Our Publications

Here, you can find a list of Preprints, Publications, and Patents by the Mirica Group. After reading through our publication list, take a look at our Research Overview and our commonly used Techniques/Instruments. If you have questions about our work, please feel free to Contact Us!


Preprints & Submitted Manuscripts

118. Sayed, T. E.; Terpstra, K.; Whetter, J.; Xu, K.; Zhu, L.; Chakrabarti, S.; Marlin, A.; Wessel, A.; Majumdar, S.; Sutton, B.; Boros, E.; Mirica, L., Pyridinophane Ligands: An Attractive Chelator Platform for Mn-Based Imaging Agents. Submitted, ChemRxiv preprint: https://doi.org/10.26434/chemrxiv-2025-snpm4.

117. Bouley, B.; Zhou, W.; Griego, L.; Mirica, L. Kinetics and Thermodynamics of the Oxidative Addition of Aryl Bromides at Palladium(I) to Form Palladium(III) Complexes. Submitted, ChemRxiv preprint: https://doi.org/10.26434/chemrxiv-2024-lb1h3.

116. Chakrabarti, S.; Chae, J. B.; Knecht, K.; Cedron, N.; Mirica, L., Catalytically Competent Nickel(I)-Isocyanide Compounds. Submitted, ChemRxiv preprint: https://doi.org/10.26434/chemrxiv-2025-nn2x2.

Publications

115. Gutiérrez, C.; Sun, L.; Huang, Y.; Gui, K.; Terpstra, K.; Mirica, L.M. N-Alkylamino Stilbene Compounds as Amyloid β Inhibitors for Alzheimer’s Disease Research. Molecules 202530, 2471. https://doi.org/10.3390/molecules30112471. PDF

114. Nath, S., Griego, L. & Mirica, L.M. The mechanism of acetyl-CoA synthase through the lens of a nickel model system. Nat. Commun16, 5177 (2025). https://doi.org/10.1038/s41467-025-60163-z. PDF

113. Westawker, L. P.; Bouley, B. S.; Vura-Weis, J.; Mirica, Liviu. Photochemistry of Ni(II) tolyl chlorides supported by bidentate ligand frameworks. J. Am. Chem. Soc. 2025, 147, 20, 17315–17329. https://doi.org/10.1021/jacs.5c03770. PDF

112. Banerjee, S.; Chakrabarti, S.; Bouley, B. S.; Wahlmeier, A. J.; Mirica, L. M., Mononuclear palladium(I) and palladium(III) coordination compounds. Coordination Chemistry Reviews 2025, 535, 216605. https://doi.org/10.1016/j.ccr.2025.216605. PDF

111. Leung, J. J.; Bae, D. Y.; Moshood, Y.; Mirica, L. M. C–C and C–O Bond Formation Reactivity of Nickel Complexes Supported by the Pyridinophane MeN3C Ligand. Dalton Trans. 2025, 54, 5286-5292. https://doi.org/10.1039/D5DT00135H. PDF

110. Yerbulekova, A.;‡ Moshood, Y.;‡ Griego, L.; Shafaat, H. S.; Liviu M. Mirica, L. M. Spectroscopic and Computational Interrogation of a High-Valent Nickel-Dialkyl Complex Indicates Electronic Structure Asymmetry Drives C−C Bond Formation Reactivity J. Am. Chem. Soc. 2025, 147, 9, 7317–7324. https://doi.org/10.1021/jacs.4c14104. PDF

109. Rodriguez Carrero R. J.; Lloyd C. T.; Borkar J.; Nath S.; Mirica L. M.; Nair S.; Booker S. J.; Metcalf W. Genetic and biochemical characterization of a radical SAM enzyme required for post-translational glutamine methylation of methyl-coenzyme M reductase. mBio. 2025, 16, 2, e03546-24. https://doi.org/10.1128/mbio.03546-24. PDF

108. Wu, Y.; Torabi, S.-F.; Lake, R.; Yang, Z.; Hong, S.; Yu, Z.; Mirica, L.M.; Fonken, L.; Lu, Y. Deciphering Iron Redox Changes in Alzheimer’s Disease using DNAzyme Sensors that can Simultaneously Monitor Fe2+ and Fe3+. Alzheimer’s Dement. 2025, 20, 1, e088440. https://doi.org/10.1002/alz.088440. PDF

107. Rana, M.; Terpstra, K.; Gutierrez, C.; Xu, K.; Arya, H.; Bhatt T. K.; Mirica, L. M.; Kumar Sharma, A. K. Evaluation of Anti-Alzheimer’s Potential of Azo-Stilbene-Thioflavin-T derived Multifunctional Molecules: Synthesis, Metal and Aβ Species Binding and Cholinesterase Activity. Chem. Eur. J. 2024, 31, e202402748. https://doi.org/10.1002/chem.202402748. PDF

106. Chakrabarti, S.; Mirica, L. M. Quantifying Zinc and Manganese Reduction Potentials in Organic Solvents. Chem. 2024, 10, 11, 3273-3275. https://doi.org/10.1016/j.chempr.2024.10.015. PDF

105. Chae, J. B.; Holm, A. R.; Mirica, L. M. Radical control for enantioselective Csp3–Csp3 cross-coupling. Nat. Catal. 2024, 7, 857–859. https://doi.org/10.1038/s41929-024-01208-2. PDF

104. Terpstra, K.; Huang, Y.; Na, H.; Sun, L.; Gutierrez, C.; Yu, Z.; Mirica, L. M. 2-Phenylbenzothiazolyl Iridium Complexes as Inhibitors and Probes of Amyloid β Aggregation. Dalton Trans. 2024, 53, 14258. https://doi.org/10.1039/D4DT01691B. PDF

103. Burke, J. H.; Bae, D. Y.; Wallick, R. F.; Dykstra, C. P.; Rossi, T. C.; Smith, L. E.; Leahy, C. A.; Schaller, R. D.; Mirica, L. M.; Vura-Weis, J.; van der Veen, R. M. High-Spin State of a Ferrocene Electron Donor Revealed by Optical and X-Ray Transient Absorption Spectroscopy. J. Am. Chem. Soc. 2024, 146 (31), 21651–21663. https://doi.org/10.1021/jacs.4c05646. PDF

