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Items: 1 to 20 of 151

1.

Mechanism of Oxidative Activation of Fluorinated Aromatic Compounds by N-Bridged Diiron-Phthalocyanine: What Determines the Reactivity?

Colomban C, Tobing AH, Mukherjee G, Sastri CV, Sorokin AB, de Visser SP.

Chemistry. 2019 Jul 24. doi: 10.1002/chem.201902934. [Epub ahead of print]

PMID:
31339185
2.

Mechanistic Investigation of Oxygen Rebound in a Mononuclear Nonheme Iron Complex.

Pangia TM, Yadav V, Gérard EF, Lin YT, de Visser SP, Jameson GNL, Goldberg DP.

Inorg Chem. 2019 Aug 5;58(15):9557-9561. doi: 10.1021/acs.inorgchem.9b01208. Epub 2019 Jul 17.

PMID:
31313577
3.

CO2 Reduction on an Iron-Porphyrin Center: A Computational Study.

Davethu PA, de Visser SP.

J Phys Chem A. 2019 Aug 1;123(30):6527-6535. doi: 10.1021/acs.jpca.9b05102. Epub 2019 Jul 17.

PMID:
31283234
4.

Flavonol biosynthesis by nonheme iron dioxygenases: A computational study into the structure and mechanism.

Zeb N, Rashid MH, Mubarak MQE, Ghafoor S, de Visser SP.

J Inorg Biochem. 2019 Sep;198:110728. doi: 10.1016/j.jinorgbio.2019.110728. Epub 2019 Jun 4.

PMID:
31203088
5.

Hydrogen by Deuterium Substitution in an Aldehyde Tunes the Regioselectivity by a Nonheme Manganese(III)-Peroxo Complex.

Barman P, Cantú Reinhard FG, Bagha UK, Kumar D, Sastri CV, de Visser SP.

Angew Chem Int Ed Engl. 2019 Jul 29;58(31):10639-10643. doi: 10.1002/anie.201905416. Epub 2019 Jun 13.

PMID:
31108009
6.

A Non-Heme Diiron Complex for (Electro)catalytic Reduction of Dioxygen: Tuning the Selectivity through Electron Delivery.

Wang L, Gennari M, Cantú Reinhard FG, Gutiérrez J, Morozan A, Philouze C, Demeshko S, Artero V, Meyer F, de Visser SP, Duboc C.

J Am Chem Soc. 2019 May 22;141(20):8244-8253. doi: 10.1021/jacs.9b02011. Epub 2019 May 7.

PMID:
31026148
7.

Equatorial ligand plane perturbations lead to a spin-state change in an iron(iii) porphyrin dimer.

Khan FST, Shah SJ, Bhowmik S, Reinhard FGC, Sainna MA, de Visser SP, Rath SP.

Dalton Trans. 2019 May 15;48(19):6353-6357. doi: 10.1039/c9dt01182j.

PMID:
30994665
8.

The Equatorial Ligand Effect on the Properties and Reactivity of Iron(V) Oxo Intermediates.

Pattanayak S, Cantú Reinhard FG, Rana A, Gupta SS, de Visser SP.

Chemistry. 2019 Jun 18;25(34):8092-8104. doi: 10.1002/chem.201900708. Epub 2019 May 20.

PMID:
30912866
9.

Regio- and Enantio-selective Chemo-enzymatic C-H-Lactonization of Decanoic Acid to (S)-δ-Decalactone.

Manning J, Tavanti M, Porter JL, Kress N, De Visser SP, Turner NJ, Flitsch SL.

Angew Chem Int Ed Engl. 2019 Apr 16;58(17):5668-5671. doi: 10.1002/anie.201901242. Epub 2019 Mar 26.

PMID:
30861252
10.

Interplay Between Steric and Electronic Effects: A Joint Spectroscopy and Computational Study of Nonheme Iron(IV)-Oxo Complexes.

Mukherjee G, Alili A, Barman P, Kumar D, Sastri CV, de Visser SP.

Chemistry. 2019 Apr 1;25(19):5086-5098. doi: 10.1002/chem.201806430. Epub 2019 Mar 12.

PMID:
30720909
11.

