{"id":1197,"date":"2023-07-05T16:09:39","date_gmt":"2023-07-05T23:09:39","guid":{"rendered":"https:\/\/int-shafaatlab.chem.ucla.edu\/?page_id=1197"},"modified":"2026-02-15T22:23:58","modified_gmt":"2026-02-16T06:23:58","slug":"publications","status":"publish","type":"page","link":"https:\/\/shafaatlab.chem.ucla.edu\/?page_id=1197","title":{"rendered":"Publications"},"content":{"rendered":"\n

2015-Present<\/h2>\n\n\n\n
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59. Raviprolu, V. T.; Al-Khunaizi, H.; Xie, H.; Kerr, T. A.; Woodburn, K. G.; Shafaat, H. S.; Mu, X.; Spokoyny, A. M. Boron-Centered Proton-Coupled Electron Transfer. ChemRxiv. <\/em>2026<\/strong>. DOI: 10.26434\/chemrxiv.10002050\/v1. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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58. Lin, H.; Eden, G. A.; Shafaat, H. S.; Nava, M. Origin of Red Emission in Protein-Stabilized Copper Nanoparticles: Evidence for Cu(I)-Metallothionein-Like Cluster Formation. J. Phys. Chem. B. <\/em>2026<\/strong>, 130, 1024-1034. DOI: 10.1021\/acs.jpcb.5c07354. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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57. Teptarakulkarn, P. H.; Trevino, R. E.; Hansen, A. L.; Laureanti, J. A.; Buchko, G. W.; Shaw, W. J.; Shafaat, H. S. Correlating Protein Dynamics and Catalytic Activity of a Model Hydrogenase Using Paramagnetic and Biological Nuclear Magnetic Resonance Spectroscopy. J. Am. Chem. Soc.<\/em> 2026<\/strong>, 148, 2351-2364. DOI: 10.1021\/jacs.5c15958. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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56. Adhami, N.; Rebelo, M.; Teptarakulkarn, P.; Ando, S.; Olivares, E.; Goff, T.; Raviprolu, V. T.; Munoz, A.; Sawaya, M.; Han, D.; Vlahakis, N.; Qu, S.; Kerr, T.; Coutinho, R.; Loo, R.; Loo, J.; Shafaat, H.; Rodriguez, J.; Spokoyny, A. Site-selective Au(III)-mediated metalloenzyme conjugations. ChemRxiv. <\/em>2025<\/strong>. DOI: 10.26434\/chemrxiv-2025-z5kt1. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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55. Murali, S.; Hu, G-B.; Kreisler, D. F.; Carriedo, A. A.; Lewis, L. C.; Fosu, S. A.; Weaver, O. g.; Buzas, E. M.; Byerly, K. M.; Yoshikuni, Y.; McSweeney, S.; Shafaat, H. S.; North, J. A. Architecture, catalysis and regulation of methylthio-alkane reductase for bacterial sulfur acquisition from volatile organic compounds. Nat. Catal. <\/em>2025<\/strong>, 8<\/strong>, 1072\u20131085. DOI: 10.1038\/s41929-025-01425-3. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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54. Ford, J.; Goring, A. K.; Lee, Y.; Chen, M.; Mahoney, B. J.; Sawaya, M. R.; Shafaat, H. S.; Loo, J. A.; Clubb, R. T. Structural basis of heme scavenging by the ChtA and HtaA homophones in Corynebacterium diphtheriae. J. Biol. Chem<\/em>. 2025<\/strong>, 301(10), 110633. DOI: 10.1016\/j.jbc.2025.110633. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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53. Vallapurackal, J.; Mandal, R.; Bossenbroaek, J.; Rubio, A. V.; Paladian, E.; Collings, J. D.; Torres, C.; Hendrickson, M.; Morales, J.; Lyons, M. B.; Schultz, K.; Shafaat, H. S.; Houk, K. N.; Athavale, S. V.; Biocatalytic, asymmetric radical hydrogenation of un-activated alkenes. Science. <\/em>2025, <\/strong>390(6777), 1050-1056. DOI: 10.1126\/science.aea4737. