Lawrence Que, Jr., Ph.D. - Publications

Affiliations: 
1977-1983 Chemistry Cornell University, Ithaca, NY, United States 
 1983- Chemistry University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
nonheme iron in biological systems
Website:
http://bioinorg.chem.umn.edu/quespace/Publications/publications%20copy.html

262 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Doyle LM, Bienenmann RLM, Gericke R, Xu S, Farquhar ER, Que L, McDonald AR. Preparation and characterization of MnMn complexes with relevance to class Ib ribonucleotide reductases. Journal of Inorganic Biochemistry. 257: 112583. PMID 38733704 DOI: 10.1016/j.jinorgbio.2024.112583  0.807
2024 Chandra B, Ahsan F, Sheng Y, Swart M, Que L. A tale of two topological isomers: Uptuning [Fe(O)(Mecyclam)] for olefin epoxidation. Proceedings of the National Academy of Sciences of the United States of America. 121: e2319799121. PMID 38478690 DOI: 10.1073/pnas.2319799121  0.656
2024 Rasheed W, Pal N, Aboelenen AM, Banerjee S, Oloo WN, Klein JEMN, Fan R, Xiong J, Guo Y, Que L. NMR and Mössbauer Studies Reveal a Temperature-Dependent Switch from = 1 to 2 in a Nonheme Oxoiron(IV) Complex with Faster C-H Bond Cleavage Rates. Journal of the American Chemical Society. PMID 38299607 DOI: 10.1021/jacs.3c10694  0.843
2024 Doyle L, Magherusan A, Xu S, Murphy K, Farquhar ER, Molton F, Duboc C, Que L, McDonald AR. Class Ib Ribonucleotide Reductases: Activation of a Peroxido-MnMn to Generate a Reactive Oxo-MnMn Oxidant. Inorganic Chemistry. 63: 2194-2203. PMID 38231137 DOI: 10.1021/acs.inorgchem.3c04163  0.824
2023 Li Y, Abelson C, Que L, Wang D. 10-fold faster C-H bond hydroxylation by a Co(µ-O) complex [via a Co(µ-O)(µ-OH) intermediate] versus its FeFe analog. Proceedings of the National Academy of Sciences of the United States of America. 120: e2307950120. PMID 38085777 DOI: 10.1073/pnas.2307950120  0.449
2023 Gupta S, Arora P, Kumar R, Awasthi A, Chandra B, Eerlapally R, Xiong J, Guo Y, Que LJ, Draksharapu A. Formation of a Reactive [Mn(III)-O-Ce(IV)] Species and its Facile Equilibrium with Related Mn(IV)(OX) (X = Sc or H) Complexes. Angewandte Chemie (International Ed. in English). e202316378. PMID 37997195 DOI: 10.1002/anie.202316378  0.759
2022 Aldous L, Comba P, DeBeer S, Dey A, Draksharapu A, Duboc C, Itoh S, Karlin K, Kundu S, López Domene R, Maréchal JD, Mazumdar S, Mukherjee R, Parker D, Pordea A, ... Que L, et al. Small molecule activation and synthetic analogues: general discussion. Faraday Discussions. PMID 35531924 DOI: 10.1039/d2fd90012b  0.727
2022 Anilkumar A, Ash P, Chakravarty AR, Comba P, DeBeer S, Dey A, Draksharapu A, Goswami D, Itoh S, Karlin K, Lakshmi KV, Mazumdar S, Pantazis D, Parker D, Que L, et al. Electron transfer, spectroscopy and theory: general discussion. Faraday Discussions. PMID 35510729 DOI: 10.1039/d2fd90013k  0.59
2022 Rohde GT, Xue G, Que L. Explorations of the nonheme high-valent iron-oxo landscape: crystal structure of a synthetic complex with an [FeIV2(μ-O)] diamond core relevant to the chemistry of sMMOH. Faraday Discussions. PMID 35171169 DOI: 10.1039/d1fd00066g  0.471
2022 Oloo WN, Szávuly M, Kaizer J, Que L. Nonheme Diiron Oxygenase Mimic That Generates a Diferric-Peroxo Intermediate Capable of Catalytic Olefin Epoxidation and Alkane Hydroxylation Including Cyclohexane. Inorganic Chemistry. 61: 37-41. PMID 34894683 DOI: 10.1021/acs.inorgchem.1c03468  0.484
2021 Que L, Sheng Y, Abelson CS, Prakash J, Draksharapu A, Young VG. Unmasking Steps in Intramolecular Aromatic Hydroxylation by a Synthetic Nonheme Oxoiron(IV) Complex. Angewandte Chemie (International Ed. in English). PMID 34292639 DOI: 10.1002/anie.202108309  0.807
2021 Crossland PM, Guo Y, Que L. Spontaneous Formation of an Fe/Mn Diamond Core: Models for the Fe/Mn Sites in Class 1c Ribonucleotide Reductases. Inorganic Chemistry. PMID 34110143 DOI: 10.1021/acs.inorgchem.1c00684  0.455
2021 Tripodi GL, Dekker MMJ, Roithová J, Que L. Tuning the H-Atom Transfer Reactivity of Iron(IV)-Oxo Complexes as Probed by Infrared Photodissociation Spectroscopy. Angewandte Chemie (International Ed. in English). 60: 7126-7131. PMID 33393186 DOI: 10.1002/anie.202016695  0.524
2020 Que L, Draksharapu A, Xu S. CeIV- and HClO4-Promoted Assembly of an Fe2IV(µ-O)2 Diamond Core from its Monomeric FeIV=O Precursor at Room Temperature. Angewandte Chemie (International Ed. in English). PMID 32902902 DOI: 10.1002/Anie.202010027  0.791
2020 Banerjee S, Draksharapu A, Crossland P, Fan R, Guo Y, Swart M, Que L. Sc3+-promoted O-O bond cleavage of a (μ-1,2-peroxo)diiron(III) species formed from an iron(II) precursor and O2 to generate a complex with an FeIV2(μ-O)2 core. Journal of the American Chemical Society. PMID 32017545 DOI: 10.1021/Jacs.9B12081  0.815
2020 Que L. High-Valent Nonheme Iron Oxidants in Biology: Lessons from Synthetic Fe=O Complexes. Bulletin of Japan Society of Coordination Chemistry. 62: 30-37. PMID 25678937  0.538
2019 Sabenya G, Gamba I, Gómez L, Clémancey M, Frisch JR, Klinker EJ, Blondin G, Torelli S, Que L, Martin-Diaconescu V, Latour JM, Lloret-Fillol J, Costas M. Octahedral iron(iv)-tosylimido complexes exhibiting single electron-oxidation reactivity. Chemical Science. 10: 9513-9529. PMID 32055323 DOI: 10.1039/C9Sc02526J  0.862
2019 Xu S, Draksharapu A, Rasheed W, Que L. Acid pKa Dependence in O-O Bond Heterolysis of a Nonheme FeIII-OOH Intermediate to Form a Potent FeV=O Oxidant with Heme Compound I-Like Reactivity. Journal of the American Chemical Society. PMID 31513741 DOI: 10.1021/Jacs.9B08442  0.852
2019 Dantignana V, Serrano-Plana J, Draksharapu A, Magallón C, Banerjee S, Fan R, Gamba I, Guo Y, Que L, Costas M, Company A. Spectroscopic and reactivity comparisons between nonheme oxoiron(IV) and oxoiron(V) species bearing the same ancillary ligand. Journal of the American Chemical Society. PMID 31469954 DOI: 10.1021/Jacs.9B05758  0.717
2019 Kal S, Xu S, Que L. Bio-inspired Nonheme Iron Oxidation Catalysis. Growing Evidence for the Involvement of Oxoiron(V) Oxidants in Cleaving Strong C-H Bonds. Angewandte Chemie (International Ed. in English). PMID 31373120 DOI: 10.1002/anie.201906551  0.381
2019 Rasheed W, Fan R, Abelson CS, Peterson PO, Ching WM, Guo Y, Que L. Structural implications of the paramagnetically shifted NMR signals from pyridine H atoms on synthetic nonheme Fe=O complexes. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. PMID 31172289 DOI: 10.1007/S00775-019-01672-3  0.824
2019 Banerjee S, Rasheed W, Fan R, Draksharapu A, Oloo W, Guo Y, Que L. NMR Reveals That a Highly Reactive Nonheme Fe(IV)=O Complex Retains its 6- Coordinate Geometry and S = 1 State in Solution. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31059593 DOI: 10.1002/Chem.201902048  0.846
2019 Kal S, Que L. Activation of a Non-Heme Fe -OOH by a Second Fe to Hydroxylate Strong C-H Bonds: Possible Implications for Soluble Methane Monooxygenase. Angewandte Chemie (International Ed. in English). 58: 8484-8488. PMID 30997707 DOI: 10.1002/anie.201903465  0.48
2019 Magherusan AM, Kal S, Nelis DN, Doyle LM, Farquhar ER, Que L, McDonald AR. A MnIIMnIII-peroxide complex capable of aldehyde deformylation. Angewandte Chemie (International Ed. in English). PMID 30830996 DOI: 10.1002/Anie.201900717  0.812
2019 Kim J, Dong Y, Larka E, Que L. Electrospray Ionization Mass Spectral Characterization of Transient Iron Species of Bioinorganic Relevance. Inorganic Chemistry. 35: 2369-2372. PMID 11666437 DOI: 10.1021/ic951091h  0.44
2018 Prakash J, Sheng Y, Draksharapu A, Klein JEMN, Cramer CJ, Que L. Facile Conversion of syn-[Fe (O)(TMC)] into the anti Isomer via Meunier's Oxo-Hydroxo Tautomerism Mechanism. Angewandte Chemie (International Ed. in English). PMID 30556289 DOI: 10.1002/Anie.201811454  0.826
2018 Cutsail Iii GE, Banerjee R, Zhou A, Que L, Lipscomb JD, DeBeer S. High-Resolution EXAFS Provides Evidence for a Longer Fe•••Fe Distance in the Q Intermediate of Methane Monooxygenase. Journal of the American Chemical Society. PMID 30398343 DOI: 10.1021/Jacs.8B10313  0.592
2018 Andris E, Navrátil R, Jašík J, Puri M, Costas M, Que L, Roithová J. Trapping Iron(III)-Oxo Species at the Boundary of the "Oxo Wall": Insights into the Nature of the Fe(III)-O Bond. Journal of the American Chemical Society. PMID 30336001 DOI: 10.1021/Jacs.8B08950  0.46
2018 Xu S, Veach JJ, Oloo WN, Peters KC, Wang J, Perry RH, Que L. Detection of a transient Fe(O)(OH) species involved in olefin oxidation by a bio-inspired non-haem iron catalyst. Chemical Communications (Cambridge, England). PMID 30028454 DOI: 10.1039/C8Cc03990A  0.471
2018 Rasheed W, Draksharapu A, Banerjee S, Young VG, Fan R, Guo Y, Ozerov M, Nehrkorn J, Krzystek J, Telser J, Que L. Crystallographic evidence for a sterically induced ferryl tilt in a non-heme oxoiron(IV) complex that makes it a better oxidant. Angewandte Chemie (International Ed. in English). PMID 29882390 DOI: 10.1002/Anie.201804836  0.881
2018 Kal S, Draksharapu A, Que L. Sc (or HClO) Activation of a Nonheme Fe-OOH Intermediate for the Rapid Hydroxylation of Cyclohexane and Benzene. Journal of the American Chemical Society. PMID 29618199 DOI: 10.1021/Jacs.8B01435  0.765