102. Na, H.; Wessel, A. J.; Kim, S.-T.; Baik, M.-H.; Mirica, L. M. Csp3–H Bond Activation Mediated by a Pd(II) Complex under Mild Conditions. Inorg. Chem. Front. 2024, 11 (14), 4415–4423. https://doi.org/10.1039/D4QI01017E. PDF

101. Wallick, R. F.; Chakrabarti, S.; Burke, J. H.; Gnewkow, R.; Chae, J. B.; Rossi, T. C.; Mantouvalou, I.; Kanngießer, B.; Fondell, M.; Eckert, S.; Dykstra, C.; Smith, L. E.; Vura-Weis, J.; Mirica, L. M.; van der Veen, R. M. Excited-State Identification of a Nickel-Bipyridine Photocatalyst by Time-Resolved X-Ray Absorption Spectroscopy. J. Phys. Chem. Lett. 2024, 15 (18), 4976–4982. https://doi.org/10.1021/acs.jpclett.4c00226. PDF

100. Bouley, B. S.; Garvey, I. J.; Na, H.; Chae, J. B.; Mirica, L. M. Anagostic Axial Interactions Inhibit Cross-Coupling Catalytic Activity in Square Planar Pyridinophane Nickel Complexes. ChemCatChem 2024, 16 (5), e202301677. https://doi.org/10.1002/cctc.202301677. PDF

99. Griego, L.; Chae, J. B.; Mirica, L. M. A Bulky 1,4,7-Triazacyclononane and Acetonitrile, a Goldilocks System for Probing the Role of Ni(III) and Ni(I) Centers in Cross-Coupling Catalysis. Chem. 2024, 10 (3), 867–881. https://doi.org/10.1016/j.chempr.2023.11.008. PDF

98. Yu, Z.; Blade, G.; Bouley, B. S.; Dobrucki, I. T.; Dobrucki, L. W.; Mirica, L. M. Coordination Chemistry of Sulfur-Containing Bifunctional Chelators: Toward in Vivo Stabilization of 64Cu PET Imaging Agents for Alzheimer’s Disease. Inorg. Chem. 2023, 62 (50), 20820–20833. https://doi.org/10.1021/acs.inorgchem.3c02929. PDF

97. Westawker, L. P.; Khusnutdinova, J. R.; Wallick, R. W.; Mirica, L. M. Palladium K-edge XAS studies on Controlled Ligand Systems. Inorg. Chem. 2023. 62, 51, 21128–21137. https://doi.org/10.1021/acs.inorgchem.3c03032. PDF

96. C. H. Hu, J. B. Chae, L. M. Mirica. Improved Synthesis of Chiral 1,4,7-Triazacyclononane Derivatives and Their Application in Ni-catalyzed Csp3-C(sp3) Kumada Cross-coupling. Helv. Chim. Acta2024, 107, e202300170. https://doi.org/10.1002/hlca.202300170. PDF

Scott Denmark 70th Birthday Special Collection

95. Blade, G.; Wessel, A. J.; Terpstra K.; Mirica, L. M.* Pentadentate and Hexadentate Pyridinophane Ligands Support Reversible Cu(II)/Cu(I) Redox Couples. Inorganics. 2023, 11, 11, 446. https://doi.org/10.3390/inorganics11110446. PDF

Special issue on the bioinorganic chemistry of copper.

94. Chakrabarti, S; Woods, T. J.; Mirica, L. M.* Insights into the Mechanism of CO2 Electroreduction by Molecular Palladium-Pyridinophane Complexes. Inorg. Chem. 2023, 62, 41, 16801–16809. https://doi.org/10.1021/acs.inorgchem.3c02236. PDF

93.  Yu, Z.; Moshood, Y.; Wozniak, M. K.; Patel, S.; Terpstra, K.; Llano, D. A.; Dobrucki, L. W.; Mirica, L. M.;* Amphiphilic Molecules Exhibiting Zwitterionic Excited-State Intramolecular Proton Transfer and Near-Infrared Emission for the Detection of Amyloid β Aggregates in Alzheimer’s Disease. Chem. Eur. J. 2023, 29, e202302408. https://doi.org/10.1002/chem.202302408. PDF

92. DiMucci, I. M.; Titus, C. J.; Nordlund, D.; Bour, J. R.; Chong, E.; Grigas, D. P.; Hu, C.-H.; Kosobokov, M. D.; Martin, C. D.; Mirica, L. M.; Nebra, N.; Vicic, D. A.; Yorks, L. L.; Yruegas, S.; MacMillan, S. N.; Shearer, J.; Lancaster, K. M. Scrutinizing Formally NiIV Centers through the Lenses of Core Spectroscopy, Molecular Orbital Theory, and Valence Bond Theory. Chem. Sci. 2023, 14, 6915-6929, https://doi.org/10.1039/D3SC02001K. PDF

91. Hu, C. -H., Kim, S. -T., Baik, M. -H., Mirica, L. M. Nickel–Carbon Bond Oxygenation with Green Oxidants via High-Valent Nickel Species, J. Am. Chem. Soc. 2023, 145, 20, 11161–11172, https://doi.org/10.1021/jacs.3c01012. PDF

90.  Torabi, S.-F.; Wu, Y.; Lake, R. J.; Hong, S.; Yu, Z.; Wu, P.; Yang, Z.; Ihms, H.; Nelson, N.; Guo, W.; Pawel, G. T.; Van Stappen, J.; Shao, X.; Mirica, L. M.; Lu, Y.* Simultaneous Fe2+/3+ imaging shows Fe3+ over Fe2+ enrichment in Alzheimer’s disease mouse brain, Sci. Adv. 2023, 9, 16, 1-14, eade7622, https://doi.org/10.1126/sciadv.ade7622. PDF

News Release (UT Austin, College of Natural Sciences): https://cns.utexas.edu/news/research/newfound-link-between-alzheimers-and-iron-could-lead-new-medical-interventions