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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52. Jespersen, M.; Greening, C.; Ernst, L.; Leung, P. M.; Shafaat, H. S.; Grinter, R.; Diverse Lineages and adaptations of oxygen-adapted hydrogenases. Trends in Biochemical Sciences. <\/em>2025, <\/strong>50(7), 596-609.\u00a0DOI: 10.1016\/j.tibs.2025.04.006. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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51. Rajapakse, S.; Lee, Y.; Jayawardana, S. B.; Helms, J.; Mondal, P.; Singh, A.; Pierce, B. S.; Shafaat, H. S.; Wijeratne, G. B.; Modulation of Heme Peroxo Nucleophilicities with Axial Ligands Reveal Key Insights into the Mechanistic Landscape of Nitric Oxide Synthase. Chem. Sci. <\/em>2025<\/strong>, 16, 9648-9661. DOI: 10.1039\/D4SC08701A. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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50. Gan, Y. J.; Hazel, J. M.; Searle, B. C.; Shafaat, H. S.; Selective isotope labeling probes the chemical capacity and reaction mechanism of a heterobimetallic Mn\/Fe protein. Journal of Inorganic Biochemistry. <\/em>2025<\/strong>, 270, 112933. DOI: 10.1016\/j.jinorgbio.2025.112933. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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49.<\/strong> Yerbulekova, A.; Moshood, Y.; Griego, L.; Shafaat, H. S.<\/strong>; 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. <\/em>2025<\/strong>, 147<\/em>\u00a0(9), 7317-7324. DOI: 10.1021\/jacs.4c14104. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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48.<\/strong> Wertz, A. E.; Rosenkampff, I.; Ibouanga, P.; Huber, M.; Hess, C. R.; Rudiger, O.; Shafaat, H. S.<\/strong>; A semisynthetic, multicofactor artificial metalloenzyme retains independent site activity. J. Biol. Inorg. Chem<\/em>., 2025<\/strong>, 30, 13\u201323. DOI: 10.1007\/s00775-025-02095-z. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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47.<\/strong> Saini, A.; Yerbulekova, A.; Das, C.; Kharwar, Y. P.; Wertz, A.; Majumder, P.; Shafaat, H. S.<\/strong>; Dutta, A.; Designed Metalloprotein-Driven Electrolyzer Operational in Seawater. ACS Catal. <\/em>2025<\/strong>, 15, 2620-2629. DOI: 10.1021\/acscatal.4c05775. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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46.<\/strong> Wertz, A. E.; Shafaat, H. S.<\/strong>; Developing photoactivated artificial enzymes for sustainable fuel production. Curr<\/em>. Opin. Chem. Biol. <\/em>2025<\/strong>, 84, 102553. DOI: 10.1016\/j.cbpa.2024.102553. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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45.<\/strong> Hazari, N.; Shafaat, H. S.<\/strong>; Yang, J. Y.; Transforming Highly Oxidized and Reduced Carbon Feedstocks: Strategies for Catalytic CO2 and CH4 Valorization. Acc. Chem. Res. <\/em>2024<\/strong>, 57, 3451-3453. DOI: 10.1021\/acs.accounts.4c00664. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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44.<\/strong> Weber, J. M.; McMillion, N. D.; Hegg, A. S.; Wertz, A. E.; Aliahmadi, M.; Mercado, B. Q.; Crabtree, R. H.; Shafaat, H. S.<\/strong>; Miller, A. J. M; Holland, P. K.; Isocyanide Ligation Enables Electrochemical Ammonia Formation in a Synthetic Cycle for N2 Fixation. J<\/em>. Am. Chem. Soc.<\/em> 2024<\/strong>, 146, 33595-33607. DOI: 10.1021\/jacs.4c11187. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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43. <\/strong>Wertz, A. E.; Marguet, S. C.; Turro, C.; Shafaat, H. S.<\/strong>; Targeted Modulation of Photocatalytic Hydrogen Evolution Activity by Nickel-Substituted Rubredoxin through Functionalized Ruthenium Phototriggers. Inorg<\/em>. Chem. <\/em>2024<\/strong>, 63, 43, 20438- 20928. DOI: 10.1021\/acs.inorgchem.4c02881. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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42.<\/strong> Tolbert, G. B.; Jayawardana, S. B.; Lee, Y.; Sun, J.; Qu, F.; Whitt, L. M.; Shafaat, H. S.<\/strong>; Wijeratne, G. B. Secondary Sphere Lewis Acid Activated Heme Superoxo Adducts Mimic Crucial Non-Covalent Interactions in IDO\/ITO Heme Dioxygenases. Chem. Eur. J. <\/em>2024<\/strong>, 30, e202402310. DOI: 10.1002\/chem.202402310. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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41. <\/strong>Lewis, L. C.; Sanabria-Gracia, J. A.; Lee, Y.; Jenkins, A. J.; Shafaat, H. S.<\/strong> Electronic isomerism in a heterometallic nickel-iron-sulfur cluster models substrate binding and cyanide inhibition of carbon monoxide dehydrogenase. Chemical Science<\/em> 2024<\/strong>, 15, 5916, 5928. DOI: 10.1039\/D4SC00023D. *Pick of the week and cover art feature for Issue 16 Chemical Science<\/em><\/strong> [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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40. <\/strong>Hooper, R. X.; Wertz, A. E.; Shafaat, H. S.<\/strong>; Holland, P. L.; Evaluating Diane to N2 Interconversion at Iron-Sulfur Complexes. Chem Eur J.<\/em> 2024<\/strong>, 30, 24, 1-13. DOI: 10.1002\/chem.202304072. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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39.<\/strong> Wertz, A. E.; Teptarakulkarn, P.; Stein, R. E.;\u00a0Moore, P. J.; Shafaat, H. S.\u00a0<\/strong>Rubredoxin Protein Scaffolds Sourced from Diverse Environmental Niches as an Artificial Hydrogenase Platform.\u00a0Biochemistry\u00a0<\/em>2023<\/strong>, 62, 17, 2622\u20132631. DOI: 10.1021\/acs.biochem.3c00249. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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38. Shafaat, H.S.;\u00a0<\/strong>Manesis, A.C.;\u00a0Yerbulekova, A.\u00a0How to Build a Metalloenzyme: Lessons from a Protein-Based Model of Acetyl Coenzyme A Synthase.\u00a0Accounts of Chemical Research<\/em>,\u00a02023<\/strong>, 56 (9<\/em>), 984-993. DOI: 10.1021\/acs.accounts.2c00824. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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37.<\/strong> Grinter, R.;\u00a0Kropp, A.;\u00a0Venugopal, H.;\u00a0Senger, M.;\u00a0Badley, J.;\u00a0Cabotaje, P. R.;Jia, R.;\u00a0Duan, Z.;\u00a0Huang, P.;\u00a0Stripp, S. T.;\u00a0Barlow, C.K.;\u00a0Belousoff, M.;\u00a0Shafaat, H.S.;<\/strong> Cook, G.M.;\u00a0Schittenhelm, R.B.;\u00a0Vincent, K.A.;\u00a0Khalid, S.;\u00a0Berggren, G.;\u00a0Greening, C. Structural basis for bacterial energy extraction from atmospheric hydrogen.\u00a0Nature<\/em> 2023<\/strong>, 615, 541\u2013547. DOI: 10.1038\/s41586-023-05781-7. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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36.<\/strong> Tao, W.;\u00a0Carter, S.;\u00a0Trevi\u00f1o, R.E.;\u00a0Shafaat, H.S.;\u00a0<\/strong>Zhang, S.\u00a0Reductive NO Coupling at Dicopper Center via a [Cu2(NO)2]2+ Diamond-Core Intermediate.