, J. McCord, J. Minucci, S. Purucker, A. Rashid, D. Smith, A. Williams, D. Alvarez, E. Furlong, S. Glassmeyer, D. Kolpin, M. Mills, AND J. Sobus. Quality assurance and quality control workflow for the non-targeted analysis of de facto water reuse. SERMACS, Durham, NC, October 25 - 28, 2023. https://doi.org/10.23645/epacomptox.24498436
Phillips, A., K. Peter, J. Sobus, C. Fisher, C. Manzano, A. McEachran, A. Williams, A. Knolhoff, AND E. Ulrich. Standardizing non-targeted analysis reporting to advance exposure science and environmental epidemiology. Journal of Exposure Science and Environmental Epidemiology . Nature Publishing Group, London, Uk, 33:501-504, (2023). https://doi.org/10.1038/s41370-022-00490-1
Ulrich, E., A. Chao, C. Lowe, J. Sloop, J. Sobus, AND H. Whitehead. Taming the wild west of NTA: advancement of tools & applications. LC-MS/MS Workshop, Buffalo, NY, September 24 - 25, 2023. https://doi.org/10.23645/epacomptox.24175221
Lowe, C., N. Charest, A. Edelman-Munoz, C. Ramsland, S. Pu, J. Sobus, AND A. Williams. The Chemical Space Tool: Mapping and Visualization to Characterize Chemical Spaces. SETAC, Louisville, KY, November 12 - 16, 2023. https://doi.org/10.23645/epacomptox.24539080
Chao, A., A. Williams, AND J. Sobus. Validation of Non-Targeted Analysis Methods: Establishing and Communicating Confidence in Results. NACRW, Fort Lauderdale, FL, July 25, 2023. https://doi.org/10.23645/epacomptox.23992545
Nason, S., Y. Feng, J. Sobus, C. Fisher, R. Marfil-Vega, A. Phillips, J. McCord, G. Johnson, J. Sloop, K. Nahan, S. Bayen, AND E. Mutlu. Working with stakeholders to determine high impact research directions for non-targeted analysis. ACS, San Fransisco, CA, August 13 - 17, 2023. https://doi.org/10.23645/epacomptox.23823510
2022
Phillips, A., A. Williams, J. Sobus, E. Ulrich, J. Gundersen, C. Miller, AND S. Newton. A Framework for Utilizing High-Resolution Mass Spectrometry and Non-Targeted Analysis in Rapid Response and Emergency Situations. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, 41(5):1117-1130, (2022). https://doi.org/10.1002/etc.5196
Wambaugh, J., K. Paul-Friedman, A. Harrill, K. Isaacs, T. Buckley, J. Cowden, C. Deisenroth, M. Devito, P. Egeghy, J. Harrill, S. Hunter, R. Judson, A. Richard, C. Ring, R. Sayre, Amar V. Singh, J. Sobus, E. Ulrich, B. Wetmore, A. Williams, AND R. Thomas. A Vision for Next Generation Risk Assessment at the U.S. Environmental Protection Agency. RISK-HUNT3R Face-to-Face Kickoff Meeting, Egmond aan Zee, NETHERLANDS, July 05 - 07, 2022. https://doi.org/10.23645/epacomptox.20498850
Isaacs, K., J. Wall, A. Williams, K. Hobbie, J. Sobus, E. Ulrich, D. Lyons, K. Dionisio, A. Williams, C. Grulke, C. Foster, J. McCoy, AND C. Bevington. A harmonized chemical monitoring database for support of exposure assessments. Scientific Data. Springer Nature, New York, NY, 9:314, (2022). https://doi.org/10.1038/s41597-022-01365-8
Lowe, C., G. Black, J. Sobus, AND A. Williams. Adapting and Adopting Cheminformatics Tools to Support Mapping Chemical Space Coverage in Non-Targeted Analysis. Fall ACS, Chicago, IL, August 21 - 25, 2022. https://doi.org/10.23645/epacomptox.20510751
Lowe, C., G. Black, J. Sobus, AND A. Williams. Adapting and adopting cheminformatics tools to support mapping chemical space coverage in non-targeted analysis (ACS). ACS, Chicago, IL, August 21 - 25, 2022. https://doi.org/10.23645/epacomptox.20993347