89.  Bouley, B. S.; Tang, F.; Bae, D. Y.; Mirica, L. M.,* C-H Bond Activation via Concerted Metalation-Deprotonation at a Palladium(III) Center, submitted. Chem. Sci. 2023, 14, 3800-3808, https://doi.org/10.1039/D3SC00034F. PDF

88.  Chakrabarti, S.; Sinha, S.; Tran, G. N.; Na, H.; Mirica, L. M.;* Characterization of Paramagnetic States in an Organometallic Nickel Hydrogen Evolution Electrocatalyst, Nat. Commun. 2023, 14, 905. https://doi.org/10.1038/s41467-023-36609-7. PDF

News release (Illinois News Bureau): https://news.illinois.edu/view/6367/25067302

87.  Terpstra, K.; Wang, Y.; Huynh, T. T.; Bandara, N.; Cho, H.-J.; Rogers, B. E.;* Mirica, L. M.* Divalent 2-(4-Hydroxyphenyl)benzothiazole Bifunctional Chelators for 64Cu PET Imaging in Alzheimer’s Disease, Inorg. Chem., 2022, 61, 20326–20336, https://doi.org/10.1021/acs.inorgchem.2c02740. PDF

86.  Yu, Z.; Guo, W.; Patel, S.; Cho, H.-J.; Sun, L.; Mirica, L. M.;* Amphiphilic Stilbene Derivatives Attenuate the Neurotoxicity of Soluble Aβ42 Oligomers by Controlling Their Interactions with Cell Membranes. Chem. Sci, 2022, 13, 12818-12830, https://doi.org/10.1039/D2SC02654F. PDF

85.  Tran, G. N.; Bouley, B. S.; Mirica, L. M.,* Isolation and Catalytic Reactivity of Mononuclear Palladium(I) Complexes. J. Am. Chem. Soc., 2022, 144, 20008-20015, https://doi.org/10.1021/jacs.2c08765. PDF

84.  Wang, Y.-C.; Rath, N. P., Mirica, L. M.* Allylic Amination of Pd(II)-Allyl Complexes via High-Valent Pd Intermediates. Organometallics, 2022, 41, 2067–2076, https://doi.org/10.1021/acs.organomet.2c00215. PDF

83.  Griego, L.; Woods, T. J.; Mirica, L. M.,* A Five-Coordinate Ni(I) Complex Supported by 1,4,7-Triisopropyl-1,4,7-triazacyclononane. Chem. Comm., 2022, 58, 7360-7363, https://doi.org/10.1039/d2cc02516g. PDF

82.  Iyer, R. R.; Renteria, C. A.; Yang, L.; Sorrells, J. E.; Park, J.; Sun, L.; Yu, Z.; Huang, Y.; Marjanovic, M.; Mirica, L. M.; Boppart, S. A.,* Tracking the binding of multi-functional fluorescent tags for Alzheimer’s disease using quantitative multiphoton microscopy. J. Biophotonics, 2022, 15, e202200105, https://doi.org/10.1002/jbio.202200105. PDF

81.  Huynh, T. T.; Wang, Y.; Terpstra, K.; Cho, H.-J.; Mirica, L. M.;* Rogers, B. E.* 68Ga-Labeled Benzothiazole Derivatives for Imaging Aβ Plaques in Cerebral Amyloid Angiopathy. ACS Omega, 2022, 7, 20339-20346, https://doi.org/10.1021/acsomega.2c02369. PDF

80.  Rana, M.; Cho, H.-J.; Arya, H.; Bhatt, T.; Bhar, K.; Bhatt, S.; Mirica, L. M.; Sharma, A. K.,* Novel Azo-Stilbene and Pyridine-Amine Hybrid Multifunctional Molecules to Target Metal Mediated Neurotoxicity and Amyloid-β Aggregation in Alzheimer’s disease. Inorg. Chem, 2022, 61, 10294-10309, https://doi.org/10.1021/acs.inorgchem.2c00502. PDF

79.  Huang, Y.; Sun, L.; Mirica, L. M.,* Turn-on Fluorescent Sensors for Cu-rich Amyloid β Peptide Aggregates. Sens. Diagn., 2022, 1, 709-713, https://doi.org/10.1039/D2SD00028H. PDF

Graphical abstract: Turn-on fluorescent sensors for Cu-rich amyloid β peptide aggregates

78.  Huang, Y.; Huynh, T. T.; Sun, L.; Hu, C.-H.; Wang, Y.-C.; Rogers, B. E.;* Mirica, L. M.,* Neutral Ligands as Potential 64Cu Chelators for Positron Emission Tomography Imaging Applications in Alzheimer’s Disease. Inorg. Chem., 2022, 61, 4778−4787, https://doi.org/10.1021/acs.inorgchem.2c00621. PDF

77.  Wang, Y.; Huynh, T. T.; Bandara, N.; Cho, H.-J.; Rogers, B. E.; Mirica, L. M.,* 2-(4-Hydroxyphenyl)benzothiazole Dicarboxylate Ester TACN Chelators for 64Cu PET imaging in Alzheimer’s Disease. Dalton Trans. 2022, 51, 1216-1224, https://doi.org/10.1039/D1DT02767K. PDF

76. Na, H.; Mirica, L. M.,* Deciphering the mechanism of the Ni-photocatalyzed C‒O cross-coupling reaction using a tridentate pyridinophane ligand. Nat. Commun., 2022, 13, 1313, https://doi.org/10.1038/s41467-022-28948-8. PDF

Behind the paper (from Nature Portfolio Chemistry Community): https://chemistrycommunity.nature.com/posts/deciphering-the-mechanism-of-the- ni-photocatalyzed-c-o-cross-coupling-reaction-using-a-tridentate-pyridinophane-ligand

75.  Magallon, C.; Griego, L.; Hu, C. H.; Company, A;* Ribas, X.;* Mirica, L. M.,* Organometallic Ni(II), Ni(III), and Ni(IV) Complexes Relevant to Carbon-Carbon and Carbon-Oxygen Bond Formation Reactions. Inorg. Chem. Front., 2022, 9, 1016-1022, https://doi.org/10.1039/D1QI01486B. PDF

