PUBLICATIONS

27. Sanjib Panda, Suzanne M. Adam, Hai Phan, Patrick J. Rogler, Pradip Kumar Hota, Josh Helms, Brad S. Pierce, Gayan B. Wijeratne,* and Kenneth D. Karlin* Reactivity of a heterobinuclear heme-peroxo-Cu complex with para-substituted catechols shows a pKa-dependent change in mechanism. Chem. Sci. 2025. DOI: 10.1039/d4sc05623j.

26. Shefali Saini, N.V.S. Dinesh K. Bhupathiraju, Samith B. Jayawardana, Michael D. Phipps, Jason S. Lewis, Lynn C. Francesconi, Gayan B. Wijeratne, Melissa A. Deri, Suzanne E. Lapi* [⁴⁵Ti]Ti-HOPOs: Potential Complexes for the Development of ⁴⁵Ti PET Imaging Agents. ACS Omega 2025. DOI: 10.1021/acsomega.4c05544.

25. Garrett B. Tolbert, Samith B. Jayawardana, Yuri Lee, Junqi Sun, Fengrui Qu, Logan M. Whitt, Hannah S. Shafaat,* and Gayan B. Wijeratne* Secondary Sphere Lewis Acid Activated Heme Superoxo Adducts Mimic Crucial Non-Covalent Interactions in IDO/TDO Heme Dioxygenases. Chem. Eur. J. 2024, e202402310. DOI: 10.1002/chem.202402310.

24. Pritam Mondal, Dhilanka Udukalage, Abubaker A. Mohamed, Henrik P. H. Wong, Sam P. de Visser*, Gayan B Wijeratne* A Cytochrome P450 TxtE Model System with Mechanistic and Theoretical Evidence for a Heme Peroxynitrite Active Species. Angew. Chem. Int. Ed. 2024, 61, e202409430. DOI: 10.1002/anie.202409430.

23. James M. Omweri, Volkan Tekin, Shefali Saini, Hailey A. Houson, Samith B. Jayawardana, Daniel A. Decato, Gayan B. Wijeratne, Suzanne E. Lapi* Chelation chemistry of manganese-52 for PET imaging applications. Nucl. Med. Biol. 2024, 128-129.

22. Qiaoli Liang*, Pritam Mondal, Qi Li, Tahir Maqbool, Chao Zhao, Daqian Jiang, Greg J. Szulczewski, and Gayan B. Wijeratne* Nitro Indole Derivatives as Novel Dual-Polarity Matrices for MALDI Mass Spectrometry and Imaging with Broad Applications. Anal. Chem. 2024, 96, 1668–1677.

21. Mondal, P.; Ishigami, I.; Yeh, S.-R.; Wijeratne, G. B.* The Role of Heme Peroxo Oxidants in the Rational Mechanistic Modeling of Nitric Oxide Synthase: Characterization of Key Intermediates and Elucidation of the Mechanism. Angew. Chem. Int. Ed. 2022, 61, e202215829. DOI: 10.1002/anie.202211521. (Hot Paper). Featured on ACIE inside cover.

20. Mondal, P.; Rajapakse, S.; Wijeratne, G. B.* Following Nature’s Footprint: Mimicking the High-Valent Heme-Oxo Mediated Indole Monooxygenation Reaction Landscape of Heme Enzymes J. Am. Chem. Soc. 2022, 144, 3843–3854. Featured on JACS supplementary cover.

19. Mondal, P.; Tolbert, G. T.; Wijeratne, G. B.* Bio-inspired Nitrogen Oxide (NO_x) Interconversion Reactivities of Synthetic Heme Compound-I and Compound-II Intermediates J. Inorg. Biochem. 2022, 226, 111633– 111645. Invited article for a special issue in honor of Prof. Ken Karlin (Johns Hopkins University)

18. Mondal, P.; Ishigami, I.; Gérard, E. F.; Lim, E.; Yeh, S.-R.; de Visser, S. P.*; Wijeratne, G. B.* Proton-coupled Electron Transfer Reactivities of Electronically Divergent Heme Superoxide Intermediates: A Kinetic, Thermodynamic, and Theoretical Study Chem. Sci. 2021, 12, 8872-8883.

17. Zolnhofer, E. M.; Wijeratne, G. B.; Jackson, T. A.*; Fortier, S.; Heinemann, F. W.; Meyer, K.; Krzystek, J.; Ozarowski, A.; Mindiola, D. J.; Telser, J.* Electronic Structure and Magnetic Properties of a Titanium(II) Coordination Complex. Inorg. Chem. 2020 59, 6187-6201. ACS Editor’s Choice Article

16. Mondal, P.; Wijeratne, G. B.* Modeling Tryptophan/Indoleamine 2,3-Dioxygenase with Heme Superoxide Mimics: Is Ferryl the Key Intermediate? J. Am. Chem. Soc. 2020, 142, 1846-1856.