2018 Komor AJ, Jasniewski AJ, Que L, Lipscomb JD. Diiron monooxygenases in natural product biosynthesis. Natural Product Reports. PMID 29552683 DOI: 10.1039/C7Np00061H  0.564
2018 Fan R, Serrano-Plana J, Oloo WN, Draksharapu A, Delgado-Pinar E, Company A, Martin-Diaconescu V, Borrell M, Lloret-Fillol J, García-España E, Guo Y, Bominaar EL, Que L, Costas M, Münck E. Spectroscopic and DFT Characterization of a Highly Reactive Nonheme Fe-oxo Intermediate. Journal of the American Chemical Society. PMID 29463085 DOI: 10.1021/Jacs.7B11400  0.835
2018 Jasniewski AJ, Que L. Dioxygen Activation by Nonheme Diiron Enzymes: Diverse Dioxygen Adducts, High-Valent Intermediates, and Related Model Complexes. Chemical Reviews. 118: 2554-2592. PMID 29400961 DOI: 10.1021/acs.chemrev.7b00457  0.365
2017 Khenkin AM, Vedichi M, Shimon LJW, Cranswick MA, Klein JEMN, Que L, Neumann R. Hydrogen-Atom Transfer Oxidation with H2O2 Catalyzed by [FeII(1,2-bis(2,2'-bipyridyl-6-yl)ethane(H2O)2]2+: Likely Involvement of a (μ-Hydroxo)(μ-1,2-peroxo)diiron(III) Intermediate. Israel Journal of Chemistry. 57: 990-998. PMID 29335656 DOI: 10.1002/Ijch.201700059  0.366
2017 Zhou A, Crossland PM, Draksharapu A, Jasniewski AJ, Kleespies ST, Que L. Oxoiron(IV) complexes as synthons for the assembly of heterobimetallic centers such as the Fe/Mn active site of Class Ic ribonucleotide reductases. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. PMID 29218640 DOI: 10.1007/S00775-017-1517-5  0.788
2017 Que L, Klein JEMN, Draksharapu A, Shokri A, Cramer CJ. On the Lewis Acidity of the Oxoiron(IV) Unit in a Tetramethylcyclam Complex. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29205555 DOI: 10.1002/Chem.201704977  0.728
2017 Serrano-Plana J, Acuña-Parés F, Dantignana V, Oloo WN, Castillo E, Draksharapu A, Whiteoak CJ, Martin-Diaconescu V, Basallote MG, Luis JM, Que L, Costas M, Company A. Acid-triggered O-O bond heterolysis of a nonheme FeIII(OOH) species for the stereospecific hydroxylation of strong C-H bonds. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29193378 DOI: 10.1002/Chem.201704851  0.72
2017 Klein JEMN, Mandal D, Ching WM, Mallick D, Que L, Shaik S. Privileged Role of Thiolate as the Axial Ligand in Hydrogen Atom Transfer Reactions by Oxoiron(IV) Complexes in Shaping the Potential Energy Surface and Inducing Significant H-Atom Tunneling. Journal of the American Chemical Society. PMID 29179544 DOI: 10.1021/Jacs.7B11300  0.529
2017 Magherusan A, Zhou A, Farquhar E, Garcia Melchor M, Twamley B, Que L, McDonald AR. Mimicking class Ib Mn2 ribonucleotide reductase: a MnII2 complex and its reaction with superoxide. Angewandte Chemie (International Ed. in English). PMID 29165865 DOI: 10.1002/Anie.201709806  0.824
2017 Castillo RG, Banerjee R, Allpress CJ, Rohde GT, Bill E, Que L, Lipscomb JD, DeBeer S. High-Energy Resolution Fluorescence Detected X-ray Absorption of the Q intermediate of Soluble Methane Monooxygenase. Journal of the American Chemical Society. PMID 29136468 DOI: 10.1021/Jacs.7B09560  0.592
2017 Oloo WN, Banerjee R, Lipscomb JD, Que L. Equilibrating (L)Fe(III)-OOAc and (L)Fe(V)(O) Species in Hydrocarbon Oxidations by Bio-Inspired Nonheme Iron Catalysts using H2O2 and AcOH. Journal of the American Chemical Society. PMID 29136467 DOI: 10.1021/Jacs.7B06246  0.665
2017 Chen J, Draksharapu A, Harvey E, Rasheed W, Que L, Browne WR. Direct photochemical activation of non-heme Fe(iv)[double bond, length as m-dash]O complexes. Chemical Communications (Cambridge, England). PMID 29099136 DOI: 10.1039/C7Cc07452B  0.864
2017 Ching WM, Zhou A, Klein JEMN, Fan R, Knizia G, Cramer CJ, Guo Y, Que L. Correction to Characterization of the Fleeting Hydroxoiron(III) Complex of the Pentadentate TMC-py Ligand. Inorganic Chemistry. PMID 29028324 DOI: 10.1021/Acs.Inorgchem.7B02374  0.302
2017 Ching WM, Zhou A, Klein JEMN, Fan R, Knizia G, Cramer CJ, Guo Y, Que L. Characterization of the Fleeting Hydroxoiron(III) Complex of the Pentadentate TMC-py Ligand. Inorganic Chemistry. PMID 28858496 DOI: 10.1021/Acs.Inorgchem.7B01459  0.521
2017 Komor AJ, Rivard BS, Fan R, Guo Y, Que L, Lipscomb JD. CmlI N-Oxygenase Catalyzes the Final Three Steps in Chloramphenicol Biosynthesis without Dissociation of Intermediates. Biochemistry. PMID 28823151 DOI: 10.1021/Acs.Biochem.7B00695  0.599
2017 Jasniewski AJ, Komor AJ, Lipscomb JD, Que L. An Unprecedented (μ-1,1-Peroxo)diferric Structure for the Ambiphilic Orange Peroxo Intermediate of the Nonheme N-Oxygenase CmlI. Journal of the American Chemical Society. PMID 28673082 DOI: 10.1021/Jacs.7B05389  0.682
2017 Draksharapu A, Rasheed W, Klein JEMN, Que L. Facile and reversible formation of Fe(III)-O-Ce(IV) adducts from nonheme oxoiron(IV) complexes and Ce(III). Angewandte Chemie (International Ed. in English). PMID 28598024 DOI: 10.1002/Anie.201704322  0.862
2017 Verma P, Varga Z, Klein JEMN, Cramer CJ, Que L, Truhlar DG. Assessment of electronic structure methods for the determination of the ground spin states of Fe(ii), Fe(iii) and Fe(iv) complexes. Physical Chemistry Chemical Physics : Pccp. PMID 28484765 DOI: 10.1039/C7Cp01263B  0.347
2017 Pattanayak S, Jasniewski AJ, Rana A, Draksharapu A, Singh KK, Weitz A, Hendrich M, Que L, Dey A, Sen Gupta S. Spectroscopic and Reactivity Comparisons of a Pair of bTAML Complexes with Fe(V)═O and Fe(IV)═O Units. Inorganic Chemistry. PMID 28481521 DOI: 10.1021/Acs.Inorgchem.7B00448  0.782
2017 Bigelow JO, England J, Klein JE, Farquhar ER, Frisch JR, Martinho M, Mandal D, Münck E, Shaik S, Que L. Oxoiron(IV) Tetramethylcyclam Complexes with Axial Carboxylate Ligands: Effect of Tethering the Carboxylate on Reactivity. Inorganic Chemistry. PMID 28257190 DOI: 10.1021/Acs.Inorgchem.6B02659  0.847
2017 Kal S, Que L. Dioxygen activation by nonheme iron enzymes with the 2-His-1-carboxylate facial triad that generate high-valent oxoiron oxidants. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. PMID 28074299 DOI: 10.1007/s00775-016-1431-2  0.438
2016 Zhou A, Prakash J, Rohde GT, Klein JE, Kleespies ST, Draksharapu A, Fan R, Guo Y, Cramer CJ, Que L. The Two Faces of Tetramethylcyclam in Iron Chemistry: Distinct Fe-O-M Complexes Derived from [Fe(IV)(Oanti/syn)(TMC)](2+) Isomers. Inorganic Chemistry. PMID 28001379 DOI: 10.1021/Acs.Inorgchem.6B02417  0.821
2016 Sutherlin KD, Liu LV, Lee YM, Kwak Y, Yoda Y, Saito M, Kurokuzu M, Kobayashi Y, Seto M, Que L, Nam W, Solomon EI. Nuclear resonance vibrational spectroscopic definition of peroxy intermediates in non-heme iron sites. Journal of the American Chemical Society. PMID 27726349 DOI: 10.1021/Jacs.6B07227  0.402
2016 Jasniewski AJ, Knoot CJ, Lipscomb JD, Que L. A Carboxylate Shift Regulates Dioxygen Activation by the Diiron Nonheme β-Hydroxylase CmlA upon Binding of a Substrate-Loaded Nonribosomal Peptide Synthetase. Biochemistry. PMID 27668828 DOI: 10.1021/Acs.Biochem.6B00834  0.607
2016 Jasniewski AJ, Engstrom LM, Vu VV, Park MH, Que L. X-ray absorption spectroscopic characterization of the diferric-peroxo intermediate of human deoxyhypusine hydroxylase in the presence of its substrate eIF5a. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. PMID 27380180 DOI: 10.1007/S00775-016-1373-8  0.647
2016 Puri M, Company A, Sabenya G, Costas M, Que L. Oxygen Atom Exchange between H2O and Non-Heme Oxoiron(IV) Complexes: Ligand Dependence and Mechanism. Inorganic Chemistry. 55: 5818-27. PMID 27275633 DOI: 10.1021/acs.inorgchem.6b00023  0.535
2016 Prakash J, Que L. Formation of the syn isomer of [Fe(IV)(Oanti)(TMC)(NCMe)](2+) in the reaction of Lewis acids with the side-on bound peroxo ligand in [Fe(III)(η(2)-O2)(TMC)](.) Chemical Communications (Cambridge, England). PMID 27273175 DOI: 10.1039/C6Cc01660J  0.673
2016 Komor AJ, Rivard BS, Fan R, Guo Y, Que L, Lipscomb JD. Mechanism for Six-Electron Aryl-N-oxygenation by the Non-Heme Diiron Enzyme CmlI. Journal of the American Chemical Society. PMID 27203126 DOI: 10.1021/Jacs.6B03341  0.595
2016 Stout HD, Kleespies ST, Chiang CW, Lee WZ, Que L, Münck E, Bominaar EL. Spectroscopic and Theoretical Study of Spin-Dependent Electron Transfer in an Iron(III) Superoxo Complex. Inorganic Chemistry. PMID 27159412 DOI: 10.1021/Acs.Inorgchem.6B00134  0.842
2016 Puri M, Biswas AN, Fan R, Guo Y, Que L. Modeling Non-Heme Iron Halogenases: High-Spin Oxoiron(IV)-Halide Complexes That Halogenate C-H Bonds. Journal of the American Chemical Society. PMID 26875530 DOI: 10.1021/Jacs.5B11511  0.792
2015 Prakash J, Rohde GT, Meier KK, Münck E, Que L. Upside Down! Crystallographic and Spectroscopic Characterization of an [Fe(IV)(Osyn)(TMC)](2+) Complex. Inorganic Chemistry. 54: 11055-7. PMID 26615667 DOI: 10.1021/Acs.Inorgchem.5B02011  0.857
2015 Serrano-Plana J, Oloo WN, Acosta-Rueda L, Meier KK, Verdejo B, Garcia-España E, Basallote MG, Münck E, Que L, Company A, Costas M. Trapping a Highly Reactive Non-heme Iron Intermediate That Oxygenates Strong C-H Bonds with Stereoretention. Journal of the American Chemical Society. PMID 26599834 DOI: 10.1021/Jacs.5B09904  0.863