74.  Sinha, S.; Tran, G. N.; Na, H.; Mirica, L. M.;* Electrocatalytic H2 Evolution Promoted by a Bioinspired (N2S2)Ni(II) Complex. Chem. Comm., 2022, 58, 1143–1146, https://doi.org/10.1039/D1CC05139C. PDF

73.  Wang, Y.; Huynh, T. T.; Cho, H.-J.; Wang, Y.-C.; Rogers, B. E.;* Mirica, L. M.,* Amyloid β-Binding Bifunctional Chelators with Favorable Lipophilicity for 64Cu Positron Emission Tomography Imaging in Alzheimer’s Disease. Inorg. Chem. 2021, 60, 12610–12620, https://doi.org/10.1021/acs.inorgchem.1c02079. PDF

72.  S. H. Gardner, C. J. Brady, C. Keeton, A. K. Yadav, S. C. Mallojjala, M. Y. Lucero, S. Su, Z. Yu, J. S. Hirschi, L. M. Mirica, J. Chan,* A General Approach to Convert Hemicyanine Dyes into Highly Optimized Photoacoustic Scaffolds for Analyte Sensing. Angew. Chem. Int. Ed. 202160, 18860-18865, https://doi.org/10.1002/anie.202105905. PDF

71.  Na, H., Watson, M. B., Tang, F., Rath, N. P., Mirica, L. M.* Photoreductive Chlorine Elimination from a Ni(III)Cl2 Complex Supported by a Tetradentate Pyridinophane Ligand. Chem. Comm., 2021, 57, 7264-7267, https://doi.org/10.1039/D1CC02114A. PDF

70.  Sun, L.; Cho, H.-J.; Sen, S.; Arango, A. S.; Bandara, N.; Huang, Y.; Huynh, T. T.; Rogers, B. E.; Tajkhorshid, E.; Mirica, L. M.,* Amphiphilic Distyrylbenzene Derivatives as Potential Therapeutic and Imaging Agents for the Soluble Amyloid-β Oligomers in Alzheimer’s Disease. J. Am. Chem. Soc. 2021, 143, 10462-10476, https://doi.org/10.1021/jacs.1c05470. PDF

69.  Sinha, S.; Mirica, L. M.,* Electrocatalytic O2 Reduction by an Organometallic Pd(III) Complex via a Binuclear Pd(III) Intermediate. ACS Catal. 2021, 11, 5202-5211, https://doi.org/10.1021/acscatal.0c05726. PDF

68.  Fuchigami, K.; Watson, M. B.; Tran, G. N.; Rath, N. P.; Mirica, L. M.,* Synthesis and Reactivity of (N2P2)Ni Complexes Stabilized by a Diphosphonite Pyridinophane Ligand. Organometallics 2021, 40,2283–2289, https://doi.org/10.1021/acs.organomet.1c00003. PDF

67.  Heberer, N.; Hu, C.-H.; Mirica, L. M.,* 6.09 – High-Valent Ni Coordination Compounds. In Comprehensive Coordination Chemistry III, Constable, E. C.; Parkin, G.; Que Jr, L., Eds. Elsevier: Oxford, 2021; pp 348, https://doi.org/10.1016/B978-0-08-102688-5.00104-5. PDF

66.  Chakrabarti, S.; Sinha, S.; Mirica, L. M.,* 6.10 – High-Valent Pd Coordination Compounds. In Comprehensive Coordination Chemistry III, Constable, E. C.; Parkin, G.; Que Jr, L., Eds. Elsevier: Oxford, 2021; pp 375, https://doi.org/10.1016/B978-0-08-102688-5.00105-7. PDF

65.  Berry, J. F.;* Mirica, L. M.,* 6.01 – Transition Metal Groups 9–11: An Introduction. In Comprehensive Coordination Chemistry III, Constable, E. C.; Parkin, G.; Que Jr, L., Eds. Elsevier: Oxford, 2021; pp 1, https://doi.org/10.1016/B978-0-08-102688-5.00119-7. PDF

64.  Cho, H.-J.; Huynh, S.; Rogers, B. E.;* Mirica, L. M.;* “Successful Design of a Multivalent Bifunctional Chelator for Diagnostic 64Cu PET Imaging in Alzheimer’s Disease”, Proc. Natl. Acad. Sci. U.S.A., 2020, 117, 30928-30933, https://doi.org/10.1073/pnas.2014058117. PDF

Highlighted in Synfacts: Trauner, D.; Ko, T., PET Imaging of Alzheimer’s Disease With a 64Cu Multivalent Bifunctional Chelator. Synfacts 2021, 17, 0337, https://doi.org/10.1055/s-0040-1719408. Altmetric: https://pnas.altmetric.com/details/94868835

63.  Luo, J.; Tran, G. N.; Rath, N. P.; Mirica, L. M.* “Detection and Characterization of Mononuclear Pd(I) Complexes Supported by N2S2 and N4 Tetradentate Ligands”, Inorg. Chem. 2020, 59, 15659–15669, https://doi.org/10.1021/acs.inorgchem.0c01938. PDF

62.  Sun L.; Sharma, A. K.; Han, B. H.; Mirica, L. M.;* “Amentoflavone: A Bifunctional Metal Chelator that Controls the Formation of Neurotoxic Soluble Aβ42 Oligomers”, ACS Chem. Neurosci. 2020, 11, 2741–2752, https://doi.org/10.1021/acschemneuro.0c00376, PMID: 32786307, NIHMSID 1646840. PDF

61.  Huang, Y.; Cho, H.-J.; Bandara, N.; Sun, L.; Tran, D.; Rogers, B. E.;* Mirica, L. M.;* “Metal-Chelating Benzothiazole Multifunctional Compounds for the Modulation and 64Cu PET Imaging of Aβ Aggregation”, Chem. Sci. 2020, 11, 7789-7799, https://doi.org/10.1039/d0sc02641g. PDF

Featured on the back cover of the issue.