Mechanistic Studies of Fatty Acid Activation by CYP152 Peroxygenases Reveal Unexpected Desaturase Activity.

Pickl M, Kurakin S, Cantú Reinhard FG, Schmid P, Pöcheim A, Winkler CK, Kroutil W, de Visser SP, Faber K.

ACS Catal. 2019 Jan 4;9(1):565-577. doi: 10.1021/acscatal.8b03733. Epub 2018 Dec 6.

12.

How Does the Oxidation State of Palladium Surfaces Affect the Reactivity and Selectivity of Direct Synthesis of Hydrogen Peroxide from Hydrogen and Oxygen Gases? A Density Functional Study.

Wang F, Xia C, de Visser SP, Wang Y.

J Am Chem Soc. 2019 Jan 16;141(2):901-910. doi: 10.1021/jacs.8b10281. Epub 2019 Jan 7.

PMID:
30561995
13.

Selective Formation of an FeIV O or an FeIII OOH Intermediate From Iron(II) and H2 O2 : Controlled Heterolytic versus Homolytic Oxygen-Oxygen Bond Cleavage by the Second Coordination Sphere.

Cheaib K, Mubarak MQE, Sénéchal-David K, Herrero C, Guillot R, Clémancey M, Latour JM, de Visser SP, Mahy JP, Banse F, Avenier F.

Angew Chem Int Ed Engl. 2019 Jan 14;58(3):854-858. doi: 10.1002/anie.201812724. Epub 2018 Dec 17.

PMID:
30485630
14.

Does Substrate Positioning Affect the Selectivity and Reactivity in the Hectochlorin Biosynthesis Halogenase?

Timmins A, Fowler NJ, Warwicker J, Straganz GD, de Visser SP.

Front Chem. 2018 Oct 30;6:513. doi: 10.3389/fchem.2018.00513. eCollection 2018.

15.

Catalytic Mechanism of Nogalamycin Monoxygenase: How Does Nature Synthesize Antibiotics without a Metal Cofactor?

Cantú Reinhard FG, DuBois JL, de Visser SP.

J Phys Chem B. 2018 Dec 6;122(48):10841-10854. doi: 10.1021/acs.jpcb.8b09648. Epub 2018 Nov 19.

PMID:
30388008
16.

Editorial: Quantum Mechanical/Molecular Mechanical Approaches for the Investigation of Chemical Systems - Recent Developments and Advanced Applications.

Hofer TS, de Visser SP.

Front Chem. 2018 Sep 13;6:357. doi: 10.3389/fchem.2018.00357. eCollection 2018. No abstract available.

17.

Dramatic rate-enhancement of oxygen atom transfer by an iron(iv)-oxo species by equatorial ligand field perturbations.

Mukherjee G, Lee CWZ, Nag SS, Alili A, Cantú Reinhard FG, Kumar D, Sastri CV, de Visser SP.

Dalton Trans. 2018 Oct 30;47(42):14945-14957. doi: 10.1039/c8dt02142b.

PMID:
30259028
18.

Quantum Mechanics/Molecular Mechanics Studies on the Relative Reactivities of Compound I and II in Cytochrome P450 Enzymes.

Postils V, Saint-André M, Timmins A, Li XX, Wang Y, Luis JM, Solà M, de Visser SP.

Int J Mol Sci. 2018 Jul 6;19(7). pii: E1974. doi: 10.3390/ijms19071974.

19.

Mechanistic Insight on the Activity and Substrate Selectivity of Nonheme Iron Dioxygenases.

de Visser SP.

Chem Rec. 2018 Oct;18(10):1501-1516. doi: 10.1002/tcr.201800033. Epub 2018 Jun 7. Review.

PMID:
29878456
20.

Solvent- and Halide-Induced (Inter)conversion between Iron(II)-Disulfide and Iron(III)-Thiolate Complexes.

Wang L, Cantú Reinhard FG, Philouze C, Demeshko S, de Visser SP, Meyer F, Gennari M, Duboc C.

Chemistry. 2018 Aug 14;24(46):11973-11982. doi: 10.1002/chem.201801377. Epub 2018 Jun 29.

PMID:
29869814

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