Publications

2024

  • Bline, Abigail P., DeWitt, Jamie C., Kwiatkowski, Carol F., Pelch, Katherine E., Reade, Anna, Varshavsky, Julia R. (2024, March 13). Public Health Risks of PFAS‑Related Immunotoxicity Are Real. https://doi.org/10.1007/s40572-024-00441-y
  • Hopkins, Zachary R., Knappe, Detlef R.U. (2024, March 19). Predicting per- and polyfluoroalkyl substances removal in pilot-scale granular activated carbon adsorbers from rapid small-scale column tests. https://doi.org/10.1002/aws2.1369
  • Kotlarz N, Guillette T, Critchley C, Collier D, Lea CS, McCord J, Strynar M, Cuffney M, Hopkins ZR, Knappe DRU, Hoppin JA. (2024, January 10). Per- and polyfluoroalkyl ether acids in well water and blood serum from private well users residing by a fluorochemical facility near Fayetteville, North Carolina. PMID: 38195989 PMCID: 10976930: DOI: 10.1038/s41370-023-00626-x
  • Kotlarz N, McCord J, Wiecha N, Weed RA, Cuffney M, Enders JR, Strynar M, Knappe DRU, Reich BJ, Hoppin JA. (2024, February 2). Measurement of Hydro-EVE and 6:2 FTS in Blood from Wilmington, North Carolina, Residents. 2017-2018. PMID: 38306194 PMCID: PMC10836582 DOI: 10.1289/EHP14503
  • Kirkwood-Donelson, Kaylie I., Chappel, Jessie, Tobin, Emma, Dodds, James N., Reif, David M., DeWitt, Jamie C., Baker, Erin S. (2024, April). Investigating mouse hepatic lipidome dysregulation following exposure to emerging per- and polyfluoroalkyl substances (PFAS). https://doi.org/10.1016/j.chemosphere.2024.141654
  • Kotlarz N, McCord J, Wiecha N, Weed RA, Cuffney M, Enders JR, Strynar M, Knappe DRU, Reich BJ, Hoppin JA. (2024, February 2). Reanalysis of PFO5DoA Levels in Blood from Wilmington, North Carolina, Residents, 2017-2018. PMID: 38306196 PMCID: PMC10836584 DOI: 10.1289/EHP13339
  • Starnes, Hannah M., Jackson, Thomas W., Rock, Kylie D., Belcher, Scott M. (2024, March 22). Quantitative cross-species comparison of serum albumin binding of per- and polyfluoroalkyl substances from five structural classes. doi.org/10.1093/toxsci/kfae028.

2023

  • Baker, Erin S., Kirkwood-Donelson, Kaylie, Dodds, James, Schnetzer, Astrid, Hall, Nathan (2023, October 25). Uncovering per- and polyfluoroalkyl substances (PFAS) with nontargeted ion mobility spectrometry–mass spectrometry analyses. Science Advances. https://doi.org/10.1126/sciadv.adj7048
  • Boatman, A. K., Chappel, J. R., Polera, M. E., Dodds, J. N., Belcher, S. M., & Baker, E. S. (2023, September 5). Assessing Per- and Polyfluoroalkyl Substances (PFAS) in Fish Fillet Using Non-Targeted Analyses. (Preprint: https://doi.org/10.1101/2023.09.01.555938)
  • Chappel JR, King ME, Fleming J, Eberlin LS, Reif DM, Baker ES. 2023. Aggregated molecular phenotype scores: Enhancing assessment and visualization of mass spectrometry imaging data for tissue-based diagnostics. Analytical Chemistry. 95(34):12913-12922. doi:10.1021/acs.analchem.3c02389 PMID:37579019
  • Chappel, Jessie R., Kirkwood-Donelson, Kaylie I., Reif, David M., Baker, Erin S. (2023, October 25). From big data to big insights: statistical and bioinformatic approaches for exploring the lipidome. PMID: 37875675 PMCID: PMC10954412 DOI: 10.1007/s00216-023-04991-2
  • Cuffney, M., Wilkie, A., Kotlarz, N., Knappe, D., Lea, C., Collier, D., DeWitt J., Hoppin J. (2023, September 4). Factors associated with per- and polyfluoroalkyl substances (PFAS) serum concentrations in residents of New Hanover County, North Carolina: The GenX exposure study. https://doi.org/10.1016/j.envres.2023.117020.