2015 Ye S, Xue G, Krivokapic I, Petrenko T, Bill E, Que L, Neese F. Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(IV) complexes. Chemical Science (Royal Society of Chemistry : 2010). 6: 2909-2921. PMID 26417426 DOI: 10.1039/C4Sc03268C  0.528
2015 Oloo WN, Que L. Bioinspired Nonheme Iron Catalysts for C-H and C═C Bond Oxidation: Insights into the Nature of the Metal-Based Oxidants. Accounts of Chemical Research. 48: 2612-21. PMID 26280131 DOI: 10.1021/Acs.Accounts.5B00053  0.563
2015 Zhou A, Kleespies ST, Van Heuvelen KM, Que L. Characterization of a heterobimetallic nonheme Fe(iii)-O-Cr(iii) species formed by O2 activation. Chemical Communications (Cambridge, England). 51: 14326-9. PMID 26265081 DOI: 10.1039/c5cc05931c  0.465
2015 England J, Prakash J, Cranswick MA, Mandal D, Guo Y, Münck E, Shaik S, Que L. Oxoiron(IV) Complex of the Ethylene-Bridged Dialkylcyclam Ligand Me2EBC. Inorganic Chemistry. 54: 7828-39. PMID 26244657 DOI: 10.1021/Acs.Inorgchem.5B00861  0.814
2015 Puri M, Que L. Toward the synthesis of more reactive S = 2 non-heme oxoiron(IV) complexes. Accounts of Chemical Research. 48: 2443-52. PMID 26176555 DOI: 10.1021/acs.accounts.5b00244  0.364
2015 Schreiber RE, Cohen H, Leitus G, Wolf SG, Zhou A, Que L, Neumann R. Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework. Journal of the American Chemical Society. PMID 26070034 DOI: 10.1021/Jacs.5B03456  0.426
2015 Shokri A, Que L. Conversion of Aldehyde to Alkane by a Peroxoiron(III) Complex: A Functional Model for the Cyanobacterial Aldehyde-Deformylating Oxygenase. Journal of the American Chemical Society. 137: 7686-91. PMID 26030345 DOI: 10.1021/Jacs.5B01053  0.495
2015 Kleespies ST, Oloo WN, Mukherjee A, Que L. C-H Bond Cleavage by Bioinspired Nonheme Oxoiron(IV) Complexes, Including Hydroxylation of n-Butane. Inorganic Chemistry. 54: 5053-64. PMID 25751610 DOI: 10.1021/Ic502786Y  0.515
2015 Prakash J, Rohde GT, Meier KK, Jasniewski AJ, Van Heuvelen KM, Münck E, Que L. Spectroscopic identification of an Fe(III) center, not Fe(IV), in the crystalline Sc-O-Fe adduct derived from [Fe(IV)(O)(TMC)]²⁺. Journal of the American Chemical Society. 137: 3478-81. PMID 25743366 DOI: 10.1021/Jacs.5B00535  0.879
2015 Biswas AN, Puri M, Meier KK, Oloo WN, Rohde GT, Bominaar EL, Münck E, Que L. Modeling TauD-J: a high-spin nonheme oxoiron(IV) complex with high reactivity toward C-H bonds. Journal of the American Chemical Society. 137: 2428-31. PMID 25674662 DOI: 10.1021/Ja511757J  0.853
2015 Codolà Z, Gómez L, Kleespies ST, Que L, Costas M, Lloret-Fillol J. Erratum: Evidence for an oxygen evolving iron-oxo-cerium intermediate in iron-catalysed water oxidation. Nature Communications. 6: 6405. PMID 25672879 DOI: 10.1038/ncomms7405  0.328
2015 Codolà Z, Gómez L, Kleespies ST, Que L, Costas M, Lloret-Fillol J. Evidence for an oxygen evolving iron-oxo-cerium intermediate in iron-catalysed water oxidation. Nature Communications. 6: 5865. PMID 25609387 DOI: 10.1038/ncomms6865  0.566
2015 Makris TM, Vu VV, Meier KK, Komor AJ, Rivard BS, Münck E, Que L, Lipscomb JD. An unusual peroxo intermediate of the arylamine oxygenase of the chloramphenicol biosynthetic pathway. Journal of the American Chemical Society. 137: 1608-17. PMID 25564306 DOI: 10.1021/Ja511649N  0.85
2014 Iyer SR, Javadi MM, Feng Y, Hyun MY, Oloo WN, Kim C, Que L. A chameleon catalyst for nonheme iron-promoted olefin oxidation. Chemical Communications (Cambridge, England). 50: 13777-80. PMID 25251577 DOI: 10.1039/C4Cc06164K  0.407
2014 Chiang CW, Kleespies ST, Stout HD, Meier KK, Li PY, Bominaar EL, Que L, Münck E, Lee WZ. Characterization of a paramagnetic mononuclear nonheme iron-superoxo complex. Journal of the American Chemical Society. 136: 10846-9. PMID 25036460 DOI: 10.1021/Ja504410S  0.885
2014 England J, Bigelow JO, Van Heuvelen KM, Farquhar ER, Martinho M, Meier KK, Frisch JR, Münck E, Que L. An Ultra-Stable Oxoiron(IV) Complex and Its Blue Conjugate Base. Chemical Science (Royal Society of Chemistry : 2010). 5: 1204-1215. PMID 24660055 DOI: 10.1039/C3Sc52755G  0.869
2014 Fielding AJ, Lipscomb JD, Que L. A two-electron-shell game: intermediates of the extradiol-cleaving catechol dioxygenases. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 19: 491-504. PMID 24615282 DOI: 10.1007/S00775-014-1122-9  0.809
2014 Company A, Sabenya G, González-Béjar M, Gómez L, Clémancey M, Blondin G, Jasniewski AJ, Puri M, Browne WR, Latour JM, Que L, Costas M, Pérez-Prieto J, Lloret-Fillol J. Triggering the generation of an iron(IV)-oxo compound and its reactivity toward sulfides by Ru(II) photocatalysis. Journal of the American Chemical Society. 136: 4624-33. PMID 24568126 DOI: 10.1021/Ja412059C  0.633
2014 Oloo WN, Meier KK, Wang Y, Shaik S, Münck E, Que L. Identification of a low-spin acylperoxoiron(III) intermediate in bio-inspired non-heme iron-catalysed oxidations. Nature Communications. 5: 3046. PMID 24429896 DOI: 10.1038/Ncomms4046  0.833
2014 Stoian SA, Xue G, Bominaar EL, Que L, Münck E. Spectroscopic and theoretical investigation of a complex with an [O═Fe(IV)-O-Fe(IV)═O] core related to methane monooxygenase intermediate Q. Journal of the American Chemical Society. 136: 1545-58. PMID 24380398 DOI: 10.1021/Ja411376U  0.783
2014 Makhlynets OV, Oloo WN, Moroz YS, Belaya IG, Palluccio TD, Filatov AS, Müller P, Cranswick MA, Que L, Rybak-Akimova EV. H2O2 activation with biomimetic non-haem iron complexes and AcOH: connecting the g = 2.7 EPR signal with a visible chromophore. Chemical Communications (Cambridge, England). 50: 645-8. PMID 24292104 DOI: 10.1039/C3Cc47632D  0.408
2014 Wang D, Que L. Oxidation of water by a nonhaem diiron(IV) complex via proton-coupled electron transfer. Chemical Communications (Cambridge, England). 49: 10682-4. PMID 24108275 DOI: 10.1039/c3cc46391e  0.369
2013 Pap JS, Cranswick MA, Balogh-Hergovich E, Baráth G, Giorgi M, Rohde GT, Kaizer J, Speier G, Que L. An Iron(II)(1,3-bis(2'-pyridylimino)isoindoline) Complex as a Catalyst for Substrate Oxidation with H2O2. Evidence for a Transient Peroxodiiron(III) Species. European Journal of Inorganic Chemistry. 2013: 3858-3866. PMID 24587695 DOI: 10.1002/Ejic.201300162  0.468
2013 Hayden JA, Farquhar ER, Que L, Lipscomb JD, Hendrich MP. NO binding to Mn-substituted homoprotocatechuate 2,3-dioxygenase: relationship to O₂ reactivity. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 18: 717-28. PMID 23824380 DOI: 10.1007/S00775-013-1016-2  0.82
2013 Li F, Van Heuvelen KM, Meier KK, Münck E, Que L. Sc3+-triggered oxoiron(IV) formation from O2 and its non-heme iron(II) precursor via a Sc3+-peroxo-Fe3+ intermediate. Journal of the American Chemical Society. 135: 10198-201. PMID 23802702 DOI: 10.1021/Ja402645Y  0.872
2013 Oloo WN, Fielding AJ, Que L. Rate-determining water-assisted O-O bond cleavage of an Fe(III)-OOH intermediate in a bio-inspired nonheme iron-catalyzed oxidation. Journal of the American Chemical Society. 135: 6438-41. PMID 23594282 DOI: 10.1021/Ja402759C  0.865
2013 Park K, Bell CB, Liu LV, Wang D, Xue G, Kwak Y, Wong SD, Light KM, Zhao J, Alp EE, Yoda Y, Saito M, Kobayashi Y, Ohta T, Seto M, ... Que L, et al. Nuclear resonance vibrational spectroscopic and computational study of high-valent diiron complexes relevant to enzyme intermediates. Proceedings of the National Academy of Sciences of the United States of America. 110: 6275-80. PMID 23576760 DOI: 10.1073/Pnas.1304238110  0.418
2013 Prat I, Company A, Postils V, Ribas X, Que L, Luis JM, Costas M. The mechanism of stereospecific C-H oxidation by Fe(Pytacn) complexes: bioinspired non-heme iron catalysts containing cis-labile exchangeable sites. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 6724-38. PMID 23536410 DOI: 10.1002/Chem.201300110  0.51
2013 Xue G, Geng C, Ye S, Fiedler AT, Neese F, Que L. Hydrogen-bonding effects on the reactivity of [X-Fe(III)-O-Fe(IV)═O] (X = OH, F) complexes toward C-H bond cleavage. Inorganic Chemistry. 52: 3976-84. PMID 23496330 DOI: 10.1021/Ic3027896  0.503
2013 Frisch JR, McDonnell R, Rybak-Akimova EV, Que L. Factors affecting the carboxylate shift upon formation of nonheme diiron-O2 adducts. Inorganic Chemistry. 52: 2627-36. PMID 23432330 DOI: 10.1021/Ic302543N  0.823
2013 Wang D, Ray K, Collins MJ, Farquhar ER, Frisch JR, Gómez L, Jackson TA, Kerscher M, Waleska A, Comba P, Costas M, Que L. Nonheme Oxoiron(IV) Complexes of Pentadentate N5 Ligands: Spectroscopy, Electrochemistry, and Oxidative Reactivity. Chemical Science (Royal Society of Chemistry : 2010). 4: 282-291. PMID 23227304 DOI: 10.1039/C2Sc21318D  0.883
2012 McDonald AR, Guo Y, Vu VV, Bominaar EL, Münck E, Que L. A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J' Chemical Science (Royal Society of Chemistry : 2010). 3: 1680-1693. PMID 23267430 DOI: 10.1039/C2Sc01044E  0.868
2012 Shanmugam M, Xue G, Que L, Hoffman BM. 1H-ENDOR evidence for a hydrogen-bonding interaction that modulates the reactivity of a nonheme Fe(IV)═O unit. Inorganic Chemistry. 51: 10080-2. PMID 22984805 DOI: 10.1021/Ic3015783  0.432