Fisher, C., K. Peter, S. Newton, A. Schaub, AND J. Sobus. Approaches for Assessing Performance of HRMS-based NTA Methods. NTA Focused Topic Meeting (SETAC), Durham, NC, May 22 - 26, 2022. https://doi.org/10.23645/epacomptox.19765696
Fisher, C., K. Peter, S. Newton, A. Schaub, AND J. Sobus. Approaches for Assessing Performance of High-Resolution Mass Spectrometry-Based Non-Targeted Analysis Methods. FDA and CDRH, Virtual, Virtual, February 14, 2022. https://doi.org/10.23645/epacomptox.19142048
Fisher, C., K. Peter, S. Newton, J. Sobus, AND A. Schaub. Approaches for Assessing Performance of High-Resolution Mass Spectrometry-Based Non-Targeted Analysis Methods (FDA). FDA, CDRH, and Others, Virtual, Virtual, February 23, 2022. https://doi.org/10.23645/epacomptox.19142048
Fisher, C., K. Peter, S. Newton, A. Schaub, AND J. Sobus. Approaches for assessing performance of high-resolution mass spectrometry–based non-targeted analysis methods. Analytical and Bioanalytical Chemistry. Springer, New York, NY, 414:6455-6471, (2022). https://doi.org/10.1007/s00216-022-04203-3
Feng, Y., J. Sobus, C. Fisher, R. Marfil-Vega, K. Pollitt, AND M. Newmeyer. Building Stakeholder Relationships to Facilitate Expanded Application of Non-Targeted Analysis Methods. Nontarget Analysis for Environmental Assessment, Durham, NC, May 22 - 26, 2022. https://doi.org/10.23645/epacomptox.20261196
Nason, S., Y. Feng, J. Sobus, C. Fisher, R. Marfil-Vega, K. Pollitt, AND M. Newmeyer. Building Stakeholder Relationships to Facilitate Expanded Application of Non-Targeted Analysis Methods (NEMC). National Environmental Monitoring Conference, Virtual, NC, August 01 - 05, 2022. https://doi.org/10.23645/epacomptox.20498901
Nason, S., Y. Feng, J. Sobus, C. Fisher, R. Marfil-Vega, K. Pollitt, AND M. Newmeyer. Building Stakeholder Relationships to Facilitate Expanded Application of Non-Targeted Analysis Methods. NTA Focused Topic Meeting, Durham, NC, May 22 - 26, 2022. https://doi.org/10.23645/epacomptox.19773388
Buckley, T., A. Biales, P. Egeghy, A. Richard, J. Sobus, E. Ulrich, K. Isaacs, J. Wambaugh, C. Ring, R. Sayre, Tom Purucker, A. Williams, AND R. Thomas. Defining the Cutting-Edge to the US EPA's Computational Exposure Science. ISES, Lisbon, PORTUGAL, September 25 - 29, 2022. https://doi.org/10.23645/epacomptox.21121363
Stanfield, Z., Woodrow Setzer, J. Sobus, AND J. Wambaugh. Developing a Predictive Model for Chemical Excretion in Urine. International Society of Exposure Science, Lisbon, N/A, PORTUGAL, September 25 - 29, 2022. https://doi.org/10.23645/epacomptox.21170926
Blum, D., M. Clifton, S. Newton, J. Sobus, AND E. Ulrich. Development of Non-targeted Analysis Methods on GC-HRMS for Silicone Wristbands used as Passive Samplers. SETAC NTA, Durham, NC, May 22 - 26, 2022. https://doi.org/10.23645/epacomptox.19775143
Pu, S., J. Sobus, AND J. McCord. Development of a Semi-Quantitative Non-Targeted Analysis Workflow for Emerging PFAS. SETAC North America, Pittsburgh, PA, November 13 - 17, 2022. https://doi.org/10.23645/epacomptox.21320562
Sobus, J. Enhancing Exposomics Research Through the Development, Evaluation, and Deployment of Non-Targeted Analysis Strategies and Tools. NIEHS Division of the National Toxicology Program (DNTP) Seminar, Virtual, Virtual, January 20, 2022. https://doi.org/10.23645/epacomptox.18736760