\u00a0J. Am . Chem. Soc<\/em>.,\u00a02022<\/strong>, 144 (49<\/em>), 22633\u2013 22640. DOI: 10.1021\/jacs.2c09523. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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35.<\/strong> Manesis, A.C.;\u00a0Yerbulekova, A.; Shearer, J.;\u00a0Shafaat, H.S. <\/strong>Thioester synthesis by a designed nickel enzyme models prebiotic energy conversion.\u00a0Proceedings of the National Academy of Sciences<\/em>, U.S.A.,\u00a02022<\/strong>, 119 (30), e2123022119. DOI: 10.1073\/pnas.2123022119. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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34.<\/strong> Kisgeropoulos, E.C.;\u00a0Gan, Y.J.;\u00a0Greer, S.M.;\u00a0Hazel, J.M.; Shafaat, H.S.\u00a0<\/strong>Pulsed multifrequency EPR spectroscopy reveals key branch points for one- vs. two-electron reactivity in Mn\/Fe proteins.\u00a0J. Am . Chem. Soc<\/em>.,\u00a02022<\/strong>, 144 (27), 11991-12006. DOI: 10.1021\/jacs.1c13738. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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33.<\/strong> Shafaat, H.S.;\u00a0<\/strong>Hayton, T.W.\u00a0Periodic TableTalks: An Oasis of Science within a Conference Desert.\u00a0Inorg. Chem<\/em>., 2022<\/strong>, 61 (16<\/em>), 5965-5971.\u00a0DOI: 10.1021\/acs.inorgchem.2c01108. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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32.<\/strong> Trevi\u00f1o, R. E.;\u00a0Shafaat, H.S.\u00a0<\/strong>Protein-based models offer mechanistic insight into complex nickel metalloenzymes. Curr. Opinion in Chemical Biology,\u00a0<\/em>2022<\/strong>, 67, 102110. DOI: 10.1016\/j.cbpa.2021.102110. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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31.<\/strong> Tao, W.;\u00a0Yerbulekova, A.;\u00a0Moore, C.;\u00a0Shafaat, H.S.;<\/strong> Zhang, S.\u00a0Controlling the direction of S- nitrosation vs. denitrosation: reversible cleavage and formation of S-N bond within a dicopper center.\u00a0J. Am. Chem. Soc<\/em>.,\u00a02022<\/strong>, 144, 7, 2867\u20132872. DOI: 10.1021\/jacs.1c12799. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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30.<\/strong> Wang, H.;\u00a0Cleary, M. B.;\u00a0Lewis, L. C.;\u00a0Bacon, J. W.;\u00a0Caravan, P.; Shafaat, H. S.;\u00a0<\/strong>Gale, E. M.\u00a0Enzyme Control Over Ferric Iron Magnetostructural Properties.\u00a0Angew. Chem. Int. Ed.,\u00a0<\/em>2022<\/strong>, 61, e202114019. DOI: 10.1002\/anie.202114019. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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29.<\/strong> Shafaat, H.S.;\u00a0<\/strong>Yang, J.Y.\u00a0Uniting Biological and Chemical Strategies for Selective CO2\u00a0Reduction.\u00a0Nat. Catal.<\/em> 2021<\/strong>, 4, 928\u2013933. DOI: 10.1038\/s41929-021-00683-1. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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28. <\/strong>Lewis, L.C.;\u00a0Shafaat, H.S<\/strong>. Reversible electron transfer and substrate binding support [NiFe3S4] ferredoxin as a protein-based model for [NiFe] carbon monoxide dehydrogenase. Inorg. Chem<\/em>.\u00a02021<\/strong>, 60 (18<\/em>), 13869-13875. DOI: 10.1021\/acs.inorgchem.1c01323.\u00a0*Featured in Forum Issue on Small Molecule Activation Reactions.<\/em><\/strong> [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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27.