  • Efromson J, Ferrero G,  Bègu A, Doman TJJ, Dugo C, Barker A, Saliu V, Reamey P, Kim K, Harfouche M, Yoder JA. 2023. Automated, high-throughput quantification of EGFP-expressing neutrophils in zebrafish by machine learning and a highly-parallelized microscope. BioRxiv. 553550 [Preprint, posted August 18, 2023]. PMID: 37645798. PMCID: PMC10462042. Available from: https://doi.org/10.1101/2023.08.16.553550.
  • Hall, Samantha M., Zhang, Sharon, Tait, George H., Hoffman, Kate, Collier, David N., Hoppin, Jane A., Stapleton, Heather M. (2023, October 15). PFAS levels in paired drinking water and serum samples collected from an exposed community in Central North Carolina. https://doi.org/10.1016/j.scitotenv.2023.165091.
  • Kotlarz, Nadine, Guillette, Theresa, Critchley, Claire, Collier, David, Lea, C. Suzanne, McCord, James, Strynar, Mark, Cuffney, Michael, Hopkins, Zachary R., Knappe, Detlef R.U., and Hoppin, Jane 2023. Per- and polyfluoroalkyl ether acids in well water and blood serum from private well users residing by a fluorochemical facility near Fayetteville, North Carolina. Journal of Exposure Science & Environmental Epidemiology; https://doi.org/10.1038/s41370-023-00626-x
  • Phelps D, Palekar AI, Conley HE, Ferrer G, Driggers JH, Linder KE, Kullman SW, Reif DM, Sheats MK, DeWitt JC, Yoder JA. 2023. Legacy and emerging per- and polyfluoroalkyl substances suppress the neutrophil respiratory burst. J Immunotoxicol. 20(1): 2176953. PMID: 36788734. PMCID: PMC10361455. DOI: 10.1080/1547691X.2023.2176953.
  • Rock KD, Polera ME, Guillette TC, Starnes HM, Dean K, Watters M, Stevens-Stewart D, Belcher SM. 2023. Domestic dogs and horses as sentinels of per- and polyfluoroalkyl substances exposure and associated health biomarkers in Gray’s Creek North Carolina. Environmental Science & Technology. 57(26):9567-9579. doi:10.1021/acs.est.3c01146 PMID:37340551
  • Taylor KD, Woodlief TL, Ahmed A, Hu Q, Duncker PC, DeWitt JC. 2023. Quantifying the impact of PFOA Exposure on B cell development and antibody production. Toxicol Sci. 194(1): 101-108. PMID: 37162486. PMCID: PMC10306397. DOI: 10.1093/toxsci/kfad043.
  • Wallis Dylan J., Kotlarz Nadine, Knappe Detlef R.U., Collier David N., Lea C. Suzanne, Reif David, McCord James, Strynar Mark, DeWitt Jamie C., Hoppin Jane A. 2023. Estimation of the Half-Lives of Recently Detected Per- and Polyfluorinated Alkyl Ethers in an Exposed Community. Environmental Science & Technology DOI: 10.1021/acs.est.2c08241. Manuscript No.: es-2022-08241e (10.1021/acs.est.2c08241)
  • Zhang C, Tang T, Knappe DRU. 2023. Oxidation of Per- and Polyfluoroalkyl Ether Acids and Other Per- and Polyfluoroalkyl Substances by Sulfate and Hydroxyl Radicals: Kinetic Insights from Experiments and Models. Environ Sci Technol, online ahead of print. PMID: 37223990. NIHMS: NIHMS1929684. DOI: 10.1021/acs.est.3c00947.

2022

  • Belcher SM, Guillette MP, Robb F, Rock KD. 2022. Comparative assessment of blood mercury in American alligators (Alligator mississippiensis) from Coastal North Carolina and Florida. Ecotoxicology. 31(7):1137-1146. PMID: 35918620. PMCID: PMC9463099. DOI: 10.1007/s10646-022-02573-z. 
  • Butler KE, Baker ES. 2022. A High-Throughput Ion Mobility Spectrometry-Mass Spectrometry Screening Method for Opioid Profiling. Journal of the American Society for Mass Spectrometry. 33(10): 1904-1913. PMID: 36136315. PMCID: PMC9616473. DOI:10.1021/jasms.2c00186.