Sobus, J. Enhancing Exposomics Research Through the Development, Evaluation, and Deployment of Non-Targeted Analysis Strategies and Tools (NTA & EBM). NTA & EBM Coordination Team Meeting, Durham, NC, October 04, 2022. https://doi.org/10.23645/epacomptox.21232007
Groff, L., J. Grossman, A. Kruve, J. Minucci, C. Lowe, J. McCord, D. Kapraun, K. Phillips, Tom Purucker, A. Chao, C. Ring, A. Williams, AND J. Sobus. Estimating Uncertainty of Predicted Chemical Concentrations via Quantitative Non-Targeted Analysis. Fall ACS, Chicago, IL, August 21 - 25, 2022. https://doi.org/10.23645/epacomptox.19763524
Groff, L., J. Grossman, A. Kruve, J. Minucci, C. Lowe, J. McCord, D. Kapraun, K. Phillips, Tom Purucker, A. Chao, C. Ring, A. Williams, AND J. Sobus. Estimating Uncertainty of Predicted Chemical Concentrations via Quantitative Non-Targeted Analysis (SETAC NTA). SETAC NTA Focused Topic Meeting, Durham, NC, May 22 - 26, 2022. https://doi.org/10.23645/epacomptox.20503272
Boyce, M., K. Favela, A. Chao, G. Patlewicz, J. Sobus, A. Williams, AND J. Wambaugh. Identification of xenobiotic metabolites using in silico tools and non-targeted analysis. SETAC NTA, Durham, NC, May 22 - 26, 2022. https://doi.org/10.23645/epacomptox.19765840
Boyce, M., K. Favela, A. Chao, G. Patlewicz, J. Sobus, A. Williams, AND J. Wambaugh. Identification of xenobiotic metabolites using in silicotools and non-targeted analysis. Non-Target Analysis for Environmental Risk Assessment, Durham, NC, May 22 - 26, 2022. https://doi.org/10.23645/epacomptox.20216666
Chao, A., J. Grossman, C. Carberry, Y. Lai, A. Williams, J. Minucci, S. Purucker, J. Szilagyi, K. Lu, K. Boggess, R. Fry, J. Sobus, AND J. Rager. Integrative exposomic, transcriptomic, epigenomic analyses of human placental samples links understudied chemicals to preeclampsia. ENVIRONMENT INTERNATIONAL. Elsevier B.V., Amsterdam, Netherlands, 167:107385, (2022). https://doi.org/10.1016/j.envint.2022.107385
Black, G., C. Lowe, T. Anumol, J. Blade, K. Favela, C. Fisher, Y. Feng, A. Hood, A. Knolhoff, A. McEachran, J. Nunez, K. Peter, N. Quinete, J. Sobus, E. Sussman, W. Watson, A. Williams, AND S. Wickramesekara. Mapping Chemical Space Coverage in Non-Targeted Analysis. SETAC Non-Targeted Analysis Meeting, Durham, NC, May 22 - 25, 2022. https://doi.org/10.23645/epacomptox.20126375
Young, T., G. Black, C. Lowe, T. Anumol, J. Nunez, K. Favela, C. Fisher, Y. Feng, A. Hood, K. Peter, E. Sussman, N. Quinete, J. Sobus, W. Watson, A. Williams, AND S. Wickramesekara. Mapping Chemical Space in Non-Targeted Analysis. SETAC Focused Topic Meeting, Durham, NC, May 22 - 26, 2022. https://doi.org/10.23645/epacomptox.20126375
Chao, A., J. Minucci, M. Boyce, Tom Purucker, A. Williams, AND J. Sobus. Non-Targeted Analysis WebApp: A web-based tool for rapid chemical identification from nontargeted mass spectrometry data. American Chemical Society, San Diego, CA, March 20 - 24, 2022. https://doi.org/10.23645/epacomptox.19469360
Phillips, A., J. Sobus, K. Miller, AND A. Williams. Nontargeted Analysis Study Reporting Tool: A Framework to Improve Research Transparency and Reproducibility. NTA Focused Topic Meeting (SETAC), Durham, NC, May 22 - 26, 2022.