<\/strong> Naughton, K. J.;\u00a0Trevi\u00f1o, R. E.;\u00a0Moore, P. J.;\u00a0Wertz, A. E.;\u00a0Dickson, J. A.;\u00a0Shafaat, H. S. <\/strong>In Vivo\u00a0<\/em>Assembly of a Genetically Encoded Artificial Metalloenzyme for Hydrogen Production. ACS Synth. Biol.\u00a0<\/em>2021<\/strong>, 10 (8<\/em>) 2116-2120. DOI: 10.1021\/acssynbio.1c00177. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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26.<\/strong> Gardner, E.J.;\u00a0Marguet, S.C.;\u00a0Cobb, C.R.; Pham, D.M.;\u00a0Beringer, J.A.M.;\u00a0Bertke, J.A.; Shafaat, H.S.;\u00a0<\/strong>Warren, T.H.\u00a0Uncovering Redox Non-Innocent H-Bonding in Cu(I)-Diazene Complexes.\u00a0J. Am. Chem. Soc<\/em>.\u00a02021<\/strong>, 143 (39<\/em>), 15960-15974. DOI: 10.1021\/jacs.1c04108. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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25.<\/strong> Nichols, A. W.;\u00a0Cook, E. N.;\u00a0Gan, Y. J.;\u00a0Miedaner, P. R.;\u00a0Dressel, J. M.;\u00a0Dickie, D. A.; Shafaat, H. S.<\/strong>; Machan, C. W.\u00a0Pendent Relay Enhances H2O2 Selectivity during Dioxygen Reduction Mediated by Bipyridine-Based Co\u2013N2O2 Complexes.\u00a0J. Am. Chem. Soc.\u00a0<\/em>2021,\u00a0<\/strong>143 (33), 13065-13073. DOI: 10.1021\/jacs.1c03381. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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24.<\/strong> Kisgeropoulos, E.C.; Manesis, A.C.;\u00a0Shafaat, H.S.<\/strong> Ligand field inversion as a mechanism to gate bioorganometallic reactivity: Investigating a biochemical model of acetyl CoA synthase using spectroscopy and computation.\u00a0J. Am. Chem. Soc. 2021<\/strong>,\u00a0143 (2<\/em>), 849-867. DOI: 10.1021\/jacs.0c10135. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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23.<\/strong> Shafaat, H.S.\u00a0<\/strong>8.27 – [NiFe] Hydrogenases: A Paradigm for Bioinorganic Hydrogen Conversion, Editor(s): Edwin C. Constable, Gerard Parkin, Lawrence Que Jr, Comprehensive Coordination Chemistry III, Elsevier, 2021, Pages 707-730, ISBN 9780081026892, DOI: 10.1016\/B978-0-08-102688-5.00056-8. *Invited contribution.<\/em><\/strong> [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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22.<\/strong> Trevi\u00f1o, R.E.;\u00a0Slater, J.W.;\u00a0Shafaat, H.S.<\/strong> Robust carbon-based electrodes for hydrogen evolution through site-selective covalent attachment of an artificial metalloenzyme.\u00a0ACS Applied Energy Materials<\/em> 2020<\/strong>, 3 (11<\/em>), 11099-11112. DOI: 10.1021\/acsaem.0c02069. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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21. <\/strong>Wang, H.;\u00a0Wong, A.;\u00a0Lewis, L.C.;\u00a0Nemeth, G.;\u00a0Jordan, V.C.;\u00a0Bacon, J.; Caravan, P.;\u00a0Shafaat, H.S.;\u00a0<\/strong>Gale, E.M. Rational ligand design enables pH control over aqueous iron magnetostructural dynamics and relaxometric properties.\u00a0Inorg. Chem. <\/em>2020<\/strong>,\u00a0<\/em>59 (23<\/em>), 17712 \u2013 17721. DOI: 10.1021\/acs.inorgchem.0c02923. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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20.<\/strong> Kisgeropoulos, E.C.;\u00a0Griese, J.J.;\u00a0Smith, Z.R.;\u00a0Branca, R.M.M.;\u00a0Schneider, C.R.;\u00a0H\u00f6gbom, M.;\u00a0Shafaat, H.S.<\/strong> Key Structural Motifs Balance Metal Binding and Oxidative Reactivity in a Heterobimetallic Mn\/Fe Protein.