PUBLICATIONS

33. Samith B. Jayawardana, Collin B. Gabel, Arya A. Bhosale, Aruzhan Abdikaiym, Gbolagade Olajide, Shanuk Rajapakse, Tibor Szilvasi,* Brad S. Pierce,* Gayan B. Wijeratne* Stoichiometry Dependent Modifications in Synthetic Heme Peroxo Reactivity with Nitrosonium: A New Paradigm for Understanding Heme Mediated Nitration Chemistry, Submitted.

32. Shanuk Rajapakse, Dhilanka Udukulage, Junqi Sun, Henrik P. H. Wong, Remigio Usai, Joshua Helms, Yifan Wang,* Brad S. Pierce,* Sam P. de Visser,* and Gayan B. Wijeratne* Mechanistic Investigations into Aldehyde Deformylation Reactivity of Synthetic Heme Peroxo Complexes: Insight into C-C bond Cleavage Mediated by Cytochrome P450 Aromatase, In Revision.

31. Shanuk Rajapakse, Ayushi Awasthi, Dhilanka Udukulage, Emily Pierce, and Gayan B. Wijeratne*Heme Peroxo Intermediates: The Unsung Heroes of Heme-Mediated Biological and Synthetic Transformations, Submitted.

30. Keith A. Searles, J. Krzystek, Gayan B. Wijeratne, Patrick J. Carroll,  Daniel J. Mindiola,* Timothy A. Jackson,* and Joshua Telser* Chromocenium: Structural and Electronic Characterization of a Forgotten Member of the Simple Metallocenes, [Cr(η5-C5H5)2][BArF], Organometallics 2025, 45, 48-61.

29. Samith B. Jayawardana, Pritam Mondal, Collin B. Gabel, Gbolagade Olajide, Daniel A. Decato, Nicholas C. Suffern, Tibor Szilvasi,* Brad S. Pierce,* Pierre Moënne-Loccoz,* and Gayan B. Wijeratne* From Transient to Metastable: Generation, Characterization, and Biomimetic Reactivity Studies of Well-Defined Heme Peroxynitrite Model Systems. J. Am. Chem. Soc. 2025, 45, 41524-41538. Featured on JACS Supplementary Cover.

28. Shanuk Rajapakse, Yuri Lee, Samith B. Jayawardana, Joshua Helms, Pritam Mondal, Akhil Singh, Brad S. Pierce,* Hannah S. Shafaat,* Gayan B. Wijeratne* Modulation of Heme Peroxo Nucleophilicities with Axial Ligands Reveal Key Insights into the Mechanistic Landscape of Nitric Oxide Synthase. Chem. Sci. 2025, 16, 9648-9661. Featured on the Inside Front Cover and a part of the Spotlight Collection: Bioinorganic Chemistry.

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, 16, 2402-2412.

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, 10, 7306-7316.

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. Feature as the Chem. Eur. J. Front Cover.

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. Featured as the ACIE Cover Picture.

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. (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.