2012 Cranswick MA, Meier KK, Shan X, Stubna A, Kaizer J, Mehn MP, Münck E, Que L. Protonation of a peroxodiiron(III) complex and conversion to a diiron(III/IV) intermediate: implications for proton-assisted O-O bond cleavage in nonheme diiron enzymes. Inorganic Chemistry. 51: 10417-26. PMID 22971084 DOI: 10.1021/Ic301642W  0.863
2012 Srnec M, Wong SD, England J, Que L, Solomon EI. π-Frontier molecular orbitals in S = 2 ferryl species and elucidation of their contributions to reactivity Proceedings of the National Academy of Sciences of the United States of America. 109: 14326-14331. PMID 22908238 DOI: 10.1073/Pnas.1212693109  0.478
2012 McDonald AR, Van Heuvelen KM, Guo Y, Li F, Bominaar EL, Münck E, Que L. Characterization of a thiolato iron(III) Peroxy dianion complex. Angewandte Chemie (International Ed. in English). 51: 9132-6. PMID 22888066 DOI: 10.1002/Anie.201203602  0.808
2012 Mas-Ballesté R, McDonald AR, Reed D, Usharani D, Schyman P, Milko P, Shaik S, Que L. Intramolecular gas-phase reactions of synthetic nonheme oxoiron(IV) ions: Proximity and spin-state reactivity rules Chemistry - a European Journal. 18: 11747-11760. PMID 22837063 DOI: 10.1002/Chem.201200105  0.789
2012 Van Heuvelen KM, Fiedler AT, Shan X, De Hont RF, Meier KK, Bominaar EL, Münck E, Que L. One-electron oxidation of an oxoiron(IV) complex to form an [O═FeV═NR]+ center. Proceedings of the National Academy of Sciences of the United States of America. 109: 11933-8. PMID 22786933 DOI: 10.1073/Pnas.1206457109  0.881
2012 Huo L, Fielding AJ, Chen Y, Li T, Iwaki H, Hosler JP, Chen L, Hasegawa Y, Que L, Liu A. Evidence for a dual role of an active site histidine in α-amino-β-carboxymuconate-ε-semialdehyde decarboxylase. Biochemistry. 51: 5811-21. PMID 22746257 DOI: 10.1021/Bi300635B  0.815
2012 Li F, Chakrabarti M, Dong Y, Kauffmann K, Bominaar EL, Münck E, Que L. Structural, EPR, and Mössbauer characterization of (μ-alkoxo)(μ-carboxylato)diiron(II,III) model complexes for the active sites of mixed-valent diiron enzymes. Inorganic Chemistry. 51: 2917-29. PMID 22360600 DOI: 10.1021/Ic2021726  0.778
2012 Do LH, Xue G, Que L, Lippard SJ. Evaluating the identity and diiron core transformations of a (μ-oxo)diiron(III) complex supported by electron-rich tris(pyridyl-2-methyl)amine ligands. Inorganic Chemistry. 51: 2393-402. PMID 22264120 DOI: 10.1021/Ic202379B  0.463
2012 Fielding AJ, Lipscomb JD, Que L. Characterization of an O2 adduct of an active cobalt-substituted extradiol-cleaving catechol dioxygenase. Journal of the American Chemical Society. 134: 796-9. PMID 22175783 DOI: 10.1021/Ja2095365  0.845
2011 Paria S, Que L, Paine TK. Oxidative decarboxylation of benzilic acid by a biomimetic iron(II) complex: evidence for an iron(IV)-oxo-hydroxo oxidant from O2. Angewandte Chemie (International Ed. in English). 50: 11129-32. PMID 21956868 DOI: 10.1002/Anie.201103971  0.855
2011 Chandrasekaran P, Stieber SC, Collins TJ, Que L, Neese F, DeBeer S. Prediction of high-valent iron K-edge absorption spectra by time-dependent density functional theory. Dalton Transactions (Cambridge, England : 2003). 40: 11070-9. PMID 21956429 DOI: 10.1039/C1Dt11331C  0.473
2011 McDonald AR, Que L. Iron-oxo complexes: elusive iron(V) species identified. Nature Chemistry. 3: 761-2. PMID 21941247 DOI: 10.1038/Nchem.1153  0.723
2011 Xue G, Pokutsa A, Que L. Substrate-triggered activation of a synthetic [Fe2(μ-O)2] diamond core for C-H bond cleavage. Journal of the American Chemical Society. 133: 16657-67. PMID 21899336 DOI: 10.1021/ja207131g  0.542
2011 England J, Guo Y, Van Heuvelen KM, Cranswick MA, Rohde GT, Bominaar EL, Münck E, Que L. A more reactive trigonal-bipyramidal high-spin oxoiron(IV) complex with a cis-labile site. Journal of the American Chemical Society. 133: 11880-3. PMID 21739994 DOI: 10.1021/Ja2040909  0.693
2011 Hirao H, Li F, Que L, Morokuma K. Theoretical study of the mechanism of oxoiron(IV) formation from H2O2 and a nonheme iron(II) complex: O-O cleavage involving proton-coupled electron transfer. Inorganic Chemistry. 50: 6637-48. PMID 21678930 DOI: 10.1021/ic200522r  0.495
2011 Li F, Meier KK, Cranswick MA, Chakrabarti M, Van Heuvelen KM, Münck E, Que L. Characterization of a high-spin non-heme Fe(III)-OOH intermediate and its quantitative conversion to an Fe(IV)═O complex. Journal of the American Chemical Society. 133: 7256-9. PMID 21517091 DOI: 10.1021/Ja111742Z  0.879
2011 Vu VV, Makris TM, Lipscomb JD, Que L. Active-site structure of a β-hydroxylase in antibiotic biosynthesis. Journal of the American Chemical Society. 133: 6938-41. PMID 21506543 DOI: 10.1021/Ja201822V  0.739
2011 England J, Farquhar ER, Guo Y, Cranswick MA, Ray K, Münck E, Que L. Characterization of a tricationic trigonal bipyramidal iron(IV) cyanide complex, with a very high reduction potential, and its iron(II) and iron(III) congeners. Inorganic Chemistry. 50: 2885-96. PMID 21381646 DOI: 10.1021/Ic102094D  0.876
2011 Wong SD, Bell CB, Liu LV, Kwak Y, England J, Alp EE, Zhao J, Que L, Solomon EI. Nuclear resonance vibrational spectroscopy on the FeIV=O S=2 non-heme site in TMG3tren: Experimentally calibrated insights into reactivity Angewandte Chemie - International Edition. 50: 3215-3218. PMID 21370371 DOI: 10.1002/Anie.201007692  0.403
2011 Farquhar ER, Emerson JP, Koehntop KD, Reynolds MF, Trmčić M, Que L. In vivo self-hydroxylation of an iron-substituted manganese-dependent extradiol cleaving catechol dioxygenase. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 16: 589-97. PMID 21279661 DOI: 10.1007/S00775-011-0760-4  0.848
2011 Company A, Prat I, Frisch JR, Mas-Ballesté R, Güell M, Juhász G, Ribas X, Münck E, Luis JM, Que L, Costas M. Modeling the cis-oxo-labile binding site motif of non-heme iron oxygenases: water exchange and oxidation reactivity of a non-heme iron(IV)-oxo compound bearing a tripodal tetradentate ligand. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 1622-34. PMID 21268165 DOI: 10.1002/Chem.201002297  0.832
2011 Fielding AJ, Kovaleva EG, Farquhar ER, Lipscomb JD, Que L. A hyperactive cobalt-substituted extradiol-cleaving catechol dioxygenase. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 16: 341-55. PMID 21153851 DOI: 10.1007/S00775-010-0732-0  0.852
2011 Das P, Que L. Iron catalyzed competitive olefin oxidation and ipso-hydroxylation of benzoic acids: further evidence for an Fe(V)═O oxidant. Inorganic Chemistry. 49: 9479-85. PMID 20866083 DOI: 10.1021/ic101144s  0.51
2010 Oldenburg PD, Feng Y, Pryjomska-Ray I, Ness D, Que L. Olefin cis-dihydroxylation with bio-inspired iron catalysts. evidence for an Fe(II)/Fe(IV) catalytic cycle. Journal of the American Chemical Society. 132: 17713-23. PMID 21105649 DOI: 10.1021/Ja1021014  0.87
2010 McDonald AR, Bukowski MR, Farquhar ER, Jackson TA, Koehntop KD, Seo MS, De Hont RF, Stubna A, Halfen JA, Münck E, Nam W, Que L. Sulfur versus iron oxidation in an iron-thiolate model complex. Journal of the American Chemical Society. 132: 17118-29. PMID 21070030 DOI: 10.1021/Ja1045428  0.867
2010 De Hont RF, Xue G, Hendrich MP, Que L, Bominaar EL, Münck E. Mössbauer, electron paramagnetic resonance, and density functional theory studies of synthetic S = 1/2 Fe(III)-O-Fe(IV)═O complexes. Superexchange-mediated spin transition at the Fe(IV)═O site. Inorganic Chemistry. 49: 8310-22. PMID 20795646 DOI: 10.1021/Ic100870V  0.861
2010 England J, Guo Y, Farquhar ER, Young VG, Münck E, Que L. The crystal structure of a high-spin oxoiron(IV) complex and characterization of its self-decay pathway. Journal of the American Chemical Society. 132: 8635-44. PMID 20568768 DOI: 10.1021/Ja100366C  0.794
2010 Wang D, Zhang M, Bühlmann P, Que L. Redox potential and C-H bond cleaving properties of a nonheme Fe(IV)=O complex in aqueous solution. Journal of the American Chemical Society. 132: 7638-44. PMID 20476758 DOI: 10.1021/Ja909923W  0.517
2010 Xue G, De Hont R, Münck E, Que L. Million-fold activation of the [Fe(2)(micro-O)(2)] diamond core for C-H bond cleavage. Nature Chemistry. 2: 400-5. PMID 20414242 DOI: 10.1038/Nchem.586  0.879
2010 Mukherjee A, Cranswick MA, Chakrabarti M, Paine TK, Fujisawa K, Münck E, Que L. Oxygen activation at mononuclear nonheme iron centers: a superoxo perspective. Inorganic Chemistry. 49: 3618-28. PMID 20380464 DOI: 10.1021/Ic901891N  0.814
2010 Janardanan D, Wang Y, Schyman P, Que L, Shaik S. The fundamental role of exchange-enhanced reactivity in C-H activation by S = 2 oxo iron(IV) complexes Angewandte Chemie - International Edition. 49: 3342-3345. PMID 20358569 DOI: 10.1002/Anie.201000004  0.49
2010 Torres Martin De Rosales R, Faiella M, Farquhar E, Que L, Andreozzi C, Pavone V, Maglio O, Nastri F, Lombardi A. Spectroscopic and metal-binding properties of DF3: An artificial protein able to accommodate different metal ions Journal of Biological Inorganic Chemistry. 15: 717-728. PMID 20225070 DOI: 10.1007/S00775-010-0639-9  0.703
2010 Paine TK, Paria S, Que L. Oxidative decarboxylation of alpha-hydroxy acids by a functional model of the nonheme iron oxygenase, CloR. Chemical Communications (Cambridge, England). 46: 1830-2. PMID 20198223 DOI: 10.1039/B925389K  0.838