\u00a0J. Am. Chem. Soc<\/em>. 2020<\/strong>, 142 (11<\/em>), 5338\u20135354. DOI: 10.1021\/jacs.0c00333. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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19.<\/strong> Yu, Z.;\u00a0Thompson, Z.;\u00a0Behnke, S. L.;\u00a0Fenk, K. D.;\u00a0Huang, D.; Shafaat, H. S.;\u00a0<\/strong>Cowan, J. A.\u00a0Metalloglycosidase Mimics: Oxidative Cleavage of Saccharides Promoted by Multinuclear Copper Complexes under Physiological Conditions.\u00a0Inorg. Chem.\u00a0<\/em>2020<\/strong>,\u00a059<\/em>, 11218\u201311222. DOI: 10.1021\/acs.inorgchem.0c01193. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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18.<\/strong> Dhakal, S.;\u00a0Shafaat, H.S.<\/strong>; Balasubramaniam, V. M.\u00a0Thermal and high-pressure treatment stability of egg-white avidin in aqueous solution.\u00a0J. Food Proc. Eng.\u00a0<\/em>2020<\/strong>,\u00a043<\/em>, e13481. DOI: 10.1111\/jfpe.13481. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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17.<\/strong> McGarry, K. G.;\u00a0Lalisse, R. F.;\u00a0Moyer, R. A.;\u00a0Johnson, K. M.;\u00a0Tallan, A. M.;\u00a0Winters, T. P.;\u00a0Taris, J. E.;\u00a0McElroy, C. A.;\u00a0Lemmon, E. E.; Shafaat, H. S<\/strong>.; Fan, Y.;\u00a0Deal, A.;\u00a0Marguet, S.C.;\u00a0Harvilchuck, J.A.;\u00a0Hadad, C.M.; Wood, D.W. A Novel, Modified Human Butyrylcholinesterase Catalytically Degrades the Chemical Warfare Nerve Agent, Sarin.\u00a0Toxicol Sci<\/em>. 2020<\/strong>, 174 (1<\/em>), 133\u2013146. DOI: 10.1093\/toxsci\/kfaa057. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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16.<\/strong> Marguet, S.C.;\u00a0Stevenson, M.J.;\u00a0Shafaat, H.S.\u00a0<\/strong>Intramolecular Electron Transfer Governs Photoinduced Hydrogen Evolution by Nickel-Substituted Rubredoxin: Resolving Elementary Steps in Solar Fuel Generation. J. Phys. Chem. B<\/em>. 2019<\/strong>, 123 (46<\/em>), 9792-9800. DOI: 10.1021\/acs.jpcb.9b08048. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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15.<\/strong> Schneider, C.R.;\u00a0Lewis, L.C.;\u00a0Shafaat, H.S.\u00a0<\/strong>The good, the neutral, and the positive: buffer identity impacts CO2\u00a0reduction activity by nickel(II) cyclam.\u00a0Dalton Trans<\/em>. 2019<\/strong>, 48, 15810-15821. DOI: 10.1039\/C9DT03114F. *Selected as Dalton Transactions HOT Article.<\/em><\/strong> [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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14.<\/strong> Slater, J.W.; Marguet, S.C.; Gray, M.E.; Monaco, H.A.; Sotomayor, M.; Shafaat, H.S. <\/strong>(2019) The Power of the Secondary Sphere: Modulating Hydrogenase Activity in Nickel-Substituted Rubredoxin. ACS Catalysis<\/em> 2019<\/strong>, 9 (10<\/em>), 8928-8942. DOI: 10.1021\/acscatal.9b01720. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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13.<\/strong> Manesis, A.C.;\u00a0Musselman, B.W.;\u00a0Keegan, B.;\u00a0Shearer, J.;\u00a0Lehnert, N.;\u00a0Shafaat, H.S.<\/strong> A Biochemical Nickel(I) State Supports Nucleophilic Alkyl Addition: A Roadmap for Methyl Reactivity in Acetyl Coenzyme A Synthase.\u00a0Inorg. Chem<\/em>. 