  • Butler KE, Dodds J, Flick T, Campuzano ID, Baker ES. 2022. High-Resolution Demultiplexing (HRdm) Ion Mobility Spectrometry-Mass Spectrometry for Aspartic and Isoaspartic Acid Determination and Screening. Analytical Chemistry. 94(16): 6191-6199. PMID: 35421308. PMCID: PMC9635094.  DOI:10.1021/acs.analchem.1c05533.
  • Cohen Hubal EA, DeLuca NM, Mullikin A, Slover R, Little JC, Reif DM. 2022. Demonstrating a systems approach for integrating disparate data streams to inform decisions on children’s environmental health. BMC Public Health. 22(1):313. PMID: 35168583. PMCID: PMC8845296. DOI: 10.1186/s12889-022-12682-3.
  • Dodds J, Wang L, Patti GJ, Baker ES. 2022. Combining isotopologue workflows and simultaneous multidimensional separations to detect, identify, and validate metabolites in untargeted analyses. Analytical Chemistry. doi:10.1021/acs.analchem.1c04430 PMID:35089687 PMCID:PMC8934380
  • Doyle MG, Odenkirk MT, Stewart AK, Nelson JP, Baker ES, De La Cruz F. 2022. Assessing the fate of dissolved organic compounds in landfill leachate and wastewater treatment systems. ACS ES&T Water. doi:10.1021/acsestwater.2c00320
  • Ducatman A, LaPier J, Fuoco RE, DeWitt JC. 2022. Official health communications are failing PFAS-contaminated communities. 21(1): 51. Environmental Health. PMID: 35538533. PMCID: PMC9092686. DOI: 10.1186/s12940-022-00857-9. 
  • Enders J, Weed RA, Griffith EH, Muddiman DC. 2022. Development and validation of a high resolving power absolute quantitative per- and polyfluoroalkyl substances method incorporating Skyline data processing. Rapid Communications in Mass Spectrometry. 36(11): e9295. PMID: 35275435. PMCID: PMC9287086. DOI:10.1002/rcm.9295. 
  • Evich MG, Davis MJ, McCord JP, Acrey B, Awkerman JA, Knappe DRU, Lindstrom AB, Speth TF, Tebes-Stevens C, Strynar M, Wang Z, Weber EJ, Henderson WM, Washington JW. 2022. Per- and polyfluoroalkyl substances in the environment. Science. 375(6580): eabg9065. PMID: 35113710. PMCID: PMC8902460. DOI:10.1126/science.abg9065.
  • Foster MR, Rainey M, Watson C, Dodds J, Kirkwood KI, Fernandez FM, Baker ES. 2022. Uncovering PFAS and other Xenobiotics in the Dark Metabolome Using Ion Mobility Spectrometry, Mass Defect Analysis, and Machine Learning. Environmental Science & Technology. 56(12):9133-9143. PMID: 35653285. PMCID: PMC9474714. DOI:10.1021/acs.est.2c00201.
  • Guillette TC, Jackson TW, Guillette MP, Belcher SM, McCord JP. 2022. Blood Concentrations of Per- and Polyfluoroalkyl Substances are Associated with Autoimmune-like Effects in American Alligators from Wilmington, North Carolina. Front Toxicol. 4:1010185. PMID: 36227916. PMCID: PMC9630345. DOI:10.3389/ftox.2022.1010185.
  • Kirkwood KI, Pratt BS, Shulman N, Tamura K, MacCoss MJ, MacLean BX, Baker ES. 2022. Utilizing Skyline to analyze lipidomics data containing liquid chromatography, ion mobility spectrometry and mass spectrometry dimensions. Nature Protocols. doi:10.1038/s41596-022-00714-6 PMID:35831612
  • McDonough CA, Li W, Bischel HN, De Silva AO, DeWitt JC. 2022. Widening the Lens on PFASs: Direct Human Exposure to Perfluoroalkyl Acid Precursors (pre-PFAAs). Environ Sci Technol. 56(10):6004-6013. [PMID: 35324171. PMCID: PMC] DOI:10.1021/acs.est.2c00254.