Lowe, C., K. Isaacs, A. McEachran, C. Grulke, J. Sobus, E. Ulrich, A. Richard, A. Chao, J. Wambaugh, AND A. Williams. Predicting Compound Amenability with Liquid Chromatography Mass Spectrometry to Improve Non-Targeted Analysis. NTA Focused Topic Meeting (SETAC), Durham, NC, May 22 - 26, 2022. https://doi.org/10.23645/epacomptox.19765663
Lowe, C., K. Isaacs, A. McEachran, C. Grulke, J. Sobus, E. Ulrich, A. Richard, A. Chao, J. Wambaugh, AND A. Williams. Predicting Compound Amenability with Liquid Chromatography Mass Spectrometry to Improve Non-targeted Analysis (Tropsha). UNC Tropsha, Chapel Hill, North Carolina, February 11, 2022. https://doi.org/10.23645/epacomptox.19149770
Eddy, L., K. Phillips, C. Ring, J. Sobus, E. Ulrich, AND K. Isaacs. Predictive Models for Chemical Occurrence in Environmental and Biological Media. Society of Toxicology, San Diego, CA, March 27 - 31, 2022. https://doi.org/10.23645/epacomptox.19404179
McCord, J., L. Groff, AND J. Sobus. Quantitative Non-Targeted Analysis: Bridging the Gap Between Contaminant Discovery and Risk Characterization. ENVIRONMENT INTERNATIONAL. Elsevier B.V., Amsterdam, Netherlands, 158:107011, (2021). https://doi.org/10.1016/j.envint.2021.107011
Sobus, J., L. Groff, AND J. McCord. Quantitative Non-Targeted Analysis: From Data to Decisions. SETAC NTA, Durham, NC, May 22 - 26, 2022. https://doi.org/10.23645/epacomptox.19775407
Sobus, J. AND L. Groff. Quantitative Non-Targeted Analysis: From Data to Decisions (BP4NTA). Benchmarking and Publications for Non-Targeted Analysis Working Group (BP4NTA) Monthly Webinar, RTP, NC, October 18, 2022. https://doi.org/10.23645/epacomptox.21355392
Sobus, J. Source and Use Information for Aiding Compound Identification in Non-Targeted Analysis (NTA) Studies. ACC-LRI QSUR Workshop, Durham, NC, November 02, 2022. https://doi.org/10.23645/epacomptox.21498027
Lowe, C., K. Phillips, J. Sobus, A. Yau, K. Favela, A. Pfirrman, J. Wambaugh, A. Williams, AND K. Isaacs. Suspect Screening Analysis of Recycled Consumer Products. SETAC NTA, Durham, NC, May 22 - 26, 2022. https://doi.org/10.23645/epacomptox.19763467
Isaacs, K., P. Egeghy, K. Dionisio, K. Phillips, A. Zidek, C. Ring, J. Sobus, E. Ulrich, B. Wetmore, A. Williams, AND J. Wambaugh. The Chemical Landscape of High-Throughput New Approach Methodologies for Exposure: Case Study Closeout. APCRA, Virtual, NC, November 10, 2022. https://doi.org/10.23645/epacomptox.21554454
Peter, K., A. Phillips, A. Knolhoff, P. Gardinali, C. Manzano, K. Miller, M. Pristner, L. Sabourin, M. Sumarah, B. Warth, AND J. Sobus. The Non-Targeted Analysis Study Reporting Tool (SRT): A Framework to Improve Research Transparency and Reproducibility. SETAC NTA, Durham, NC, May 22 - 26, 2022. https://doi.org/10.23645/epacomptox.19773538
Sloop, J., A. Chao, J. Gundersen, A. Phillips, J. Sobus, E. Ulrich, A. Williams, AND S. Newton. The Use of Non-Targeted Analysis for Rapid and Emergency Response: Demonstration Through Mock Scenarios. NTA Focused Topic Meeting, Durham, NC, May 23, 2022. https://doi.org/10.23645/epacomptox.19757662
Sloop, J., A. Chao, J. Gundersen, A. Phillips, J. Sobus, E. Ulrich, A. Williams, AND S. Newton. The Use of Non-Targeted Analysis for Rapid and Emergency Response: Demonstration Through Mock Scenarios. Communities of Practice, Online, NC, June 23, 2022. https://doi.org/10.23645/epacomptox.20085341
Isaacs, K., P. Egeghy, K. Dionisio, K. Phillips, A. Zidek, C. Ring, J. Sobus, E. Ulrich, B. Wetmore, A. Williams, AND J. Wambaugh. The chemical landscape of high-throughput new approach methodologies for exposure. Journal of Exposure Science and Environmental Epidemiology . Nature Publishing Group, London, Uk, 32:820-832, (2022). https://doi.org/10.1038/s41370-022-00496-9
Poeske, R., M. Small, S. Burden, J. Shoemaker, T. Buckley, J. McCord, H. Liberatore, E. Kalve, S. Goodrow, A. Delinsky, C. Davidson, J. Sobus, AND S. Paustain. Total PFAS Analysis for Public Health Protection: Science, Applications, Benefits and ChallengesWorkshop Proceedings. Total PFAS Analysis for Public Health Protection: Science, Applications, Benefits and Challenges, N/A, DC, October 27 - 28, 2021. U.S. EPA Office of Research and Development, Washington, DC, 2022.