2019<\/strong>, 58 (14<\/em>), 8969-8982. DOI: 10.1021\/acs.inorgchem.8b03546. *Selected as ACS Editor\u2019s Choice; *Selected for Front Cover Feature; *Selected for IC Virtual Issue on \u201cModern Spectroscopy in Inorganic Chemistry\u201d<\/em><\/strong>[Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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12.<\/strong> Behnke, S.L.;\u00a0Manesis, A.C.;\u00a0Shafaat, H.S.<\/strong> Spectroelectrochemical investigations of nickel cyclam indicate different reaction mechanisms for electrocatalytic CO2\u00a0and H+\u00a0reduction.\u00a0Dalton Trans<\/em>. 2018<\/strong>, 47, 15206-15216. DOI: 10.1039\/C8DT02873G. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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11.<\/strong> Slater, J.W.;\u00a0Marguet, S.C.;\u00a0Monaco, H.A.;\u00a0Shafaat, H.S.\u00a0<\/strong>(2018) Going beyond Structure: Nickel- Substituted Rubredoxin as a Mechanistic Model for the [NiFe] Hydrogenases.\u00a0J. Am. Chem. Soc. <\/em>2018<\/strong>,\u00a0<\/em>140 (32<\/em>), 10250-10262. DOI: 10.1021\/jacs.8b05194. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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10.<\/strong> Schneider, C.R.;\u00a0Manesis, A.C.;\u00a0Stevenson, M.J.;\u00a0Shafaat, H.S.<\/strong> (2018) A Photoactive Semisynthetic Metalloenzyme Exhibits Complete Selectivity for CO2\u00a0Reduction in Water.\u00a0Chem. Commun<\/em>. 2018<\/strong>, 54, 4681 – 4684. DOI: 10.1039\/C8CC01297K. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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9.<\/strong> Maugeri, P.T.;\u00a0Griese, J.J.;\u00a0Branca, R.;\u00a0Miller, E.K.;\u00a0Smith, Z.R.; Eirich, J.;\u00a0H\u00f6gbom, M.;\u00a0Shafaat, H.S.\u00a0<\/strong>(2018) Driving protein conformational changes with light: Photoinduced structural rearrangement in a heterobimetallic oxidase.\u00a0J. Am. Chem. Soc<\/em>. 2018<\/strong>, 140 (4<\/em>), 1471-1480. DOI: 10.1021\/jacs.7b11966. *Selected for 2019 JACS Young Investigator Virtual Issue<\/em>.<\/strong> [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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8.<\/strong> Stevenson, M.J.;\u00a0Marguet, S.C.,\u00a0Schneider, C.R.;\u00a0Shafaat, H.S.<\/strong> (2017) Light-driven hydrogen evolution by nickel-substituted rubredoxin.\u00a0ChemSusChem<\/em>. 2017<\/strong>, 10 (22<\/em>), 4424-4429. DOI: 10.1002\/cssc.201701627. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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7.<\/strong> Manesis, A. C.;\u00a0O\u2019Connor, M. J.; Schneider, C. R.;\u00a0Shafaat, H. S.\u00a0<\/strong>(2017) Multielectron Chemistry within a Model Nickel Metalloprotein: Mechanistic Implications for Acetyl-CoA Synthase.\u00a0J. Am. Chem. Soc. <\/em>2017<\/strong>,\u00a0<\/em>139 (30<\/em>), 10328-10338. DOI: 10.1021\/jacs.7b03892. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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6. <\/strong>Miller, E. K.;\u00a0Trivelas, N. E.; Maugeri, P. T.;\u00a0Blaesi, E. J.;\u00a0Shafaat, H. S.\u00a0<\/strong>(2017) Time-Resolved Investigations of Heterobimetallic Cofactor Assembly in R2lox Reveal Distinct Mn\/Fe Intermediates.\u00a0Biochemistry <\/em>2017<\/strong>, 56\u00a0<\/em>(26), 3369\u20133379. DOI: 10.1021\/acs.biochem.7b00403. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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5.<\/strong> Slater, J. W.;\u00a0Marguet, S. C.;\u00a0Cirino, S. L.; Maugeri, P. T.;\u00a0Shafaat, H. S.