60.  Schultz, J. W.; Rath, N. P.; Mirica, L. M., Improved Oxidative C–C Bond Formation Reactivity of High-Valent Pd Complexes Supported by a Pseudo-Tridentate Ligand. Inorg. Chem. 2020, 59, 11782-11792, https://doi.org/10.1021/acs.inorgchem.0c01763. PDF

59.  Cho, H.-J.; Sharma, A. K.; Zhang, Y.; Gross, M. L.; Mirica, L. M.;* “A Multifunctional Chemical Agent as an Attenuator of Amyloid and Tau Burden and Neuroinflammation in Alzheimer’s Disease”, ACS Chem. Neurosci. 2020, 11, 1471–1481, https://doi.org/10.1021/acschemneuro.0c00114, PMID 32310630, NIHMSID 1646839; Altmetric: https://acs.altmetric.com/details/80230580. PDF

58.  Mirica, L. M.;* Smith, S. M.; Griego, L. “Organometallic Chemistry of High-Valent Ni(III) and Ni(IV) Complexes”, invited book chapter in Nickel Catalysis in Organic Synthesis: Methods and Reactions, Ed. S. Ogoshi, Wiley-VCH, 2019, https://doi.org/10.1002/9783527813827.ch10. PDF

57.  Smith, S. M.; Planas, O.; Gómez, L.; Rath, N. P.; Ribas, X.; Mirica, L. M.;*  “Aerobic C–C and C–O Bond Formation Reactions Mediated by High-Valent Nickel Species”, Chem. Sci., 2019, 10, 10366–10372, https://doi.org/10.1039/c9sc03758f. PDF

Graphical abstract: Aerobic C–C and C–O bond formation reactions mediated by high-valent nickel species

56.  Smith, S. M.; Rath, N. P.; Mirica, L. M.;* “Axial Donor Effects on Oxidatively Induced Ethane Formation from Nickel–Dimethyl Complexes”, Organometallics, 2019, 38, 3602-3609, https://doi.org/10.1021/acs.organomet.9b00438. PDF

55.  Ruhs, N. P.; Khusnutdinova, J. R.; Rath, N. P.; Mirica, L. M.;* “Mononuclear Organometallic Pd(II), Pd(III), and Pd(IV) Complexes Stabilized by a Pyridinophane Ligand with a C-Donor Group”, Organometallics, 2019, 38, 3834-3843, https://doi.org/10.1021/acs.organomet.9b00505. PDF

54.  Tang, F; Park, S.; Rath, N. P.; Mirica, L. M.;* “Electronic versus Steric Effects of Pyridinophane Ligands in Pd(III) Complexes”, Dalton Trans., 2018, 47, 1151-1158, https://doi.org/10.1039/c7dt04366j. PDF

Graphical abstract: Electronic versus steric effects of pyridinophane ligands on Pd(iii) complexes

53.  Rana, M.; Cho, H.-J.; Roy, T. K.; Mirica, L. M.; Sharma, A. K.;* “Azo-dyes based small bifunctional molecules for metal chelation and controlling amyloid formation”, Inorg. Chim. Acta, 2018, 471, 419-429, https://doi.org/10.1016/j.ica.2017.11.029, PMID: 30344337, PMCID: PMC6191838. PDF

52.  Wessel, A. J.; Schultz, J. W.; Tang, F; Duan, H.; Mirica, L. M.;* “Improved Synthesis of Symmetrically & Asymmetrically N-Substituted Pyridinophane Derivatives”, Org. & Biomol. Chem., 2017, 15, 9923 – 9931, https://doi.org/10.1039/c7ob02508d. PDF

Graphical abstract: Improved synthesis of symmetrically & asymmetrically N-substituted pyridinophane derivatives

51.  Sharma, A. K.; Schultz, J. W.; Prior, J. T.; Rath, N. P.; Mirica, L. M.;* “The Coordination Chemistry of Bifunctional Chemical Agents Designed for Applications in 64Cu PET Imaging for Alzheimer’s Disease”, Inorg. Chem., 2017, 56, 13801-13814, https://doi.org/10.1021/acs.inorgchem.7b01883, PMID: 29112419, PMCID: PMC5698879. PDF

50.  Bandara, N.;# Sharma, A. K.;# Krieger, S.; Schultz, J. W.; Han, B. H.; Rogers, B. E.;* Mirica, L. M.;* “Evaluation of 64Cu-Based Radiopharmaceuticals that Target Aβ Peptide Aggregates as Diagnostic Tools for Alzheimer’s Disease”, J. Am. Chem. Soc., 2017, 139, 12550-12558, https://doi.org/10.1021/jacs.7b05937, PMID: 28823165, PMCID: PMC5677763. PDF

49.  Fuchigami, K.; Rath, N. P.; Mirica, L. M.* “Mononuclear Rhodium(II) and Iridium(II) Complexes Supported by Tetradentate Pyridinophane Ligands”, Inorg. Chem., 2017, 56, 9404-9408, https://doi.org/10.1021/acs.inorgchem.7b01619. PDF

48.  Cascella, B.; Lee, S. G.; Singh, S.; Jez, J. M.;* Mirica, L. M.* “The small molecule JIB-04 disrupts O2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A” Chem. Comm. 2017, 53, 2174-2177; https://doi.org/10.1039/c6cc09882g. PDF

Graphical abstract: The small molecule JIB-04 disrupts O2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A

47.  Mendez, D. L.; Babbitt, S. E.; King, J. D.; D’Alessandro, J.; Watson, M. B.; Blankenship, R. E.; Mirica, L. M.; Kranz, R. G.* “Engineered holocytochrome c synthases that biosynthesize new cytochromes c” Proc. Natl. Acad. Sci. U. S. A. 2017, 114, 2235-2240, https://doi.org/10.1073/pnas.1615929114. PDF

Fig. 1.

