Trends in substrate hydroxylation reactions by heme and nonheme iron(IV)-oxo oxidants give correlations between intrinsic properties of the oxidant with barrier height.
about
Challenging Density Functional Theory Calculations with Hemes and PorphyrinsModeling 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.Differences and comparisons of the properties and reactivities of iron(III)-hydroperoxo complexes with saturated coordination sphereMechanism of S-oxygenation by a cysteine dioxygenase model complexMagnetic circular dichroism and computational study of mononuclear and dinuclear iron(IV) complexes.Alkyl Chain Growth on a Transition Metal Center: How Does Iron Compare to Ruthenium and Osmium?Axial and equatorial ligand effects on biomimetic cysteine dioxygenase model complexesDo Spin State and Spin Density Affect Hydrogen Atom Transfer Reactivity?Enhanced electron-transfer reactivity of nonheme manganese(IV)-oxo complexes by binding scandium ions.Cysteine protease inhibition by nitrile-based inhibitors: a computational study.Quantum mechanics/molecular mechanics study on the oxygen binding and substrate hydroxylation step in AlkB repair enzymesSelective functionalisation of saturated C-H bonds with metalloporphyrin catalysts.Hydrogen-abstraction reactivity patterns from A to Y: the valence bond way.Applications of density functional theory to iron-containing molecules of bioinorganic interest.Does compound I vary significantly between isoforms of cytochrome P450?Mono- and binuclear non-heme iron chemistry from a theoretical perspective.Redox potential and C-H bond cleaving properties of a nonheme Fe(IV)=O complex in aqueous solution.Singlet versus Triplet Reactivity in an Mn(V)-Oxo Species: Testing Theoretical Predictions Against Experimental Evidence.A new look at the role of thiolate ligation in cytochrome P450.Biomimetic Reactivity of Oxygen-Derived Manganese and Iron Porphyrinoid Complexes.Oxygen Atom Transfer Using an Iron(IV)-Oxo Embedded in a Tetracyclic N-Heterocyclic Carbene System: How Does the Reactivity Compare to Cytochrome P450 Compound I?From DNA to catalysis: a thymine-acetate ligated non-heme iron(III) catalyst for oxidative activation of aliphatic C-H bonds.Importance of cytochromes in cyclization reactions: quantum chemical study on a model reaction of proguanil to cycloguanil.ortho-Hydroxylation of aromatic acids by a non-heme Fe(V)=O species: how important is the ligand design?Metabolism of halogenated alkanes by cytochrome P450 enzymes. Aerobic oxidation versus anaerobic reduction.Does a higher metal oxidation state necessarily imply higher reactivity toward H-atom transfer? A computational study of C-H bond oxidation by high-valent iron-oxo and -nitrido complexes.Oxygen Activation and Radical Transformations in Heme Proteins and Metalloporphyrins.Reactivity Patterns of (Protonated) Compound II and Compound I of Cytochrome P450: Which is the Better Oxidant?A Systematic Account on Aromatic Hydroxylation by a Cytochrome P450 Model Compound I: A Low-Pressure Mass Spectrometry and Computational Study.Arene activation by a nonheme iron(III)-hydroperoxo complex: pathways leading to phenol and ketone products.Origin of the Regioselective Fatty-Acid Hydroxylation versus Decarboxylation by a Cytochrome P450 Peroxygenase: What Drives the Reaction to Biofuel Production?Structure and mechanism leading to formation of the cysteine sulfinate product complex of a biomimetic cysteine dioxygenase model.Hydroxylation mechanism of methane and its derivatives over designed methane monooxygenase model with peroxo dizinc core.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.Comparison of the reactivity of nonheme iron(IV)-oxo versus iron(IV)-imido complexes: which is the better oxidant?A comprehensive test set of epoxidation rate constants for iron(iv)-oxo porphyrin cation radical complexes.Site-selective formation of an iron(iv)-oxo species at the more electron-rich iron atom of heteroleptic μ-nitrido diiron phthalocyaninesElectronic structure analysis of multistate reactivity in transition metal catalyzed reactions: the case of C–H bond activation by non-heme iron(iv)–oxo coresHydrogen atom abstraction reactions independent of C–H bond dissociation energies of organic substrates in water: significance of oxidant–substrate adduct formationDoes Substrate Positioning Affect the Selectivity and Reactivity in the Hectochlorin Biosynthesis Halogenase?
