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 2025, 30, 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. Commun. 16, 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. Acta. 2024, 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
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. 2021, 60, 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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., 2009, 131, 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
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
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 m–h2: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
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 m–h2: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
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