46.  Waston, M. B.; Rath, N. P.; Mirica, L. M.* “Oxidative C-C Bond Formation Reactivity of Organometallic Ni(II), Ni(III), and Ni(IV) Complexes”, J. Am. Chem. Soc., 2017, 139, 35-38; https://doi.org/10.1021/jacs.6b10303. PDF

45.  Schultz, J. W.; Fuchigami. K.; Zheng, B.; Rath, N. P.; Mirica, L. M.* “Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions”, J. Am. Chem. Soc., 2016, 138, 12928-12934; https://doi.org/10.1021/jacs.6b06862. PDF

Abstract Image

44.  Zhou, W.; Watson, M. B.; Zheng, S.; Rath, N. P.; Mirica, L. M.* “Ligand effects on the properties of Ni(III) complexes: aerobically-induced aromatic cyanation at room temperature”, Dalton Trans., 2016, 137, 15886-15893; https://doi.org/10.1039/c6dt02185a. PDF

Graphical abstract: Ligand effects on the properties of Ni(iii) complexes: aerobically-induced aromatic cyanation at room temperature

43.  Orf, G. S.; Saer, R. G.; Niedzwiedzki, D. M.; Zhang, H.; McIntosh, C. L.; Schultz, J. W.; Mirica, L. M.; Blankenship, R. E.* “Evidence for a cysteine-mediated mechanism of excitation energy regulation in a photosynthetic antenna complex” Proc. Natl. Acad. Sci. U. S. A., 2016, 113, E4486-E4493, https://doi.org/10.1073/pnas.1603330113. PDF

Fig. 1.

42.  Pedrick, E. A.; Schultz, J. W.; Wu, G.; Mirica, L. M.; Hayton, T. W.* “Perturbation of the O–U–O Angle in Uranyl by Coordination to a 12-Membered Macrocycle”, Inorg. Chem., 2016, 55, 5693-5701; https://doi.org/10.1021/acs.inorgchem.6b00799. PDF

41.  Zhou, W.; Zheng, S.; Schultz, J. W.; Rath, N. P.; Mirica, L. M.* “Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III)”, J. Am. Chem. Soc., 2016, 138, 5777-5780; https://doi.org/10.1021/jacs.6b02405. PDF

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40.  Zhou, W.; Rath, N. P.; Mirica, L. M.* “Oxidatively-induced aromatic cyanation mediated by Ni(III)”, Dalton Trans., 2016, 137, 8693-8695; https://doi.org/10.1039/c6dt00064a. PDF

39.  Zhou, W.; Schultz, J. W.; Rath, N. P.; Mirica, L. M.* “Aromatic Methoxylation and Hydroxylation by Organometallic High-Valent Nickel Complexes”, J. Am. Chem. Soc., 2015, 137, 7604-7607; https://doi.org/10.1021/ jacs.5b04082. PDF

38. Tang, F.; Rath, N. P.; Mirica, L. M.* “Stable Bis(trifluoromethyl)Nickel(III) Complexes”, Chem. Comm., 2015, 51, 3113-3116; https://doi.org/10.1039/c4cc09594d. PDF

Graphical abstract: Stable bis(trifluoromethyl)nickel(iii) complexes

37.  Khusnutdinova, J. R.; Rath, N. P.; Mirica, L. M.* “The Conformational Flexibility of the Tetradentate Ligand tBuN4 is Essential for the Stabilization of (tBuN4)PdIII Complexes”, Inorg. Chem., 2014, 53, 13112-13129, https://doi.org/10.1021/ic5023054. PDF

36.  Sharma, A. K.; Kim, J.; Prior, J. T.; Hawco, N. J.; Rath, N. P.; Kim, J.; Mirica, L. M.;* “Small Bifunctional Chelators that Do Not Disaggregate Amyloid β Fibrils Exhibit Reduced Cellular Toxicity”, Inorg. Chem., 2014, 53, 11367-11376, https://doi.org/10.1021/ic500926c. PDF

35.  Zheng, B.; Tang, F.; Luo, J.; Schultz, J. W.; Rath, N. P.; Mirica, L. M.* “Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions”, J. Am. Chem. Soc., 2014, 136, 6499-6504; https://doi.org/10.1021/ja5024749. PDF

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34.  Qu, F.; Khusnutdinova, J. R.; Rath, N. P.; Mirica, L. M.* “Dioxygen Activation by an Organometallic Pd(II) Precursor: Formation of a Pd(IV)-OH Complex and Its C-O Bond Formation Reactivity”, Chem. Comm., 2014, 50, 3036-3039; https://doi.org/10.1039/c3cc49387c. PDF

Graphical abstract: Dioxygen activation by an organometallic Pd(ii) precursor: formation of a Pd(iv)–OH complex and its C–O bond formation reactivity

33.  Sharma, A. K.; Pavlova, S. T.; Kim, J.; Kim, J.; Mirica, L. M.;* “The Effect of Cu2+ and Zn2+ on the Ab42 Peptide Aggregation and Cellular Toxicity”, Metallomics, 2013, 5, 1519-1526; https://doi.org/10.1039/c3mt00161j. PDF

Graphical abstract: The effect of Cu2+ and Zn2+ on the Aβ42 peptide aggregation and cellular toxicity

32.  Zhang, Y.; Rempel, D. L.; Zhang, J.; Sharma, A. K.; Mirica, L. M.;* Gross M. L.* “Pulsed hydrogen-deuterium exchange mass spectrometry probes conformational changes in amyloid beta (Aβ) peptide aggregation”, Proc. Natl. Acad. Sci. U. S. A., 2013, 110, 14604-14609; https://doi.org/10.1073/pnas.1309175110. PDF

Fig. 1.