2010 Garcia-Bosch I, Company A, Frisch JR, Torrent-Sucarrat M, Cardellach M, Gamba I, Güell M, Casella L, Que L, Ribas X, Luis JM, Costas M. O2 activation and selective phenolate ortho hydroxylation by an unsymmetric dicopper mu-eta1:eta1-peroxido complex. Angewandte Chemie (International Ed. in English). 49: 2406-9. PMID 20191646 DOI: 10.1002/Anie.200906749  0.765
2010 Li F, England J, Que L. Near-stoichiometric conversion of H(2)O(2) to Fe(IV)=O at a nonheme iron(II) center. Insights into the O-O bond cleavage step. Journal of the American Chemical Society. 132: 2134-5. PMID 20121136 DOI: 10.1021/ja9101908  0.498
2009 Wang D, Farquhar ER, Stubna A, Münck E, Que L. A diiron(IV) complex that cleaves strong C-H and O-H bonds. Nature Chemistry. 1: 145-50. PMID 19885382 DOI: 10.1038/Nchem.162  0.862
2009 Makhlynets OV, Das P, Taktak S, Flook M, Mas-Ballesté R, Rybak-Akimova EV, Que L. Iron-promoted ortho-And/or ipso-hydroxylation of benzoic acids with H 2O2 Chemistry - a European Journal. 15: 13171-13180. PMID 19876966 DOI: 10.1002/Chem.200901296  0.546
2009 Fiedler AT, Que L. Reactivities of Fe(IV) complexes with oxo, hydroxo, and alkylperoxo ligands: an experimental and computational study. Inorganic Chemistry. 48: 11038-47. PMID 19863068 DOI: 10.1021/Ic901391Y  0.527
2009 Costas M, Que L. Ligand topology tuning of iron-catalyzed hydrocarbon oxidations. Angewandte Chemie (International Ed. in English). 41: 2179-81. PMID 19746637  0.36
2009 Vu VV, Emerson JP, Martinho M, Kim YS, Münck E, Park MH, Que L. Human deoxyhypusine hydroxylase, an enzyme involved in regulating cell growth, activates O2 with a nonheme diiron center. Proceedings of the National Academy of Sciences of the United States of America. 106: 14814-9. PMID 19706422 DOI: 10.1073/Pnas.0904553106  0.815
2009 Johansson AJ, Noack H, Siegbahn PE, Xue G, Que L. Observed enhancement of the reactivity of a biomimetic diiron complex by the addition of water - mechanistic insights from theoretical modeling. Dalton Transactions (Cambridge, England : 2003). 6741-50. PMID 19690685 DOI: 10.1039/b907263b  0.463
2009 Frisch JR, Vu VV, Martinho M, Münck E, Que L. Characterization of two distinct adducts in the reaction of a nonheme diiron(II) complex with O2. Inorganic Chemistry. 48: 8325-36. PMID 19610611 DOI: 10.1021/Ic900961K  0.832
2009 England J, Martinho M, Farquhar ER, Frisch JR, Bominaar EL, Münck E, Que L. A synthetic high-spin oxoiron(IV) complex: generation, spectroscopic characterization, and reactivity. Angewandte Chemie (International Ed. in English). 48: 3622-6. PMID 19373820 DOI: 10.1002/Anie.200900863  0.857
2009 Martinho M, Xue G, Fiedler AT, Que L, Bominaar EL, Münck E. Mössbauer and DFT study of the ferromagnetically coupled diiron(IV) precursor to a complex with an Fe(IV)(2)O(2) diamond core. Journal of the American Chemical Society. 131: 5823-30. PMID 19338307 DOI: 10.1021/Ja8098917  0.518
2009 Company A, Feng Y, Güell M, Ribas X, Luis JM, Que L, Costas M. Olefin-dependent discrimination between two nonheme HO-FeV=O tautomeric species in catalytic H2O2 epoxidations. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 3359-62. PMID 19229926 DOI: 10.1002/Chem.200802597  0.436
2009 Mukherjee A, Martinho M, Bominaar EL, Münck E, Que L. Shape-selective interception by hydrocarbons of the O2-derived oxidant of a biomimetic nonheme iron complex. Angewandte Chemie (International Ed. in English). 48: 1780-3. PMID 19180613 DOI: 10.1002/Anie.200805342  0.675
2009 Klinker EJ, Shaik S, Hirao H, Que L. A two-state reactivity model explains unusual kinetic isotope effect patterns in C-H bond cleavage by nonheme oxoiron(IV) complexes. Angewandte Chemie (International Ed. in English). 48: 1291-5. PMID 19130517 DOI: 10.1002/Anie.200804029  0.79
2009 Feng Y, Ke CY, Xue G, Que L. Bio-inspired arene cis-dihydroxylation by a non-haem iron catalyst modeling the action of naphthalene dioxygenase. Chemical Communications (Cambridge, England). 50-2. PMID 19081995 DOI: 10.1039/b817222f  0.407
2008 Bell CB, Wong SD, Xiao Y, Klinker EJ, Tenderholt AL, Smith MC, Rohde JU, Que L, Cramer SP, Solomon EI. A combined NRVS and DFT study of Fe(IV)=O model complexes: a diagnostic method for the elucidation of non-heme iron enzyme intermediates. Angewandte Chemie (International Ed. in English). 47: 9071-4. PMID 18925598 DOI: 10.1002/Anie.200803740  0.877
2008 Gunderson WA, Zatsman AI, Emerson JP, Farquhar ER, Que L, Lipscomb JD, Hendrich MP. Electron paramagnetic resonance detection of intermediates in the enzymatic cycle of an extradiol dioxygenase. Journal of the American Chemical Society. 130: 14465-7. PMID 18839948 DOI: 10.1021/Ja8052255  0.827
2008 Fiedler AT, Shan X, Mehn MP, Kaizer J, Torelli S, Frisch JR, Kodera M, Que L. Spectroscopic and computational studies of (mu-oxo)(mu-1,2-peroxo)diiron(III) complexes of relevance to nonheme diiron oxygenase intermediates. The Journal of Physical Chemistry. A. 112: 13037-44. PMID 18811130 DOI: 10.1021/Jp8038225  0.876
2008 Ray K, England J, Fiedler AT, Martinho M, Münck E, Que L. An inverted and more oxidizing isomer of [Fe(IV)(O)(tmc)(NCCH3)]2+. Angewandte Chemie (International Ed. in English). 47: 8068-71. PMID 18798182 DOI: 10.1002/Anie.200802219  0.811
2008 Jackson TA, Rohde JU, Seo MS, Sastri CV, DeHont R, Stubna A, Ohta T, Kitagawa T, Münck E, Nam W, Que L. Axial ligand effects on the geometric and electronic structures of nonheme oxoiron(IV) complexes. Journal of the American Chemical Society. 130: 12394-407. PMID 18712873 DOI: 10.1021/Ja8022576  0.877
2008 Thibon A, England J, Martinho M, Young VG, Frisch JR, Guillot R, Girerd JJ, Münck E, Que L, Banse F. Proton- and reductant-assisted dioxygen activation by a nonheme iron(II) complex to form an oxoiron(IV) intermediate. Angewandte Chemie (International Ed. in English). 47: 7064-7. PMID 18677790 DOI: 10.1002/Anie.200801832  0.87
2008 Emerson JP, Kovaleva EG, Farquhar ER, Lipscomb JD, Que L. Swapping metals in Fe- and Mn-dependent dioxygenases: evidence for oxygen activation without a change in metal redox state. Proceedings of the National Academy of Sciences of the United States of America. 105: 7347-52. PMID 18492808 DOI: 10.1073/Pnas.0711179105  0.842
2008 Shan X, Que L. Unexpected kinetic complexity in the formation of a nonheme oxoiron(IV) complex. Chemical Communications (Cambridge, England). 2209-11. PMID 18463742 DOI: 10.1039/b716036d  0.377
2008 Ray K, Lee SM, Que L. Iron-oxidation-state-dependent O-O bond cleavage of meta-chloroperbenzoic acid to form an iron(IV)-oxo complex. Inorganica Chimica Acta. 361: 1066-1069. PMID 18443654 DOI: 10.1016/j.ica.2007.07.039  0.768
2008 Krzystek J, England J, Ray K, Ozarowski A, Smirnov D, Que L, Telser J. Determination by high-frequency and -field EPR of zero-field splitting in iron(IV) oxo complexes: implications for intermediates in nonheme iron enzymes. Inorganic Chemistry. 47: 3483-5. PMID 18386920 DOI: 10.1021/Ic800411C  0.721
2008 Chanda A, Shan X, Chakrabarti M, Ellis WC, Popescu DL, Tiago de Oliveira F, Wang D, Que L, Collins TJ, Münck E, Bominaar EL. (TAML)FeIV O complex in aqueous solution: synthesis and spectroscopic and computational characterization. Inorganic Chemistry. 47: 3669-78. PMID 18380453 DOI: 10.1021/Ic7022902  0.871
2008 Mas-Balleste R, Fujita M, Que L. High-valent iron-mediated cis-hydroxyacetoxylation of olefins. Dalton Transactions (Cambridge, England : 2003). 1828-30. PMID 18369488 DOI: 10.1039/b802587h  0.418
2008 Suzuki K, Oldenburg PD, Que L. Iron-catalyzed asymmetric olefin cis-dihydroxylation with 97% enantiomeric excess. Angewandte Chemie (International Ed. in English). 47: 1887-9. PMID 18236485 DOI: 10.1002/Anie.200705061  0.811
2008 Zhou Y, Shan X, Mas-Ballesté R, Bukowski MR, Stubna A, Chakrabarti M, Slominski L, Halfen JA, Münck E, Que L. Contrasting cis and trans effects on the reactivity of nonheme oxoiron(IV) complexes. Angewandte Chemie (International Ed. in English). 47: 1896-9. PMID 18228548 DOI: 10.1002/Anie.200704228  0.788
2008 Friese SJ, Kucera BE, Young VG, Que L, Tolman WB. Iron(II) complexes of sterically bulky alpha-ketocarboxylates. structural models for alpha-ketoacid-dependent nonheme iron halogenases. Inorganic Chemistry. 47: 1324-31. PMID 18217706 DOI: 10.1021/Ic701823Y  0.496
2008 Hirao H, Que L, Nam W, Shaik S. A two-state reactivity rationale for counterintuitive axial ligand effects on the C-H activation reactivity of nonheme FeIV=O oxidants. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 1740-56. PMID 18186094 DOI: 10.1002/Chem.200701739  0.499
2007 Smith AL, Day CS, Que L, Zhou Y, Bierbach U. Unexpected Assembly of a Novel Triply Bridged Diiron(II) Core by a Bidentate Schiff Base Ligand. Inorganica Chimica Acta. 360: 2824-2828. PMID 19626127 DOI: 10.1016/j.ica.2007.01.001  0.711
2007 Xue G, Wang D, De Hont R, Fiedler AT, Shan X, Münck E, Que L. A synthetic precedent for the [FeIV2(mu-O)2] diamond core proposed for methane monooxygenase intermediate Q. Proceedings of the National Academy of Sciences of the United States of America. 104: 20713-8. PMID 18093922 DOI: 10.1073/Pnas.0708516105  0.858