<\/strong> (2017) Experimental and DFT Investigations Reveal the Influence of the Outer Coordination Sphere on the Vibrational Spectra of Nickel-Substituted Rubredoxin, a Model Hydrogenase Enzyme.\u00a0Inorg. Chem. <\/em>2017<\/strong>, 56\u00a0<\/em>(7), 3926\u2013 3938. DOI: 10.1021\/acs.inorgchem.6b02934. *Selected as feature article in ACS Select Virtual Issue on Engineered Biomolecular Catalysts.<\/em><\/strong> [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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4.<\/strong> Schneider, C. R.,\u00a0Shafaat, H. S.\u00a0<\/strong>(2016). An Internal Electron Reservoir Enhances Catalytic CO2\u00a0Reduction by a Semisynthetic Enzyme.\u00a0Chem. Commun. <\/em>2016<\/strong>, 52<\/em>, 9889\u20139892.\u00a0DOI: 10.1039\/C6CC03901D. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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3.<\/strong> Behnke, S.L.,\u00a0Shafaat, H.S.<\/strong> Heterobimetallic Models of the [NiFe] Hydrogenases: A Structural and Spectroscopic Comparison.\u00a0Comments on Inorganic Chemistry<\/em> 2016<\/strong>, 36 (3<\/em>), 123-140. DOI: 10.1080\/02603594.2015.1108914. *Invited Review<\/em><\/strong> [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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2. <\/strong>Slater, J.W.,\u00a0Shafaat, H.S.\u00a0<\/strong>Nickel-Substituted Rubredoxin as a Minimal Enzyme Model for Hydrogenase.\u00a0J. Phys. Chem. Lett<\/em>. (2015<\/strong>), 6\u00a0(18),\u00a0<\/em>3731-3736.\u00a0DOI: 10.1021\/acs.jpclett.5b01750. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

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1. <\/strong>Manesis, A.C.,\u00a0Shafaat, H.S.\u00a0<\/strong>(2015). Electrochemical, Spectroscopic, and Density Functional Theory Characterization of Redox Activity in Nickel-Substituted Azurin: A Model for Acetyl-CoA Synthase.\u00a0Inorg. Chem. 2015<\/strong>,\u00a054\u00a0(16),\u00a0<\/em>7959-7967.<\/em> DOI: 10.1021\/acs.inorgchem.5b01103. [Link<\/mark><\/a>]<\/p>\n<\/div><\/div>\n\n\n\n

<\/div>\n","protected":false},"excerpt":{"rendered":"

2015-Present 59. Raviprolu, V. T.; Al-Khunaizi, H.; Xie, H.; Kerr, T. A.; Woodburn, K. G.; Shafaat, H. S.; Mu, X.; Spokoyny, A. M. Boron-Centered Proton-Coupled Electron Transfer. ChemRxiv. 2026. DOI: 10.26434\/chemrxiv.10002050\/v1. [Link] 58. Lin, H.; Eden, G. A.; Shafaat, H. S.; Nava, M. Origin of Red Emission in Protein-Stabilized Copper Nanoparticles: Evidence for Cu(I)-Metallothionein-Like Cluster […]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":[],"_links":{"self":[{"href":"https:\/\/shafaatlab.chem.ucla.edu\/index.php?rest_route=\/wp\/v2\/pages\/1197"}],"collection":[{"href":"https:\/\/shafaatlab.chem.ucla.edu\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/shafaatlab.chem.ucla.edu\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/shafaatlab.chem.ucla.edu\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/shafaatlab.chem.ucla.edu\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=1197"}],"version-history":[{"count":38,"href":"https:\/\/shafaatlab.chem.ucla.edu\/index.php?rest_route=\/wp\/v2\/pages\/1197\/revisions"}],"predecessor-version":[{"id":1909,"href":"https:\/\/shafaatlab.chem.ucla.edu\/index.php?rest_route=\/wp\/v2\/pages\/1197\/revisions\/1909"}],"wp:attachment":[{"href":"https:\/\/shafaatlab.chem.ucla.edu\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=1197"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}