31.  Khusnutdinova, J. R.; Mirica, L. M.* “Organometallic Pd(III) Complexes in C-C and C-Heteroatom Bond Formation Reactions”, invited book chapter in C-H Activation and Functionalization, Transition Metal Mediation, Ed. Ribas, X., Royal Society of Chemistry, 2013; https://doi.org/10.1039/9781849737166-00122. PDF

Book cover

30.  Luo, J.; Rath, N. P.; Mirica, L. M.* “Oxidative Reactivity of (N2S2)PdRX Complexes (R = Me, Cl; X = Me, Cl, Br): Involvement of Palladium(III) and Palladium(IV) Intermediate”, Organometallics, 2013, 32, 3343-3353; https://doi.org/10.1021/om400286j. PDF

29.  Khusnutdinova, J. R.; Luo, J.; Rath, N. P.; Mirica, L. M.* “Late First Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications”, Inorg. Chem., 2013, 52,3920-3932, https://doi.org/10.1021/ic400260z. PDF

28.  Mirica, L. M.;* Khusnutdinova, J. R., “Structure and Electronic Properties of Pd(III) Complexes”, Coord. Chem. Rev., 2013, 257, 299-314. https://doi.org/10.1016/j.ccr.2012.04.030. PDF

27.  Cascella, B.; Mirica, L. M.* “Kinetic Analysis of Iron-Dependent Histone Demethylases: a-Ketoglutarate Substrate Inhibition and Potential Relevance to the Regulation of Histone Demethylation in Cancer Cells”, Biochemistry, 2012, 51, 8699-8701, https://doi.org/10.1021/bi3012466. PDF

26.  Tang, F.; Qu, F.; Khusnutdinova, J. R.; Rath, N. P.; Mirica, L. M.* “Structural and Reactivity Comparison of Analogous Organometallic Pd(III) and Pd(IV) Complexes”, Dalton Trans., 2012, 41, 14046-14050, https://doi.org/10.1039/C2DT32127K. PDF

Graphical abstract: Structural and reactivity comparison of analogous organometallic Pd(iii) and Pd(iv) complexes

25.  Tang, F.; Zhang, Y.; Rath, N. P.; Mirica, L. M.* “Detection of Pd(III) and Pd(IV) Intermediates during the Aerobic Oxidative C-C Bond Formation from a Pd(II) Dimethyl Complex”, Organometallics, 2012, 31, 6690-6696. https://doi.org/10.1021/om300752w. PDF

24.  Khusnutdinova, J. R.; Qu, F.; Zhang, Y.; Rath, N. P.; Mirica, L. M.* “Formation of the Pd(IV) Complex [(Me3tacn)PdIVMe3]+ through Aerobic Oxidation of (Me3tacn)PdIIMe2 (Me3tacn = N,N’,N’’-trimethyl-1,4,7-triazacyclononane)”, Organometallics, 2012, 31, 4627-4630,https://doi.org/10.1021/om300426r. PDF

Featured on the cover of issue 13

23.  Evangelio, E.; Rath, N. P.; Mirica, L. M.* “Cycloaddition Reactivity Studies of First Row Transition Metal-Azide Complexes and Alkynes: An Inorganic Click Reaction for Metalloenzyme Inhibitor Synthesis”, Dalton Trans., 2012, 41, 8010-8021, https://doi.org/10.1039/c2dt30145h. Invited contribution for the “New Talent Americas” issue. PDF

Graphical abstract: Cycloaddition reactivity studies of first-row transition metal–azide complexes and alkynes: an inorganic click reaction for metalloenzyme inhibitor synthesis

22.  Sharma, A. K.; Pavlova, S. T.; Kim, J.; Finkelstein, D.;Hawco, N. J.; Rath, N. P.; Kim, J.; Mirica, L. M.* “Bifunctional Metal-Binding Compounds for Controlling the Metal-Mediated Aggregation of the Ab42 Peptide”, J. Am. Chem. Soc., 2012, 134, 6625-6636, https://doi.org/10.1021/ja210588m. PDF

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21.  Khusnutdinova, J. R.; Rath, N. P.; Mirica, L. M.* “The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate”, J. Am. Chem. Soc., 2012, 134, 2414-2422, https://doi.org/10.1021/ja210841f. PDF

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20.  Luo, J.; Khusnutdinova, J. R.; Rath, N. P.; Mirica, L. M.* “Unsupported d8-d8 Interactions in Cationic PdII and PtII Complexes: Evidence for a Significant Metal-Metal Bonding Character”, Chem. Comm., 2012, 48, 1532-1534, https://doi.org/10.1039/c1cc15420f. Invited contribution for the “Emerging Investigators” issue. PDF

Graphical abstract: Unsupported d8–d8 interactions in cationic PdII and PtII complexes: evidence for a significant metal–metal bonding character

19. Luo, J.; Rath, N. P.; Mirica, L. M.* “Dinuclear Co(II)Co(III) Mixed-Valence and Co(III)Co(III) Complexes with N- and O- Donor Ligands: Characterization and Water Oxidation Studies”, Inorg. Chem., 2011, 50,6152-6157, https://doi.org/10.1021/ic201031s. PDF

18. Khusnutdinova, J. R.; Rath, N. P.; Mirica, L. M.* “Dinuclear Pd(III) Complexes with a Single Unsupported Bridging Halide Ligand: Reversible Formation from Mononuclear Pd(II) or Pd(IV) Precursors”, Angew. Chem. Int.Ed., 2011, 50, 5532-5536, https://doi.org/10.1002/anie.201100928. PDF

image

17.  Khusnutdinova, J. R.; Rath, N. P.; Mirica, L. M.* “Stable Mononuclear Organometallic Pd(III) Complexes and Their C-C Bond Formation Reactivity”, J. Am. Chem. Soc., 2010, 132, 7303-7305; https://doi.org/10.1021/ja103001g. Featured as “News of the Week” in Chem. & Eng. News, 2010, 88, 21, 9. PDF

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Publications from Postdoctoral & Ph.D. Studies

16. Verma, P.; Weir, J.; Mirica, L. M.; Stack, T. D. P.* “Tale of a Twist: Magnetic and Optical Switching in Copper(II) Semiquinone Complexes”, Inorg. Chem., 2011, 50,9816-9825; https://doi.org/10.1021/ic200958g, PMID: 2169132. PDF

15.  Op’t Holt, B. T.; Vance, M. A.; Mirica, L. M.; Heppner, D. E.; Stack, T. D. P.,* Solomon E. I.* “Reaction Coordinate of a Functional Model of Tyrosinase: Spectroscopic and Computational Characterization”, J. Am. Chem. Soc., 2009, 131, 6421-6438; https://doi.org/10.1021/ja807898h. PDF