2007 Company A, Gómez L, Güell M, Ribas X, Luis JM, Que L, Costas M. Alkane hydroxylation by a nonheme iron catalyst that challenges the heme paradigm for oxygenase action. Journal of the American Chemical Society. 129: 15766-7. PMID 18052284 DOI: 10.1021/Ja077761N  0.314
2007 Decker A, Rohde JU, Klinker EJ, Wong SD, Que L, Solomon EI. Spectroscopic and quantum chemical studies on low-spin FeIV=O complexes: Fe-O bonding and its contributions to reactivity. Journal of the American Chemical Society. 129: 15983-96. PMID 18052249 DOI: 10.1021/Ja074900S  0.868
2007 Mas-Ballesté R, Que L. Iron-catalyzed olefin epoxidation in the presence of acetic acid: insights into the nature of the metal-based oxidant. Journal of the American Chemical Society. 129: 15964-72. PMID 18052063 DOI: 10.1021/ja075115i  0.487
2007 Sastri CV, Lee J, Oh K, Lee YJ, Lee J, Jackson TA, Ray K, Hirao H, Shin W, Halfen JA, Kim J, Que L, Shaik S, Nam W. Axial ligand tuning of a nonheme iron(IV)-oxo unit for hydrogen atom abstraction. Proceedings of the National Academy of Sciences of the United States of America. 104: 19181-6. PMID 18048327 DOI: 10.1073/Pnas.0709471104  0.819
2007 Emerson JP, Farquhar ER, Que L. Structural "snapshots" along reaction pathways of non-heme iron enzymes. Angewandte Chemie (International Ed. in English). 46: 8553-6. PMID 17924385 DOI: 10.1002/Anie.200703057  0.76
2007 Shan X, Rohde JU, Koehntop KD, Zhou Y, Bukowski MR, Costas M, Fujisawa K, Que L. X-ray absorption spectroscopic studies of high-spin nonheme (alkylperoxo)iron(III) intermediates. Inorganic Chemistry. 46: 8410-7. PMID 17764172 DOI: 10.1021/Ic700649W  0.849
2007 Klotz KL, Slominski LM, Hull AV, Gottsacker VM, Mas-Ballesté R, Que L, Halfen JA. Non-heme iron(II) complexes are efficient olefin aziridination catalysts. Chemical Communications (Cambridge, England). 2063-5. PMID 17713079 DOI: 10.1039/b700493a  0.413
2007 Que L. The road to non-heme oxoferryls and beyond. Accounts of Chemical Research. 40: 493-500. PMID 17595051 DOI: 10.1021/ar700024g  0.426
2007 Rohde JU, Betley TA, Jackson TA, Saouma CT, Peters JC, Que L. XAS characterization of a nitridoiron(IV) complex with a very short Fe-N bond. Inorganic Chemistry. 46: 5720-6. PMID 17569533 DOI: 10.1021/Ic700818Q  0.749
2007 Company A, Gómez L, Mas-Ballesté R, Korendovych IV, Ribas X, Poater A, Parella T, Fontrodona X, Benet-Buchholz J, Solà M, Que L, Rybak-Akimova EV, Costas M. Fast O2 binding at dicopper complexes containing Schiff-base dinucleating ligands Inorganic Chemistry. 46: 4997-5012. PMID 17500512 DOI: 10.1021/Ic0701108  0.381
2007 Paine TK, England J, Que L. Iron-catalyzed C2-C3 bond cleavage of phenylpyruvate with O2: insight into aliphatic C-C bond-cleaving dioxygenases. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 6073-81. PMID 17469086 DOI: 10.1002/Chem.200601844  0.729
2007 Jensen MP, Payeras AM, Fiedler AT, Costas M, Kaizer J, Stubna A, Münck E, Que L. Kinetic analysis of the conversion of nonheme (alkylperoxo)iron(III) species to iron(IV) complexes. Inorganic Chemistry. 46: 2398-408. PMID 17326618 DOI: 10.1021/Ic0607787  0.845
2007 Tiago de Oliveira F, Chanda A, Banerjee D, Shan X, Mondal S, Que L, Bominaar EL, Münck E, Collins TJ. Chemical and spectroscopic evidence for an FeV-oxo complex. Science (New York, N.Y.). 315: 835-8. PMID 17185561 DOI: 10.1126/Science.1133417  0.863
2007 Mas-Ballesté R, Costas M, van den Berg T, Que L. Ligand topology effects on olefin oxidations by bio-inspired [FeII(N2Py2)] catalysts. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 7489-500. PMID 16871511 DOI: 10.1002/chem.200600453  0.318
2006 Oldenburg PD, Ke CY, Tipton AA, Shteinman AA, Que L. A structural and functional model for dioxygenases with a 2-His-1-carboxylate triad. Angewandte Chemie (International Ed. in English). 45: 7975-8. PMID 17096444 DOI: 10.1002/Anie.200603486  0.763
2006 Klinker EJ, Jackson TA, Jensen MP, Stubna A, Juhász G, Bominaar EL, Münck E, Que L. A tosylimido analogue of a nonheme oxoiron(IV) complex. Angewandte Chemie (International Ed. in English). 45: 7394-7. PMID 17039556 DOI: 10.1002/Anie.200602799  0.804
2006 Collins MJ, Ray K, Que L. electrochemical generation of a nonheme oxoiron(IV) complex. Inorganic Chemistry. 45: 8009-11. PMID 16999397 DOI: 10.1021/ic061263i  0.734
2006 Klein DP, Young VG, Tolman WB, Que L. Mononitrosyl iron complexes supported by sterically hindered carboxylate ligands. Inorganic Chemistry. 45: 8006-8. PMID 16999396 DOI: 10.1021/Ic0610740  0.476
2006 Friese SJ, Kucera BE, Que L, Tolman WB. Self-assembly of the 2-His-1-carboxylate facial triad in mononuclear iron(II) and zinc(II) models of metalloenzyme active sites. Inorganic Chemistry. 45: 8003-5. PMID 16999395 DOI: 10.1021/Ic061564S  0.401
2006 Mehn MP, Brown SD, Jenkins DM, Peters JC, Que L. Vibrational spectroscopy and analysis of pseudo-tetrahedral complexes with metal imido bonds. Inorganic Chemistry. 45: 7417-27. PMID 16933946 DOI: 10.1021/Ic060670R  0.781
2006 Bautz J, Comba P, Que L. Spin-crossover in an iron(III)-bispidine-alkylperoxide system. Inorganic Chemistry. 45: 7077-82. PMID 16933906 DOI: 10.1021/Ic0602401  0.395
2006 Rohde JU, Stubna A, Bominaar EL, Münck E, Nam W, Que L. Nonheme oxoiron(IV) complexes of tris(2-pyridylmethyl)amine with cis-monoanionic ligands. Inorganic Chemistry. 45: 6435-45. PMID 16878956 DOI: 10.1021/Ic060740U  0.874
2006 Bautz J, Bukowski MR, Kerscher M, Stubna A, Comba P, Lienke A, Münck E, Que L. Formation of an aqueous oxoiron(IV) complex at pH 2-6 from a nonheme iron(II) complex and H2O2. Angewandte Chemie (International Ed. in English). 45: 5681-4. PMID 16858708 DOI: 10.1002/Anie.200601134  0.838
2006 Jensen MP, Que EL, Shan X, Rybak-Akimova E, Que L. Spectroscopic and kinetic studies of the reaction of [Cu I(6-PhTPA)]+ with O2 Dalton Transactions. 3523-3527. PMID 16855753 DOI: 10.1039/B603285K  0.7
2006 Company A, Lamata D, Poater A, Solà M, Rybak-Akimova EV, Que L, Fontrodona X, Parella T, Llobet A, Costas M. O2 chemistry of dicopper complexes with alkyltriamine ligands. Comparing synergistic effects on O2 binding. Inorganic Chemistry. 45: 5239-41. PMID 16813375 DOI: 10.1021/Ic0602446  0.377
2006 Hirao H, Kumar D, Que L, Shaik S. Two-state reactivity in alkane hydroxylation by non-heme iron-oxo complexes. Journal of the American Chemical Society. 128: 8590-606. PMID 16802826 DOI: 10.1021/Ja061609O  0.482
2006 Bukowski MR, Comba P, Lienke A, Limberg C, Lopez de Laorden C, Mas-Ballesté R, Merz M, Que L. Catalytic epoxidation and 1,2-dihydroxylation of olefins with bispidine-iron(II)/H2O2 systems. Angewandte Chemie (International Ed. in English). 45: 3446-9. PMID 16637091 DOI: 10.1002/Anie.200504357  0.734
2006 Paine TK, Costas M, Kaizer J, Que L. Oxoiron(IV) complexes of the tris(2-pyridylmethyl)amine ligand family: effect of pyridine alpha-substituents. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 11: 272-6. PMID 16532334 DOI: 10.1007/S00775-006-0089-6  0.657
2006 Shan X, Que L. High-valent nonheme iron-oxo species in biomimetic oxidations. Journal of Inorganic Biochemistry. 100: 421-33. PMID 16530841 DOI: 10.1016/j.jinorgbio.2006.01.014  0.529
2006 Mehn MP, Brown SD, Paine TK, Brennessel WW, Cramer CJ, Peters JC, Que L. High-spin and low-spin iron(II) complexes with facially-coordinated borohydride ligands. Dalton Transactions (Cambridge, England : 2003). 1347-51. PMID 16505914 DOI: 10.1039/B509580H  0.851
2006 Koehntop KD, Marimanikkuppam S, Ryle MJ, Hausinger RP, Que L. Self-hydroxylation of taurine/alpha-ketoglutarate dioxygenase: evidence for more than one oxygen activation mechanism. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 11: 63-72. PMID 16320009 DOI: 10.1007/S00775-005-0059-4  0.877
2005 Oh NY, Seo MS, Lim MH, Consugar MB, Park MJ, Rohde JU, Han J, Kim KM, Kim J, Que L, Nam W. Self-hydroxylation of perbenzoic acids at a nonheme iron(II) center. Chemical Communications (Cambridge, England). 5644-6. PMID 16292376 DOI: 10.1039/B511302D  0.639
2005 Oldenburg PD, Shteinman AA, Que L. Iron-catalyzed olefin cis-dihydroxylation using a bio-inspired N,N,O-ligand. Journal of the American Chemical Society. 127: 15672-3. PMID 16277487 DOI: 10.1021/Ja054947I  0.859
2005 Bukowski MR, Koehntop KD, Stubna A, Bominaar EL, Halfen JA, Münck E, Nam W, Que L. A thiolate-ligated nonheme oxoiron(IV) complex relevant to cytochrome P450. Science (New York, N.Y.). 310: 1000-2. PMID 16254150 DOI: 10.1126/Science.1119092  0.837
2005 Taktak S, Flook M, Foxman BM, Que L, Rybak-Akimova EV. Ortho-hydroxylation of benzoic acids with hydrogen peroxide at a non-heme iron center. Chemical Communications (Cambridge, England). 5301-3. PMID 16244735 DOI: 10.1039/B508004E  0.406
2005 Emerson JP, Wagner ML, Reynolds MF, Que L, Sadowsky MJ, Wackett LP. The role of histidine 200 in MndD, the Mn(II)-dependent 3,4-dihydroxyphenylacetate 2,3-dioxygenase from Arthrobacter globiformis CM-2, a site-directed mutagenesis study. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 10: 751-60. PMID 16217642 DOI: 10.1007/S00775-005-0017-1  0.724