  • Odenkirk MT, Horman BM, Dodds J, Patisaul HB, Baker ES. 2022. Combining micropunch histology and multidimensional lipidomic measurements for in-depth tissue mapping. ACS Measurement Science. 2(1):67-75. doi:10.1021/acsmeasuresciau.1c00035 PMID:35647605 PMCID:PMC9139744
  • Rainey M, Watson C, Asef CK, Foster MR, Baker ES, Fernandez FM. 2022. CCS predictor 2.0: an open-source Jupyter notebook tool for filtering out false positives in metabolomics. Analytical Chemistry. 94(50):17456-17466. doi:10.1021/acs.analchem.2c03491 PMID:36473057 PMCID:PMC9772062
  • Roell K, Koval LE, Boyles R, Patlewicz G, Ring C, Rider CV, Ward-Caviness C, Reif DM, Jaspers I, Fry RC, Rager JE. 2022. Development of the InTelligence And Machine LEarning (TAME) Toolkit for Introductory Data Science, Chemical-Biological Analyses, Predictive Modeling, and Database Mining for Environmental Health Research. Front Toxicol. 4:893924. PMID: 35812168. PMCID: PMC9257219. DOI: 10.3389/ftox.2022.893924.
  • Rosen EM, Kotlarz N, Knappe DRU, Lea CS, Collier DN, Richardson DB, Hoppin JA. 2022. Drinking Water–Associated PFAS and Fluoroethers and Lipid Outcomes in the GenX Exposure Study. Environ Health Perspect. 130(9): 97002. PMID: 36969575. PMCID: PMC9450637. DOI: 10.129/EHP11033.
  • Starnes HM, Rock KD, Jackson TW, Belcher SM. 2022. A Critical Review and Meta-Analysis of Impacts of Per- and Polyfluorinated Substances on the Brain and Behavior. Front Toxicol. 4:881584. PMID: 35480070. PMCID: PMC9035516. DOI: 10.3389/ftox.2022.881584. 
  • Truong L, Rericha Y, Thunga P, Marvel S, Wallis D, Simonich MT, Field JA, Cao D, Reif DM, Tanguay RL. 2022. Systematic developmental toxicity assessment of a structurally diverse library of PFAS in zebrafish. J Hazard Mater. 431: 128615. PMID: 35263707. PMCID: PMD8970529. DOI: 10.1016/j.jhazmat.2022.128615. 
  • Wallis DJ, Barton KE, Knappe DRU, Kotlarz N, McDonough CA, Higgins CP, Hoppin JA, Adgate JL. 2022. Source apportionment of serum PFASs in two highly exposed communities. Sci Total Environ. 855:158842. PMID: 36122706. PMCID: PMC#. DOI:10.1016/j.scitotenv.2022.158842.
  • Weed RA, Boatman AK, Enders J. 2022. Recovery of per- and polyfluoroalkyl substances after solvent evaporation. Environmental Science. Processes & Impacts. doi:10.1039/d2em00269h PMID:36281820
  • Witchey SK, Doyle MG, Fredenburg JD, Armour GS, Horman BM, Odenkirk MT, Aylor DL, Baker ES, Patisaul HB. 2022. Impacts of Gestational FireMaster 550 (FM 550) Exposure on the Neonatal Cortex are Sex Specific and Largely Attributable to the Organophosphate Esters. Neuroendocrinology. PMID: 36075192. PMCID: PMC9992460. DOI: 10.1159/000526959. 

2021

  • Aly NA, Dodds J, Luo Y, Grimm FA, Foster MR, Rusyn I, Baker ES. 2021. Utilizing ion mobility spectrometry-mass spectrometry for the characterization and detection of persistent organic pollutants and their metabolites. Analytical and Bioanalytical Chemistry. 414(3):1245-1258. PMID: 34668045. PMCID: 8727508. DOI: 10.1007/s00216-021-03686-w.
  • Bilbao A, Gibbons BC, Stow SM, Kyle JE, Bloodsworth KJ, Payne SH, Smith RD, Ibrahim YM, Baker ES, Fjeldsted JC. 2021. A Preprocessing Tool for Enhanced Ion Mobility-Mass Spectrometry-Based Omics Workflows. J Proteome Res. 21(3): 798-807.  PMID: 34382401. PMCID: PMC8837709. DOI: 10.1021/acs.jproteome.1c00425.