P2860
Q26748925-636CBC6A-08A0-4880-BE42-B2A810E233BDQ34990257-F93D53E7-FDED-49FC-8879-C675DAB532F4Q35046056-5AC9D911-04C2-4AE2-9B96-DFAFEC0BC479Q35701702-3FAE49EA-5B12-47C0-9DFD-EBFFD0D0E976Q36093562-66B0BDB8-1831-4D24-B02F-178D3C8D3E6EQ36247283-EE1A9132-AEBA-4F3F-A9A6-CAFD1943F351Q36266480-1F5173A2-6436-4E3E-BF38-085CB9294316Q37451262-9F67FD07-FDE8-4D69-9AB1-CFBD6B494F68Q37603304-676A4E7C-31B5-4A21-8C56-1C833D800AD0Q37696070-6DE24FC1-0545-4D54-AE8B-3211CA60B26AQ37715556-F836A0B7-119C-4DF9-AE13-50FFD70C574DQ37851029-5164E69D-EA56-42AC-B897-5B9286FD7AFAQ38008280-40F063B2-60D6-4175-96D4-42BB85BECE5FQ38210222-71CA7FE0-3366-46F9-8CAC-4BFE5A9BFFA7Q38562795-4827E78B-00F3-429C-9458-49A1A796DE81Q38845297-E6E3115D-B5AA-4081-9FBC-C5CA4F531426Q41156601-677031CB-10FA-41A7-B226-FCE2414054F7Q41430544-5E7C9E9F-EDF1-4321-B6C0-AF2C8DA1FEE2Q45962019-79F786BC-BBB9-4296-BEE6-F140B87CF4EFQ46291020-8B4C8F82-3D08-4CAE-9789-9C04EE439F99Q46437122-DF949C5E-BD55-4547-8DD9-3919B7051B86Q46621809-8F7BAF62-0298-4A76-AB87-B47BBF34F02FQ46842312-739B53CF-320E-4A8D-AB65-FFDC65B1CB75Q46895967-AD44C518-454A-4B18-98D0-D2C1F06FD919Q46935577-F12360F0-3FA7-4A8E-8A0A-F88A06D02CF3Q46936933-A6D05EA6-8550-4F33-BF7B-919737FB9BB6Q47245449-A39B980D-426A-4058-ACF7-9016A9E9127AQ48044973-41643D47-E4E3-4F77-8423-7E76A2238AF7Q48054054-428C0B60-58E7-4EFF-A749-EAB2E3062FA3Q51363252-FDE1589F-904D-4B30-A24C-B421E77C3B86Q51491253-5BECB142-DC40-4DAE-9152-AE603C698C51Q52868282-7C1D98F6-4180-48BD-9BED-298709E50C7EQ53174610-7579E563-2603-4DE1-BD50-61A2B7A6B47AQ53231423-EE235B42-F061-4740-8009-DF91130431AFQ54614687-32DF097C-1F19-4CB8-8B56-C29AAF9E6046Q55208931-F84B2F65-527B-4819-9E15-139695AF4AACQ57724172-8EF275CD-DBFD-4511-8484-68C0A4C141FDQ58009640-446769AB-72B0-4256-B035-3576F417CC6AQ58227369-EADDA9C0-9DA7-4894-84DD-6EE7CAABAA71Q58693871-1FBD71BD-86CE-49DD-80AE-A11AD632C769
P2860
Trends in substrate hydroxylation reactions by heme and nonheme iron(IV)-oxo oxidants give correlations between intrinsic properties of the oxidant with barrier height.
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年学术文章
@wuu
2010年学术文章
@zh
2010年学术文章
@zh-cn
2010年学术文章
@zh-hans
2010年学术文章
@zh-my
2010年学术文章
@zh-sg
2010年學術文章
@yue
2010年學術文章
@zh-hant
name
Trends in substrate hydroxylation reactions by heme and nonheme iron
@nl
Trends in substrate hydroxylat ...... e oxidant with barrier height.
@en
type
label
Trends in substrate hydroxylation reactions by heme and nonheme iron
@nl
Trends in substrate hydroxylat ...... e oxidant with barrier height.
@en
prefLabel
Trends in substrate hydroxylation reactions by heme and nonheme iron
@nl
Trends in substrate hydroxylat ...... e oxidant with barrier height.
@en
P356
P1476
Trends in substrate hydroxylat ...... he oxidant with barrier height
@en
P2093
Sam P de Visser
P304
P356
10.1021/JA908340J
P407
P577
2010-01-01T00:00:00Z