544 related articles for article (PubMed ID: 21776512)
1. An abiotic analogue of the diiron(IV)oxo "diamond core" of soluble methane monooxygenase generated by direct activation of O2 in aqueous Fe(II)/EDTA solutions: thermodynamics and electronic structure.
Bernasconi L; Belanzoni P; Baerends EJ
Phys Chem Chem Phys; 2011 Sep; 13(33):15272-82. PubMed ID: 21776512
[TBL] [Abstract][Full Text] [Related]
2. O2 activation in a dinuclear Fe(II)/EDTA complex: spin surface crossing as a route to highly reactive Fe(IV)oxo species.
Belanzoni P; Bernasconi L; Baerends EJ
J Phys Chem A; 2009 Oct; 113(43):11926-37. PubMed ID: 19848430
[TBL] [Abstract][Full Text] [Related]
3. Generation of ferryl species through dioxygen activation in iron/EDTA systems: a computational study.
Bernasconi L; Baerends EJ
Inorg Chem; 2009 Jan; 48(2):527-40. PubMed ID: 19072703
[TBL] [Abstract][Full Text] [Related]
4. A non-radical mechanism for methane hydroxylation at the diiron active site of soluble methane monooxygenase.
Yoshizawa K; Yumura T
Chemistry; 2003 May; 9(10):2347-58. PubMed ID: 12772310
[TBL] [Abstract][Full Text] [Related]
5. DFT study of the mechanism for methane hydroxylation by soluble methane monooxygenase (sMMO): effects of oxidation state, spin state, and coordination number.
Huang SP; Shiota Y; Yoshizawa K
Dalton Trans; 2013 Jan; 42(4):1011-23. PubMed ID: 23108153
[TBL] [Abstract][Full Text] [Related]
6. Hydroxylation catalysis by mononuclear and dinuclear iron oxo catalysts: a methane monooxygenase model system versus the Fenton reagent Fe(IV)O(H2O)5(2+).
Gopakumar G; Belanzoni P; Baerends EJ
Inorg Chem; 2012 Jan; 51(1):63-75. PubMed ID: 22221279
[TBL] [Abstract][Full Text] [Related]
7. Density functional theory applied to a difference in pathways taken by the enzymes cytochrome P450 and superoxide reductase: spin States of ferric hydroperoxo intermediates and hydrogen bonds from water.
Surawatanawong P; Tye JW; Hall MB
Inorg Chem; 2010 Jan; 49(1):188-98. PubMed ID: 19968237
[TBL] [Abstract][Full Text] [Related]
8. 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).
Stubna A; Jo DH; Costas M; Brenessel WW; Andres H; Bominaar EL; Münck E; Que L
Inorg Chem; 2004 May; 43(10):3067-79. PubMed ID: 15132612
[TBL] [Abstract][Full Text] [Related]
9. An EPR study of the dinuclear iron site in the soluble methane monooxygenase from Methylococcus capsulatus (Bath) reduced by one electron at 77 K: the effects of component interactions and the binding of small molecules to the diiron(III) center.
Davydov R; Valentine AM; Komar-Panicucci S; Hoffman BM; Lippard SJ
Biochemistry; 1999 Mar; 38(13):4188-97. PubMed ID: 10194335
[TBL] [Abstract][Full Text] [Related]
10. Substrate-dependent H/D kinetic isotope effects and the role of the di(μ-oxo)diiron(IV) core in soluble methane monooxygenase: a theoretical study.
Mai BK; Kim Y
Chemistry; 2014 May; 20(21):6532-41. PubMed ID: 24715359
[TBL] [Abstract][Full Text] [Related]
11. A frontier orbital study with ab initio molecular dynamics of the effects of solvation on chemical reactivity: solvent-induced orbital control in FeO-activated hydroxylation reactions.
Bernasconi L; Baerends EJ
J Am Chem Soc; 2013 Jun; 135(24):8857-67. PubMed ID: 23634772
[TBL] [Abstract][Full Text] [Related]
12. Role of Fe(IV)-oxo intermediates in stoichiometric and catalytic oxidations mediated by iron pyridine-azamacrocycles.
Ye W; Ho DM; Friedle S; Palluccio TD; Rybak-Akimova EV
Inorg Chem; 2012 May; 51(9):5006-21. PubMed ID: 22534174
[TBL] [Abstract][Full Text] [Related]
13. Biomimetic aryl hydroxylation derived from alkyl hydroperoxide at a nonheme iron center. Evidence for an Fe(IV)=O oxidant.
Jensen MP; Lange SJ; Mehn MP; Que EL; Que L
J Am Chem Soc; 2003 Feb; 125(8):2113-28. PubMed ID: 12590539
[TBL] [Abstract][Full Text] [Related]
14. Detailed spectroscopic, thermodynamic, and kinetic studies on the protolytic equilibria of Fe(III)cydta and the activation of hydrogen peroxide.
Brausam A; Maigut J; Meier R; Szilágyi PA; Buschmann HJ; Massa W; Homonnay Z; van Eldik R
Inorg Chem; 2009 Aug; 48(16):7864-84. PubMed ID: 19618946
[TBL] [Abstract][Full Text] [Related]
15. Reactivity of compound II: electronic structure analysis of methane hydroxylation by oxoiron(IV) porphyrin complexes.
Rosa A; Ricciardi G
Inorg Chem; 2012 Sep; 51(18):9833-45. PubMed ID: 22946694
[TBL] [Abstract][Full Text] [Related]
16. Two-step concerted mechanism for methane hydroxylation on the diiron active site of soluble methane monooxygenase.
Yoshizawa K
J Inorg Biochem; 2000 Jan; 78(1):23-34. PubMed ID: 10714702
[TBL] [Abstract][Full Text] [Related]
17. Theoretical study of the mechanism of alkane hydroxylation and ethylene epoxidation reactions catalyzed by diiron bis-oxo complexes. The effect of substrate molecules.
Musaev DG; Basch H; Morokuma K
J Am Chem Soc; 2002 Apr; 124(15):4135-48. PubMed ID: 11942853
[TBL] [Abstract][Full Text] [Related]
18. Conversion of methane to methanol at the mononuclear and dinuclear copper sites of particulate methane monooxygenase (pMMO): a DFT and QM/MM study.
Yoshizawa K; Shiota Y
J Am Chem Soc; 2006 Aug; 128(30):9873-81. PubMed ID: 16866545
[TBL] [Abstract][Full Text] [Related]
19. Substrate-triggered activation of a synthetic [Fe2(μ-O)2] diamond core for C-H bond cleavage.
Xue G; Pokutsa A; Que L
J Am Chem Soc; 2011 Oct; 133(41):16657-67. PubMed ID: 21899336
[TBL] [Abstract][Full Text] [Related]
20. ortho-Hydroxylation of aromatic acids by a non-heme Fe(V)=O species: how important is the ligand design?
Ansari A; Rajaraman G
Phys Chem Chem Phys; 2014 Jul; 16(28):14601-13. PubMed ID: 24812659
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]