  • Butler KE, Takinami Y, Rainczuk A, Baker ES, Roberts BR. 2021. Utilizing Ion Mobility-Mass Spectrometry to Investigate the Unfolding Pathway of Cu/Zn Superoxide Dismutase. Front Chem. 9:614595. PMID: 33634076. PMCID: PMC7900566. DOI: 10.3389/fchem.2021.614595.
  • Dodds JN, Alexander NLM, Kirkwood KI, Foster MR, Hopkins ZR, Knappe DRU, Baker ES. 2021. From Pesticides to Per- and Polyfluoroalkyl Substances: An Evaluation of Recent Targeted and Untargeted Mass Spectrometry Methods for Xenobiotics. Anal Chem. 93(1): 641-656. PMID: 33136371. PMCID: PMC7855838. DOI: 10.1021/acs.analchem.0c04359.
  • Dodds J, Baker ES. 2021. Improving the Speed and Selectivity of Newborn Screening Using Ion Mobility Spectrometry-Mass Spectrometry. Analytical Chemistry. 93(51):17094-17102. PMID: 34851605. PMCID: PMC8730783. DOI:10.1021/acs.analchem.1c04267. 
  • Enders JR, O’Neill GM, Whitten JL, Muddiman DC. 2021. Understanding the electrospray ionization response factors of per- and poly-fluoroalkyl substances (PFAS). Anal Bioanal Chem.414 (3):1227-1234. PMID: 34291300. PMCID: PMC8727445. DOI: 10.1007/s00216-021-03545-8.
  • Fleming J, Marvel S, Supak S, Motsinger-Reif A, Reif DM. 2021. ToxPi*GIS Toolkit: creating, viewing, and sharing integrative visualizations for geospatial data using ArcGIS. J Expo Sci Environ Epidemiol. 32(6): 900-907. PMID: 35474345. PMCID: PMC9039976. DOI: 10.1038/s41370-022-00433-w.
  • Gilchrist PO, Alexander AB, Green AJ, Sanders FE, Hooker AQ, Reif DM. 2021. Development of a Pandemic Awareness STEM Outreach Curriculum: Utilizing a Computational Thinking Taxonomy Framework. Education Sciences. 11(3): 109. PMID: 34824997. PMCID: PMC8612627. DOI: 10.3390/educsci11030109.
  • Jackson TW, Scheibly CM, Polera ME, Belcher SM. Rapid Characterization of Human Serum Albumin Binding for Per- and Polyfluoroalkyl Substances Using Differential Scanning Fluorimetry. 2021. Environ Sci Technol. 55(18): 12291-12301. PMID: 34495656. PMCID: PMC8651256. DOI: 10.1021/acs.est.1c01200.
  • Khadempour L, Kyle JE, Webb-Robertson B, Nicora CD, Smith FB, Smith RD, Lipton MS, Currie CR, Baker ES, Burnum-Johnson KE. 2021. From Plants to Ants: Fungal Modification of Leaf Lipids for Nutrition and Communication in the Leaf-Cutter Ant Fungal Garden Ecosystem. mSystems. 6(2):e013070-20. PMID: 33758033. PMCID: PMC8547007. DOI: 10.1128/mSystems.01307-20.
  • Kirkwood KI, Christopher MW, Burgess JL, Littau S, Foster K, Richey K, Pratt BS, Shulman N, Tamura K, MacCoss MJ, MacLean BX, Baker ES. 2021. Development and Application of Multidimensional Lipid Libraries to Investigate Lipidomic Dysregulation Related to Smoke Inhalation Injury Severity. Journal of Proteome Research. 21(1): 232-242. PMID: 34874736. PMCID: PMC8741653. DOI:10.1021/acs.jproteome.1c00820.
  • Kirkwood KI, Fleming J, Nguyen H, Reif DM, Baker ES, Belcher SM. 2021. Utilizing Pine Needles to Temporally and Spatially Profile Per- and Polyfluoroalkyl Substances. Environmental Science & Technology. 56(6): 3441-3451. PMID: 35175744. PMCID: PMC9199521. DOI: https://doi.org/10.1101/2021.08.24.457570.
  • Kofeler HC, Ahrends R, Baker ES, Ekroos K, Han X, Hoffmann N, Holcapek M, Wenk MR, Liebisch G. 2021. Recommendations for good practice in MS-based lipidomics. Journal of Lipid Research. 62: 100138. PMID: 34662536. PMCID: PMC8585648. DOI:10.1016/j.jlr.2021.100138.