15. Wijeratne, G. B.*; Bhadra, M.; Siegler, M. A.; Karlin, K. D.* Copper(I) Complex Mediated Nitric Oxide Reductive Coupling: Ligand Hydrogen Bonding Derived Proton Transfer Promotes N₂O(g) Release J. Am. Chem. Soc. 2019, 141, 17962-17967.

14. Parham, J. D.; Wijeratne, G. B.; Mayfield, J.; Jackson, T. A.* Steric Control of Dioxygen Activation Pathways for Mn(II) Complexes Supported by Pentadentate, Amide-containing Ligands Dalton Trans. 2019, 48, 13034-13045.

13. Adam, S. M.; Wijeratne, G. B.; Rogler, P. J.; Diaz, D. E.; Quist, D. A.: Liu, J. J.; Karlin, K. D.* Synthetic Fe/Cu Complexes: Toward Understanding Heme-Copper Oxidase Structure and Function. Chem. Rev. 2018, 118, 10840-11022.

12. Wijeratne, G. B.; Denler, M. C.; Rice, D. B.; Colmer, H. E.; Day, V. W.; Jackson, T. A.* Mn-Peroxo adduct supported by a new tetradentate ligand shows acid-sensitive aldehyde deformylation reactivity. Dalton Trans. 2018, 47, 13442-13458.

11. Parham, J. D.; Wijeratne, G. B.; Rice, D. B.; Jackson, T. A.* Spectroscopic and Structural Characterization of Mn(III)-Alkylperoxo Complexes Supported by Pentadentate Amide-Containing Ligands. Inorg. Chem. 2018, 57, 2489-2502.

10. Rice, D. B.; Wijeratne, G. B.; Jackson, T. A.* Mn K-edge X-ray absorption studies of mononuclear Mn(III)-hydroxo complexes. J. Biol. Inorg. Chem. 2017, 22, 1281-1293.

9. Wijeratne, G. B.; Hematian, S.; Siegler, M. A.; Karlin, K. D.* Copper(I) / NO(g) Reductive Coupling Producing a trans-Hyponitrite Bridged Dicopper(II) Complex – Redox Reversal Giving Copper(I) / NO(g) Disproportionation. J. Am. Chem. Soc. 2017, 139, 13276-13279.

8. Rice, D. B.; Wijeratne, G. B.; Burr, A. D.; Parham, J. D.; Day, V. W.; Jackson, T. A.* Steric and Electronic Influence on Proton-Coupled Electron-Transfer Reactivity of a Mononuclear Mn(III)-Hydroxo Complex. Inorg. Chem. 2016, 55, 8110-8120.

7. Wijeratne, G. B.; Zolnhofer, E. M.; Fortier, S.; Grant, L. N.; Carroll, P. J.; Chen, C. H.; Meyer, K.; Krzystek, J.; Ozarowski, A.; Jackson, T. A.*; Mindiola, D. J.*; Telser, J.* Electronic Structure and Reactivity of a Well-Defined Mononuclear Complex of Ti(II) Inorg. Chem. 2015, 54, 10380-10397.

6. Wijeratne, G. B.; Day, V. W.; Jackson, T. A.* O-H bond oxidation by a monomeric Mn(III)-OMe complex. Dalton Trans. 2015, 44, 3295-3306.

5. Colmer, H. E.; Geiger, R. A.; Leto, D. F.; Wijeratne, G. B.; Day, V. W.; Jackson, T. A.* Geometric and electronic structure of a peroxomanganese(III) complex supported by a scorpionate ligand. Dalton Trans. 2014, 43, 17949-17963.

4. Wijeratne, G. B.; Corzine, B.; Day, V. W.; Jackson, T. A.* Saturation kinetics in phenolic O-H bond oxidation by a mononuclear Mn(III)-OH complex derived from dioxygen. Inorg. Chem. 2014, 53, 7622-7634.

3. Wolk, A. B.; Leavitt, C. M.; Fournier, J. A.; Kamrath, M. Z.; Wijeratne, G. B.; Jackson, T. A.; Johnson, M. A.* Isolation and characterization of a peroxo manganese (III) dioxygen reaction intermediate using cryogenic ion vibrational predissociation spectroscopy Int. J. Mass Spectrom. 2013, 354-355, 33-38.

2. Jackson, T. A.*; Krzystek, J.; Ozarowski, A.; Wijeratne, G. B.; Wicker, B. F.; Mindiola, D. J.; Telser, J.* Vanadocene de novo: Spectroscopic and computational analysis of bis(η5-cyclopentadienyl)vanadium(II) Organometallics 2012, 31, 8265-8274.

1. Geiger, R. A.; Wijeratne, G. B.; Day, V. W.; Jackson, T. A.* Steric and electronic influences on the structures of peroxomanganese(III) complexes supported by tetradentate ligands Eur. J. Inorg. Chem. 2012, 10, 1598-1608.