Dickman, R., S. Pu, N. Sayre-Smith, J. McCord, J. Sobus, AND D. Aga. Towards Quantification Without Standards: Impacts of Environmental Matrices on the Solubilities and Ionization Efficiencies of Per- and Polyfluoroalkyl Substances (PFAS). NIEHS Superfund Research Conference, Raleigh, NC, December 14 - 16, 2022. https://doi.org/10.23645/epacomptox.21717770
Groff, L., J. Grossman, A. Kruve, J. Minucci, C. Lowe, J. McCord, D. Kapraun, K. Phillips, S. Purucker, A. Chao, C. Ring, A. Williams, AND J. Sobus. Uncertainty estimation strategies for quantitative non-targeted analysis. Analytical and Bioanalytical Chemistry. Springer, New York, NY, 414(17):4919-4933, (2022). https://doi.org/10.1007/s00216-022-04118-z
2021
Flynn, A., A. Williams, J. Sobus, E. Ulrich, J. Gundersen, C. Miller, AND S. Newton. A Framework for Utilizing High Resolution Mass Spectrometry and Non-Targeted Analysis (NTA) in Rapid Response and Emergency Situations Abstract. SETAC Annual Meeting, Portland, OR, November 14 - 18, 2021.
Panagopoulos Abrahamsson, D., J. Sobus, E. Ulrich, K. Isaacs, C. Moschet, T. Young, D. Bennett, AND N. Tulve. A quest to identify suitable organic tracers for estimating children’s dust ingestion rates. Journal of Exposure Science and Environmental Epidemiology . Nature Publishing Group, London, Uk, 31:70–81, (2021). https://doi.org/10.1038/s41370-020-0244-0
Place, B., E. Ulrich, J. Challis, A. Chao, B. Du, K. Favela, Y. Feng, C. Fisher, P. Gardinali, A. Hood, A. Knolhoff, A. McEachran, S. Nason, S. Newton, B. Ng, J. Nuñez, K. Peter, A. Phillips, N. Quinete, R. Renslow, J. Sobus, E. Sussman, B. Warth, S. Wickramasekara, AND A. Williams. An Introduction to the Benchmarking and Publications for Non-Targeted Analysis Working Group. Analytical Chemistry. American Chemical Society, Washington, DC, 93(49):16289-16296, (2021). https://doi.org/10.1021/acs.analchem.1c02660
Sobus, J. Biomonitoring in the 21st Century: Challenges and Opportunities. Catalyzing Knowledge-Driven Discovery in Environmental Health Sciences through a Harmonized Language, N/A, N/A, July 12, 2021. https://doi.org/10.23645/epacomptox.14991957
Lowe, C., K. Phillips, J. Sobus, A. Yau, K. Favela, A. Pfirrman, J. Wambaugh, J. Wambaugh, A. Williams, AND K. Isaacs. Chemical Characterization of Recycled Consumer Products Using Suspect Screening Analysis. Consumer Product Safety Commission Webinar, Virtual, Virtual, September 09, 2021. https://doi.org/10.23645/epacomptox.16591574
Lowe, C., K. Phillips, K. Favela, A. Yau, J. Wambaugh, J. Sobus, A. Williams, A. Jackson, AND K. Isaacs. Chemical Characterization of Recycled Consumer Products Using Suspect Screening Analysis (Environmental Science and Technology). ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 55(16):11375-11387, (2021). https://doi.org/10.1021/acs.est.1c01907
Sobus, J., E. Ulrich, J. Grossman, A. Chao, S. Newton, A. Williams, A. Richard, Chris Grulke, A. McEachran, R. Singh, H. Al-Ghoul, AND L. Groff. Findings from EPA's Non-Targeted Analysis Collaborative Trial (ENTACT)(CIDC). NIH Compound Identification Development Cores (CIDC) Webinar, Virtual, NC, May 10, 2021. https://doi.org/10.23645/epacomptox.17411225
Boyce, M., K. Farvala, J. Sobus, A. Williams, A. Chao, J. Wambaugh, L. Lizarraga, AND G. Patlewicz. Identifying markers of exposure using a combination of in silico predictive tools and non-targeted analysis. American Chemical Society (ACS) Fall 2021 National Meeting, Virtual, NC, August 22 - 26, 2021. https://doi.org/10.23645/epacomptox.17430338