2005 Pestovsky O, Stoian S, Bominaar EL, Shan X, Münck E, Que L, Bakac A. Aqueous FeIV==O: spectroscopic identification and oxo-group exchange. Angewandte Chemie (International Ed. in English). 44: 6871-4. PMID 16206322 DOI: 10.1002/Anie.200502686  0.751
2005 Farquhar ER, Koehntop KD, Emerson JP, Que L. Post-translational self-hydroxylation: a probe for oxygen activation mechanisms in non-heme iron enzymes. Biochemical and Biophysical Research Communications. 338: 230-9. PMID 16165090 DOI: 10.1016/J.Bbrc.2005.08.191  0.835
2005 Sastri CV, Park MJ, Ohta T, Jackson TA, Stubna A, Seo MS, Lee J, Kim J, Kitagawa T, Münck E, Que L, Nam W. Axial ligand substituted nonheme FeIV=O complexes: observation of near-UV LMCT bands and Fe=O Raman vibrations. Journal of the American Chemical Society. 127: 12494-5. PMID 16144389 DOI: 10.1021/Ja0540573  0.862
2005 Jensen MP, Costas M, Ho RY, Kaizer J, Mairata i Payeras A, Münck E, Que L, Rohde JU, Stubna A. High-valent nonheme iron. Two distinct iron(IV) species derived from a common iron(II) precursor. Journal of the American Chemical Society. 127: 10512-25. PMID 16045338 DOI: 10.1021/Ja0438765  0.878
2005 Kumar D, Hirao H, Que L, Shaik S. Theoretical investigation of C--H hydroxylation by (N4Py)Fe(IV)=O(2+): an oxidant more powerful than P450? Journal of the American Chemical Society. 127: 8026-7. PMID 15926822 DOI: 10.1021/Ja0512428  0.567
2005 Klinker EJ, Kaizer J, Brennessel WW, Woodrum NL, Cramer CJ, Que L. Structures of nonheme oxoiron(IV) complexes from X-ray crystallography, NMR spectroscopy, and DFT calculations. Angewandte Chemie (International Ed. in English). 44: 3690-4. PMID 15915527 DOI: 10.1002/Anie.200500485  0.791
2005 Tierney DL, Rocklin AM, Lipscomb JD, Que L, Hoffman BM. ENDOR studies of the ligation and structure of the non-heme iron site in ACC oxidase. Journal of the American Chemical Society. 127: 7005-13. PMID 15884944 DOI: 10.1021/Ja0500862  0.873
2005 Quiñonero D, Morokuma K, Musaev DG, Mas-Ballesté R, Que L. Metal-peroxo versus metal-oxo oxidants in non-heme iron-catalyzed olefin oxidations: computational and experimental studies on the effect of water. Journal of the American Chemical Society. 127: 6548-9. PMID 15869272 DOI: 10.1021/Ja051062Y  0.425
2005 Bassan A, Blomberg MR, Siegbahn PE, Que L. Two faces of a biomimetic non-heme HO-Fe(v)=O oxidant: olefin epoxidation versus cis-dihydroxylation. Angewandte Chemie (International Ed. in English). 44: 2939-41. PMID 15812868 DOI: 10.1002/anie.200463072  0.421
2005 Shan X, Que L. Intermediates in the oxygenation of a nonheme diiron(II) complex, including the first evidence for a bound superoxo species. Proceedings of the National Academy of Sciences of the United States of America. 102: 5340-5. PMID 15802473 DOI: 10.1073/pnas.0409640102  0.482
2005 Rohde JU, Que L. Axial coordination of carboxylate activates the non-heme FeIV=O unit. Angewandte Chemie (International Ed. in English). 44: 2255-8. PMID 15739239 DOI: 10.1002/anie.200462631  0.612
2005 Koehntop KD, Emerson JP, Que L. The 2-His-1-carboxylate facial triad: a versatile platform for dioxygen activation by mononuclear non-heme iron(II) enzymes. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 10: 87-93. PMID 15739104 DOI: 10.1007/S00775-005-0624-X  0.833
2005 Paine TK, Zheng H, Que L. Iron Coordination Chemistry of Phenylpyruvate: An Unexpected kappa3-bridging mode that leads to oxidative cleavage of the C2-C3 bond. Inorganic Chemistry. 44: 474-6. PMID 15679371 DOI: 10.1021/Ic048427K  0.722
2005 Kryatov SV, Taktak S, Korendovych IV, Rybak-Akimova EV, Kaizer J, Torelli S, Shan X, Mandal S, MacMurdo VL, Mairata i Payeras A, Que L. Dioxygen binding to complexes with Fe(II)2(mu-OH)2 cores: steric control of activation barriers and O2-adduct formation. Inorganic Chemistry. 44: 85-99. PMID 15627364 DOI: 10.1021/Ic0485312  0.867
2005 Bukowski MR, Halfen HL, van den Berg TA, Halfen JA, Que L. Spin-state rationale for the peroxo-stabilizing role of the thiolate ligand in superoxide reductase. Angewandte Chemie (International Ed. in English). 44: 584-7. PMID 15602754 DOI: 10.1002/Anie.200461527  0.652
2005 Bassan A, Blomberg MRA, Siegbahn PEM, Que L. A density functional study on a biomimetic non-heme iron catalyst: Insights into alkane hydroxylation by a formally HO-Fev=O oxidant Chemistry - a European Journal. 11: 692-705. PMID 15580652 DOI: 10.1002/chem.200400383  0.517
2004 Rohde JU, Torelli S, Shan X, Lim MH, Klinker EJ, Kaizer J, Chen K, Nam W, Que L. Structural insights into nonheme alkylperoxoiron(III) and oxoiron(IV) intermediates by X-ray absorption spectroscopy. Journal of the American Chemical Society. 126: 16750-61. PMID 15612713 DOI: 10.1021/Ja047667W  0.88
2004 Koehntop KD, Rohde JU, Costas M, Que L. XAS characterization of end-on and side-on peroxoiron(III) complexes of the neutral pentadentate N-donor ligand N-methyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine. Dalton Transactions (Cambridge, England : 2003). 3191-8. PMID 15483700 DOI: 10.1039/B409727K  0.87
2004 Mairata i Payeras A, Ho RY, Fujita M, Que L. The reaction of [FeII(tpa)] with H2O2 in acetonitrile and acetone--distinct intermediates and yet similar catalysis. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 4944-53. PMID 15372680 DOI: 10.1002/chem.200400480  0.508
2004 Liu P, Mehn MP, Yan F, Zhao Z, Que L, Liu HW. Oxygenase activity in the self-hydroxylation of (s)-2-hydroxypropylphosphonic acid epoxidase involved in fosfomycin biosynthesis. Journal of the American Chemical Society. 126: 10306-12. PMID 15315444 DOI: 10.1021/Ja0475050  0.819
2004 Que L. The oxo/peroxo debate: a nonheme iron perspective. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 9: 684-90. PMID 15300470 DOI: 10.1007/s00775-004-0574-8  0.383
2004 Stubna A, Jo DH, Costas M, Brenessel WW, Andres H, Bominaar EL, Münck E, Que L. A structural and Mössbauer study of complexes with Fe(2)(micro-O(H))(2) cores: stepwise oxidation from Fe(II)(micro-OH)(2)Fe(II) through Fe(II)(micro-OH)(2)Fe(III) to Fe(III)(micro-O)(micro-OH)Fe(III). Inorganic Chemistry. 43: 3067-79. PMID 15132612 DOI: 10.1021/Ic030296K  0.856
2004 Seo MS, In JH, Kim SO, Oh NY, Hong J, Kim J, Que L, Nam W. Direct evidence for oxygen-atom exchange between nonheme oxoiron(IV) complexes and isotopically labeled water. Angewandte Chemie (International Ed. in English). 43: 2417-20. PMID 15114578 DOI: 10.1002/Anie.200353497  0.396
2004 Decker A, Rohde JU, Que L, Solomon EI. Spectroscopic and quantum chemical characterization of the electronic structure and bonding in a non-heme FeIV[double bond]O complex. Journal of the American Chemical Society. 126: 5378-9. PMID 15113207 DOI: 10.1021/Ja0498033  0.683
2004 Vetting MW, Wackett LP, Que L, Lipscomb JD, Ohlendorf DH. Crystallographic comparison of manganese- and iron-dependent homoprotocatechuate 2,3-dioxygenases. Journal of Bacteriology. 186: 1945-58. PMID 15028678 DOI: 10.1128/Jb.186.7.1945-1958.2004  0.579
2004 Kryatov SV, Chavez FA, Reynolds AM, Rybak-Akimova EV, Que L, Tolman WB. Mechanistic studies on the formation and reactivity of dioxygen adducts of diiron complexes supported by sterically hindered carboxylates. Inorganic Chemistry. 43: 2141-50. PMID 15018538 DOI: 10.1021/Ic049976T  0.438
2004 Bukowski MR, Comba P, Limberg C, Merz M, Que L, Wistuba T. Bispidine ligand effects on iron/hydrogen peroxide chemistry. Angewandte Chemie (International Ed. in English). 43: 1283-7. PMID 14991800 DOI: 10.1002/Anie.200352523  0.721
2004 Costas M, Mehn MP, Jensen MP, Que L. Dioxygen activation at mononuclear nonheme iron active sites: enzymes, models, and intermediates. Chemical Reviews. 104: 939-86. PMID 14871146 DOI: 10.1021/Cr020628N  0.769
2004 Ghosh A, Tangen E, Gonzalez E, Que L. Models of high-valent intermediates of non-heme diiron alkane monooxygenases: electronic structure of a bis(micro-oxo)diron(IV) complex with locally low-spin metal centers. Angewandte Chemie (International Ed. in English). 43: 834-8. PMID 14767952 DOI: 10.1002/Anie.200351768  0.805
2004 Kaizer J, Klinker EJ, Oh NY, Rohde JU, Song WJ, Stubna A, Kim J, Münck E, Nam W, Que L. Nonheme FeIVO complexes that can oxidize the C-H bonds of cyclohexane at room temperature. Journal of the American Chemical Society. 126: 472-3. PMID 14719937 DOI: 10.1021/Ja037288N  0.821
2004 Rocklin AM, Kato K, Liu HW, Que L, Lipscomb JD. Mechanistic studies of 1-aminocyclopropane-1-carboxylic acid oxidase: single turnover reaction. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 9: 171-82. PMID 14714198 DOI: 10.1007/S00775-003-0510-3  0.873
2004 Bukowski MR, Zhu S, Koehntop KD, Brennessel WW, Que L. Characterization of an Fe III-OOH species and its decomposition product in a bleomycin model system. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 9: 39-48. PMID 14564557 DOI: 10.1007/S00775-003-0494-Z  0.878
2004 Kaizer J, Costas M, Que L. A dramatic push effect on the homolysis of FeIII(OOR) intermediates to form non-heme FeIV=O complexes. Angewandte Chemie (International Ed. in English). 42: 3671-3. PMID 12916044 DOI: 10.1002/anie.200351694  0.397