  • Marvel SW, House JS, Wheeler M, Song K, Zhou YH, Wright FA, Chiu WA, Rusyn I, Motsinger-Reif A, Reif DM. 2021. The COVID-19 Pandemic Vulnerability Index (PVI) Dashboard: Monitoring County-Level Vulnerability Using Visualization, Statistical Modeling, and Machine Learning. Environ Health Perspect.129 (1): 17701. PMID: 33400596. PMCID: PMC7785295. DOI: 10.1289/EHP8690.
  • Odenkirk MT, Reif DM, Baker ES. 2021. Multiomic Big Data Analysis Challenges: Increasing Confidence in the Interpretation of Artificial Intelligence Assessments. Anal Chem. 93(22): 7763-7773. PMID: 3402968. PMCID: PMC8465926. DOI: 10/1021/acs.analchem.0c04850.
  • Wallis DJ, Truong L, La Du J, Tanguay RL, Reif DM. 2021. Uncovering Evidence for Endocrine-Disrupting Chemicals That Elicit Differential Susceptibility through Gene-Environment Interactions. Toxics. 9(4): 77. PMCID: 33917455.PMC8067468. DOI: 10.3390/toxics9040077.
  • Zhang C, McElroy AC, Liberatore HK, Alexander NLM, Knappe DRU. 2021. Stability of Per- and Polyfluoroalkyl Substances in Solvents Relevant to Environmental and Toxicological Analysis. Environmental Science & Technology. 56(10): 6103-6112. PMID: 34734715. PMCID: PMC9065217. DOI: 10.1021/acs.est.1c03979.

2020

  • Cohen Hubal EA, Reif DM, Slover R, Mullikin A, Little JC. 2020. Children’s Environmental Health: A Systems Approach for Anticipating Impacts from Chemicals. Int J Environ Res Public Health. 2020. 17(22): 8337. PMID: 33187264. PMCID: PMC7696947. DOI: 10.3390/ijerph17228337.
  • Dodds JN, Hopkins ZR, Knappe DRU, Baker ES. 2020. Rapid Characterization of Per- and Polyfluoroalkyl Substances (PFAS) by Ion Mobility Spectrometry-Mass Spectrometry (IMS-MS). Analytical Chemistry. 92 (6):4427-4435. PMID: 32011866. PMCID: PMC7173758. DOI: 10.1021/acs.analchem.9b05364.
  • Gluge J, Scheringer M, Cousins IT, DeWitt JC, Goldenman G, Herzke D, Lohmann R, Ng CA, Trier X, Wang Z. 2020. An overview of the uses of per- and polyfluoroalkyl substances (PFAS). Environ Sci Process Impacts. 22(12): 2345-2373. PMID: 33125022. PMCID: PMC7784712. DOI: 10.1039/d0em00291g.
  • Kwiatkowski CF, Andrews DQ, Birnbaum LS, Bruton TA, DeWitt JC, Knappe DRU, Maffini MV, Miller MF, Pelch KE, Reade A, Soehl A, Trier X, Venier M, Wagner CC, Wang Z, Blum A. Scientific Basis for Managing PFAS as a Chemical Class. Environmental Science & Technology Letters. 7(8): 532–543. PMID: 34307722. PMCID: PMC8297807. DOI: 10.1021/acs.estlett/0c00255.
  • Odenkirk MT, Stratton KG, Gritsenko MA, Bramer LM, Webb-Robertson BM, Bloodsworth KJ, Weitz KK, Lipton AK, Monroe ME, Ash JR, Fourches D, Taylor BD, Burnum-Johnson KE, Baker ES. 2020. Unveiling molecular signatures of preeclampsia and gestational diabetes mellitus with multi-omics and innovative cheminformatics visualization tools. Mol Omics.16(6): 521-532. PMID: 32966491. PMCID: PMC7736332. DOI: 10.1039/d0mo00074d.
  • Odenkirk MT, Zin PPK, Ash JR, Reif DM, Fourches D, Baker ES. 2020. Structural-based connectivity and omic phenotype evaluations (SCOPE): A cheminformatics toolbox for investigating lipidomic changes in complex systems. Analyst. 145(22): 7197-7209. PMID: 33094747. PMCID: PMC7695036. DOI: 10.1039/d0an01638a.