14. Humphreys, K. J.; Mirica, L. M.; Wang Y.; Klinman, J. P.* “Galactose Oxidase as a Model for Reactivity at a Copper Superoxide Center”, J. Am. Chem. Soc.2009131, 4657-4663, https://doi.org/10.1021/ja807963e. PDF

13.  Mirica, L. M.; McCusker, K. P.; Munos, J. W.; Liu, H. W.; Klinman, J. P.* “Probing the Nature of Reactive Fe/O2 Intermediates in Non-Heme Iron Enzymes through 18O Kinetic Isotope Effects”, J. Am. Chem. Soc., 2008, 130, 8122-8123. https://doi.org/10.1021/ja800265s. PDF

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12.  Mirica, L. M.; Klinman, J. P.* “The Nature of O2 Activation by the Ethylene-Forming Enzyme ACC Oxidase”, Proc. Natl. Acad. Sci. U. S. A., 2008, 105, 1814-1819, https://doi.org/10.1073/pnas.0711626105. PDF

Fig. 5.

11.  Welford, R. W. D.; Lam, A.; Mirica, L. M.; Klinman, J. P.* “Partial Conversion of Hansenula polymorpha Amine Oxidase into a ‘Plant’ Amine Oxidase: Implications for Copper Chemistry and Mechanism”, Biochemistry, 2007, 46, 10817-10827, https://doi.org/10.1021/bi700943r. PDF

10.  Thrower, J. T.; Mirica, L. M.; McCusker, K. P.; Klinman, J. P.* “Mechanistic Investigations of 1-Aminocylcyclopropane 1-Carboxylic Acid Oxidase with Alternate Cyclic and Acyclic Substrates”, Biochemistry, 2006, 45, 13108-13117, https://doi.org/10.1021/bi061097q. PDF

9. Mirica, L. M.; Rudd, D. J.; Vance, M.; Solomon, E. I.;* Hedman, B.;* Hodgson, K. O.;* Stack, T. D. P.* “A mh2:h2-Peroxodicopper(II) Complex with a Secondary Diamine Ligand: A Functional Model of Tyrosinase”, J. Am. Chem. Soc., 2006, 128, 2654-2665, https://doi.org/10.1021/ja056740v. PDF

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8. Cole, A. P.; Mahadevan, V.; Mirica, L. M.; Ottenwaelder, X.; Stack, T. D. P.* “Bis(m-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity”, Inorg. Chem., 2005, 44, 7345-7364, https://doi.org/10.1021/ic050331i. PDF

7.  Yoon, J.; Mirica, L. M.; Stack, T. D. P.;* Solomon, E. I.* “Variable-Temperature Variable-Field Magnetic Circular Dichroism Studies of Tris-Hydroxy and m3-Oxo Bridged Trinuclear Cu(II) Complexes: Geometric and Electronic Structures of the Native Intermediate of Multicopper Oxidases”, J. Am. Chem. Soc., 2005, 127, 13680-13693, https://doi.org/10.1021/ja0525152. PDF

6.  Mirica, L. M.; Vance, M.; Rudd, D. J.; Hedman, B.;* Hodgson, K. O.;* Solomon, E. I.;* Stack, T. D. P.* “Tyrosinase Reactivity in a Model Complex: An Alternative Hydroxylation Mechanism”, Science, 2005, 308, 1890-1892l; https://doi.org/10.1126/science.1112081. Featured as a perspective in Science, 2005, 308, 1876-1877 (https://doi.org/10.1126/science.1113708) and a science concentrate in Chem. & Eng. News, 2005, 83, 26, 38. PDF

5.  Mirica, L. M.; Stack, T. D. P. * “A Tris(m-hydroxy)tricopper(II) Complex as a Model of the Native Intermediate in Laccase and Its Relationship to a Binuclear Analogue”, Inorg. Chem., 2005, 44, 2131-2133, https://doi.org/10.1021/ic048182b. PDF

4.  Pratt, R. C.; Mirica, L. M.; Stack, T. D. P.* “Snapshots of a Metamorphosing Cu(II) Ground State in a Galactose Oxidase-Inspired Complex”, Inorg. Chem., 2004, 43, 8030-8039, https://doi.org/10.1021/ic048904z. PDF

3.  Yoon, J.; Mirica, L. M.; Stack, T. D. P.;* Solomon, E. I.* “Spectroscopic Demonstration of a Large Antisymmetric Exchange Contribution to the Spin-Frustrated Ground State of a D3 Symmetric Hydroxy-Bridged Trinuclear Cu(II) Complex: Ground-to-Excited State Superexchange Pathways”, J. Am. Chem. Soc., 2004, 126, 12586-12595, https://doi.org/10.1021/ja046380w. PDF

2.  Mirica, L. M.; Ottenwaelder, X.; Stack, T. D. P.* “Structure and Spectroscopy of Copper–Dioxygen Complexes”, Chem. Rev., 2004, 104, 1013-1046, https://doi.org/10.1021/cr020632z. PDF

1.  Mirica, L. M.; Vance, M.; Rudd, D. J.; Hedman, B.;* Hodgson, K. O.;* Solomon, E. I.;* Stack, T. D. P.* “A Stabilized mh2:h2-Peroxodicopper(II) Complex with a Secondary Diamine Ligand and Its Tyrosinase-like Reactivity”, J. Am. Chem. Soc. 2002, 124, 9332-9333, https://doi.org/10.1021/ja026905p. PDF

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Patents

3. Mirica, L. M.; Yu, Z. Amphiphilic Compounds for Attenuating Neurotoxicity of Amyloid-beta Oligomers and Diagnostic Methods. U.S. Patent provisional application no.­­­­­ 63/389,270, filing date: July 14, 2022.

2. Mirica, L. M.; Na, H., Tridentate Macrocyclic Compounds. U.S. Patent No. 11827653, issued November 28, 2023. PDF

1. Mirica, L. M.; Sharma, A. K.; Schultz, J. W. Metal-Binding Bifunctional Compounds as Diagnostic Agents for Alzheimer’s Disease. U.S. Patent No. 9422286, issued August 23, 2016. PDF