2003 Nam W, Choi SK, Lim MH, Rohde JU, Kim I, Kim J, Kim C, Que L. Reversible formation of iodosylbenzene-iron porphyrin intermediates in the reaction of oxoiron(IV) porphyrin pi-cation radicals and iodobenzene. Angewandte Chemie (International Ed. in English). 42: 109-11. PMID 19757605 DOI: 10.1002/Anie.200390036  0.601
2003 Rohde JU, Bukowski MR, Que L. Functional models for mononuclear nonheme iron enzymes. Current Opinion in Chemical Biology. 7: 674-82. PMID 14644175 DOI: 10.1016/J.Cbpa.2003.10.008  0.786
2003 Costas M, Cady CW, Kryatov SV, Ray M, Ryan MJ, Rybak-Akimova EV, Que L. Role of carboxylate bridges in modulating nonheme diiron(II)/O(2) reactivity. Inorganic Chemistry. 42: 7519-30. PMID 14606847 DOI: 10.1021/Ic034359A  0.758
2003 Skulan AJ, Hanson MA, Hsu HF, Dong Y, Que L, Solomon EI. EPR spectroscopy of [Fe2O2(5-Et3-TPA)2]3+: electronic origin of the unique spin-Hamiltonian parameters of the Fe2(III,IV)O2 diamond core. Inorganic Chemistry. 42: 6489-96. PMID 14514326 DOI: 10.1021/Ic034170Z  0.469
2003 Jensen MP, Mehn MP, Que L. Intramolecular aromatic amination through iron-mediated nitrene transfer. Angewandte Chemie (International Ed. in English). 42: 4357-60. PMID 14502710 DOI: 10.1002/Anie.200351605  0.772
2003 Fujita M, Costas M, Que L. Iron-catalyzed olefin cis-dihydroxylation by H2O2: electrophilic versus nucleophilic mechanisms. Journal of the American Chemical Society. 125: 9912-3. PMID 12914440 DOI: 10.1021/ja029863d  0.435
2003 Mehn MP, Fujisawa K, Hegg EL, Que L. Oxygen activation by nonheme iron(II) complexes: alpha-keto carboxylate versus carboxylate. Journal of the American Chemical Society. 125: 7828-42. PMID 12823001 DOI: 10.1021/Ja028867F  0.815
2003 Skulan AJ, Hanson MA, Hsu HF, Que L, Solomon EI. Spectroscopic study of [Fe2O2(5-Et3-TPA)2]3+: nature of the Fe2O2 diamond core and its possible relevance to high-valent binuclear non-heme enzyme intermediates. Journal of the American Chemical Society. 125: 7344-56. PMID 12797809 DOI: 10.1021/Ja021137N  0.504
2003 Roelfes G, Vrajmasu V, Chen K, Ho RY, Rohde JU, Zondervan C, La Crois RM, Schudde EP, Lutz M, Spek AL, Hage R, Feringa BL, Münck E, Que L. End-on and side-on peroxo derivatives of non-heme iron complexes with pentadentate ligands: models for putative intermediates in biological iron/dioxygen chemistry. Inorganic Chemistry. 42: 2639-53. PMID 12691572 DOI: 10.1021/Ic034065P  0.84
2003 Lim MH, Rohde JU, Stubna A, Bukowski MR, Costas M, Ho RY, Munck E, Nam W, Que L. An FeIV=O complex of a tetradentate tripodal nonheme ligand. Proceedings of the National Academy of Sciences of the United States of America. 100: 3665-70. PMID 12644707 DOI: 10.1073/Pnas.0636830100  0.883
2003 Ryle MJ, Koehntop KD, Liu A, Que L, Hausinger RP. Interconversion of two oxidized forms of taurine/alpha-ketoglutarate dioxygenase, a non-heme iron hydroxylase: evidence for bicarbonate binding. Proceedings of the National Academy of Sciences of the United States of America. 100: 3790-5. PMID 12642663 DOI: 10.1073/Pnas.0636740100  0.86
2003 Ryle MJ, Liu A, Muthukumaran RB, Ho RY, Koehntop KD, McCracken J, Que L, Hausinger RP. O2- and alpha-ketoglutarate-dependent tyrosyl radical formation in TauD, an alpha-keto acid-dependent non-heme iron dioxygenase. Biochemistry. 42: 1854-62. PMID 12590572 DOI: 10.1021/Bi026832M  0.86
2003 Jensen MP, Lange SJ, Mehn MP, Que EL, Que L. Biomimetic aryl hydroxylation derived from alkyl hydroperoxide at a nonheme iron center. Evidence for an FeIV=O oxidant Journal of the American Chemical Society. 125: 2113-2128. PMID 12590539 DOI: 10.1021/Ja028478L  0.86
2003 Reynolds MF, Costas M, Ito M, Jo DH, Tipton AA, Whiting AK, Que L. 4-nitrocatechol as a probe of a Mn(II)-dependent extradiol-cleaving catechol dioxygenase (MndD): comparison with relevant Fe(II) and Mn(II) model complexes. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 8: 263-72. PMID 12589562 DOI: 10.1007/s00775-002-0411-x  0.652
2003 Rohde JU, In JH, Lim MH, Brennessel WW, Bukowski MR, Stubna A, Münck E, Nam W, Que L. Crystallographic and spectroscopic characterization of a nonheme Fe(IV)-O complex. Science (New York, N.Y.). 299: 1037-9. PMID 12586936 DOI: 10.1126/Science.299.5609.1037  0.872
2002 Chavez FA, Ho RY, Pink M, Young VG, Kryatov SV, Rybak-Akimova EV, Andres H, Münck E, Que L, Tolman WB. Unusual peroxo intermediates in the reaction of dioxygen with carboxylate-bridged diiron(II,II) paddlewheel complexes. Angewandte Chemie (International Ed. in English). 41: 149-52. PMID 12491468 DOI: 10.1002/1521-3773(20020104)41:1<149::Aid-Anie149>3.0.Co;2-#  0.554
2002 Que L, Tolman WB. Bis(mu-oxo)dimetal "diamond" cores in copper and iron complexes relevant to biocatalysis. Angewandte Chemie (International Ed. in English). 41: 1114-37. PMID 12491240 DOI: 10.1002/1521-3773(20020402)41:7<1114::Aid-Anie1114>3.0.Co;2-6  0.481
2002 Bassan A, Blomberg MRA, Siegbahn PEM, Que L. A density functional study of O-O bond cleavage for a biomimetic non-heme iron complex demonstrating an FeV-intermediate Journal of the American Chemical Society. 124: 11056-11063. PMID 12224953 DOI: 10.1021/ja026488g  0.529
2002 Lehnert N, Neese F, Ho RY, Que L, Solomon EI. Electronic structure and reactivity of low-spin Fe(III)-hydroperoxo complexes: comparison to activated bleomycin. Journal of the American Chemical Society. 124: 10810-22. PMID 12207537 DOI: 10.1021/Ja012621D  0.556
2002 Zhou J, Rocklin AM, Lipscomb JD, Que L, Solomon EI. Spectroscopic studies of 1-aminocyclopropane-1-carboxylic acid oxidase: molecular mechanism and CO(2) activation in the biosynthesis of ethylene. Journal of the American Chemical Society. 124: 4602-9. PMID 11971707 DOI: 10.1021/Ja017250F  0.858
2002 Chen K, Costas M, Kim J, Tipton AK, Que L. Olefin cis-dihydroxylation versus epoxidation by non-heme iron catalysts: two faces of an Fe(III)-OOH coin. Journal of the American Chemical Society. 124: 3026-35. PMID 11902894 DOI: 10.1021/ja0120025  0.516
2002 Mekmouche Y, Hummel H, Ho RYN, Que L, Schünemann V, Thomas F, Trautwein AX, Lebrun C, Gorgy K, Leprêtre JC, Collomb MN, Deronzier A, Fontecave M, Ménage S. Sulfide oxidation by hydrogen peroxide catalyzed by iron complexes: two metal centers are better than one. Chemistry (Weinheim An Der Bergstrasse, Germany). 8: [d]1196-1204. PMID 11891908 DOI: 10.1002/1521-3765(20020301)8:5<1196::Aid-Chem1196>3.0.Co;2-Z  0.428
2002 Smoukov SK, Quaroni L, Wang X, Doan PE, Hoffman BM, Que L. Electro-nuclear double resonance spectroscopic evidence for a hydroxo-bridge nucleophile involved in catalysis by a dinuclear hydrolase. Journal of the American Chemical Society. 124: 2595-603. PMID 11890810 DOI: 10.1021/Ja003169L  0.438
2000 Jo DH, Que L. Tuning the Regiospecificity of Cleavage in Fe Catecholate Complexes: Tridentate Facial versus Meridional Ligands. Angewandte Chemie (International Ed. in English). 39: 4284-4287. PMID 29711917 DOI: 10.1002/1521-3773(20001201)39:23<4284::AID-ANIE4284>3.0.CO;2-I  0.43
1999 Roelfes G, Lubben M, Chen K, Ho RY, Meetsma A, Genseberger S, Hermant RM, Hage R, Mandal SK, Young VG, Zang Y, Kooijman H, Spek AL, Que L, Feringa BL. Iron Chemistry of a Pentadentate Ligand That Generates a Metastable Fe(III)-OOH Intermediate. Inorganic Chemistry. 38: 1929-1936. PMID 11670967 DOI: 10.1021/ic980983p  0.658
1999 Duboc-Toia C, Ménage S, Ho RY, Que L, Lambeaux C, Fontecave M. Enantioselective Sulfoxidation as a Probe for a Metal-Based Mechanism in H(2)O(2)-Dependent Oxidations Catalyzed by a Diiron Complex. Inorganic Chemistry. 38: 1261-1268. PMID 11670911 DOI: 10.1021/Ic980958J  0.489
1975 Que L, Holm RH, Mortenson LE. Letter: Extrusion of Fe2S2 and Fe4S4 cores from the active sites of ferredoxin proteins. Journal of the American Chemical Society. 97: 463-4. PMID 1133364 DOI: 10.1021/Ja00835A064  0.477
1974 Que L, Bobrik MA, Ibers JA, Holm RH. Synthetic analogs of the active sites of iron-sulfur proteins. VII. Ligand substitution reactions of the tetranuclear clusters (Fe4S4(SR)4)2- and the structure of ((CH3)4N)2(Fe4S4(SC6H5)4). Journal of the American Chemical Society. 96: 4168-78. PMID 4854592 DOI: 10.1021/Ja00820A018  0.588
1974 DePamphilis BV, Averill BA, Herskovitz T, Que L, Holm RH. Synthetic analogs of the active sites of iron-sulfur proteins. VI. Spectral and redox characteristics of the tetranuclear clusters (Fe4S4(SR)4).2-. Journal of the American Chemical Society. 96: 4159-67. PMID 4854591 DOI: 10.1021/Ja00820A017  0.707
1974 Bobrik MA, Que L, Holm RH. Synthetic analogs of the active sites of iron-sulfur proteins. IV. Ligand substitution reactions of the tetranuclear clusters (Fe4S4(SR)4)2-. Journal of the American Chemical Society. 96: 285-7. PMID 4810571 DOI: 10.1021/Ja00808A064  0.606
1974 Que L, Anglin JR, Bobrik MA, Davison A, Holm RH. Synthetic analogs of the active sites of iron-sulfur proteins. IX. Formation and some electronic and reactivity properties of Fe4S4 Glycyl-L-cysteinylglycyl oligopeptide complexes obtained by ligand substitution reactions. Journal of the American Chemical Society. 96: 6042-8. PMID 4416035 DOI: 10.1021/Ja00826A014  0.627
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