Williams, A., A. McEachran, A. Chao, Tom Transue, T. Cathey, AND J. Sobus. In silico MS/MS fragmentation spectra for identifying chemical unknowns: applications and performance validation (QSAR 2021). QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences, Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.15075036
Sloop, J., A. Chao, J. Gundersen, A. Phillips, J. Sobus, E. Ulrich, A. Williams, AND S. Newton. Mock Scenarios for Rapid Response Situations Involving Unknown Chemicals Using an NTA Approach. Nestle Company, N/A, Virtual, September 22, 2021. https://doi.org/10.23645/epacomptox.16661323
Sobus, J. NAMs For Exposure: Non-Targeted Analysis. U.S. EPA ORD, CSS Research Program Board of Scientific Counselors (BOSC), Virtual, NC, February 02 - 05, 2021. https://doi.org/10.23645/epacomptox.13921517
Peter, K., A. Phillips, A. Knolhoff, P. Gardinali, C. Manzano, K. Miller, M. Pristner, L. Sabourin, M. Sumarah, B. Warth, AND J. Sobus. Non-Targeted Analysis Study Reporting Tool: A Framework to Improve Research Transparency and Reproducibility. Analytical Chemistry. American Chemical Society, Washington, DC, 93(41):13870-13879, (2021). https://doi.org/10.1021/acs.analchem.1c02621
Flynn, A., K. Peter, A. Knolhoff, P. Gardinali, C. Manzano, K. Miller, M. Pristner, L. Sabourin, B. Warth, M. Sumarah, AND J. Sobus. Non-Targeted Analysis Study Reporting Tool: A New Framework to Improve Reproducibility and Transparency - Abstract. SETAC, Portland, OR, November 14 - 18, 2021.
Eddy, L., K. Phillips, J. Sobus, E. Ulrich, AND K. Isaacs. Predicting Chemical Occurrence in Environmental and Biological Media [ISES abstract]. International Society for Exposure Science 2021 Virtual Meeting, Virtual, Virtual, August 30 - September 02, 2021. https://doi.org/10.23645/epacomptox.15151947
Lowe, C., K. Isaacs, A. McEachran, Chris Grulke, J. Sobus, E. Ulrich, A. Chao, AND A. Williams. Predicting Chromatography-tandem Mass Spectrometry Amenability to Improve Non-targeted Analysis (Agilent). Agilent Online Webinar, Virtual, NC, February 26, 2021. https://doi.org/10.23645/epacomptox.14188553
Lowe, C., K. Isaacs, A. McEachran, Chris Grulke, J. Sobus, E. Ulrich, A. Richard, A. Chao, J. Wambaugh, AND A. Williams. Predicting Compound Amenability with Liquid Chromatography Mass Spectrometry to Improve Non-targeted Analysis. American Chemical Society (ACS) Fall 2021 National Meeting, Virtual, NC, August 22 - 26, 2021. https://doi.org/10.23645/epacomptox.15411699
Lowe, C., K. Isaacs, A. McEachran, Chris Grulke, J. Sobus, E. Ulrich, A. Richard, A. Chao, J. Wambaugh, AND A. Williams. Predicting Compound Amenability with Liquid Chromatography Mass Spectrometry to Improve Non-targeted Analysis (QSAR 2021). QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences, Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.15078534
Lowe, C., K. Isaacs, A. McEachran, C. Grulke, J. Sobus, E. Ulrich, A. Richard, A. Chao, J. Wambaugh, AND A. Williams. Predicting compound amenability with liquid chromatography-mass spectrometry to improve non-targeted analysis. Analytical and Bioanalytical Chemistry. Springer, New York, NY, 413(30):7495-7508, (2021). https://doi.org/10.1007/s00216-021-03713-w
Sobus, J. Quantitative Non-Targeted Analysis for Risk-Based Prioritization of Emerging Contaminants. Total PFAS Analysis for Public Health Protection: Science, Applications, Benefits and Challenges, N/A, N/A, October 28, 2021. https://doi.org/10.23645/epacomptox.16877137
Groff, L., H. Liberatore, S. Newton, AND J. Sobus. Semi-Quantitative Non-Targeted Analysis as a Rapid Risk Prioritization Tool: A Proof of Concept Using Activated Carbon Drinking Water Filters. American Chemical Society Spring 2021 National Meeting, Virtual, NC, April 05 - 16, 2021. https://doi.org/10.23645/epacomptox.14410475