Jump to main content
Jump to site search

Themed collection Biological oxidation reactions: mechanisms and design of new catalysts

24 items
Open Access Feature Article

The taming of oxygen: biocatalytic oxyfunctionalisations

The scope and limitations of oxygenases as catalysts for preparative organic synthesis is discussed.

Graphical abstract: The taming of oxygen: biocatalytic oxyfunctionalisations
Open Access Feature Article

Computational modelling of oxygenation processes in enzymes and biomimetic model complexes

With computational resources becoming more efficient and more powerful and at the same time cheaper, computational methods have become more and more popular for studies on biochemical and biomimetic systems.

Graphical abstract: Computational modelling of oxygenation processes in enzymes and biomimetic model complexes
Communication

Structural and redox requirements for the action of anti-diabetic vanadium compounds

The transformation of non-oxido VIV to oxido VIV species under physiological conditions is necessary for a vanadium compound to exhibit pharmacological anti-diabetic activity.

Graphical abstract: Structural and redox requirements for the action of anti-diabetic vanadium compounds
Communication

Ligand tuning of single-site manganese-based catalytic antioxidants with dual superoxide dismutase and catalase activity

A bio-inspired Mn(II) complex with a linear pentadentate ligand and an alternating NSNSN coordination displays excellent dual SOD/CAT-like antioxidant activity and good stability in aqueous environment.

Graphical abstract: Ligand tuning of single-site manganese-based catalytic antioxidants with dual superoxide dismutase and catalase activity
Communication

Analysis of the residual alignment of a paramagnetic multiheme cytochrome by NMR

Agreement between the molecular alignment tensor and the combined effect of four hemes in a cytochrome, revealed by residual dipolar couplings.

Graphical abstract: Analysis of the residual alignment of a paramagnetic multiheme cytochrome by NMR
Communication

Artificial heme-proteins: determination of axial ligand orientations through paramagnetic NMR shifts

An empirical equation, describing the relationship between paramagnetic shifts and axial ligand orientations has been applied to an artificial bis-histidine ferriheme-protein, in order to determine the geometry of the active site.

Graphical abstract: Artificial heme-proteins: determination of axial ligand orientations through paramagnetic NMR shifts
Communication

What does the Sr-substituted 2.1 Å resolution crystal structure of photosystem II reveal about the water oxidation mechanism?

The structure of the water oxidising complex in the Sr-substituted X-ray crystal structure of photosystem II and its differences relative to the Ca-containing system, have been rationalized by a density functional study.

Graphical abstract: What does the Sr-substituted 2.1 Å resolution crystal structure of photosystem II reveal about the water oxidation mechanism?
Open Access Communication

New catalytic model systems of tyrosinase: fine tuning of the reactivity with pyrazole-based N-donor ligands

Two models of tyrosinase containing bidentate ligands with pyrazole moieties are synthesized and characterized with respect to their catalytic activity.

Graphical abstract: New catalytic model systems of tyrosinase: fine tuning of the reactivity with pyrazole-based N-donor ligands
Communication

Spectroelectrochemistry of FeIII- and CoIII-mimochrome VI artificial enzymes immobilized on mesoporous ITO electrodes

UV-visible absorption spectroelectrochemistry elucidated the different redox behaviours of FeIII- and CoIII-mimochrome VI artificial enzymes, adsorbed on mesoporous conductive films of ITO.

Graphical abstract: Spectroelectrochemistry of FeIII- and CoIII-mimochrome VI artificial enzymes immobilized on mesoporous ITO electrodes
Open Access Communication

Evidence that steric factors modulate reactivity of tautomeric iron–oxo species in stereospecific alkane C–H hydroxylation

The steric bulk of tetradentate ligands dictates the relative reactivity patterns of high valent iron oxido/hydroxido tautomers.

Graphical abstract: Evidence that steric factors modulate reactivity of tautomeric iron–oxo species in stereospecific alkane C–H hydroxylation
Communication

Stabilisation of μ-peroxido-bridged Fe(III) intermediates with non-symmetric bidentate N-donor ligands

Peroxide-bridged binuclear iron(III)-complexes based on bidentate ligands were identified as stable intermediates in the disproportionation of H2O2 by tris-homoleptic iron(II)-complexes.

Graphical abstract: Stabilisation of μ-peroxido-bridged Fe(iii) intermediates with non-symmetric bidentate N-donor ligands
Communication

Orbital contributions to CO oxidation in Mo–Cu carbon monoxide dehydrogenase

Orbital analysis provides new insight into the Mo/Cu CODH mechanism with a calculated reaction barrier in excellent agreement with experiment.

Graphical abstract: Orbital contributions to CO oxidation in Mo–Cu carbon monoxide dehydrogenase
Communication

First- and second-sphere contributions to Fe(II) site activation by cosubstrate binding in non-heme Fe enzymes

Factors that lead to coordinative unsaturation in non-heme-Fe(II) enzymes include sterics, facial triad carboxylate H-bonding, and strong cosubstrate donor ligation.

Graphical abstract: First- and second-sphere contributions to Fe(ii) site activation by cosubstrate binding in non-heme Fe enzymes
Communication

H2O2 activation with biomimetic non-haem iron complexes and AcOH: connecting the g = 2.7 EPR signal with a visible chromophore

Mechanistic studies revealed a new S = 1/2 intermediate (λmax = 465 nm) in the reaction of electron-rich aminopyridine Fe(II) complexes with H2O2/HOAc.

Graphical abstract: H2O2 activation with biomimetic non-haem iron complexes and AcOH: connecting the g = 2.7 EPR signal with a visible chromophore
Communication

Catalytic oxidation of alkanes by iron bispidine complexes and dioxygen: oxygen activation versus autoxidation

Organic substrates (specifically cis-1,2-dimethylcyclohexane, DMCH) are oxidized by O2 in the presence of iron(II)–bispidine complexes.

Graphical abstract: Catalytic oxidation of alkanes by iron bispidine complexes and dioxygen: oxygen activation versus autoxidation
Communication

Hiking on the potential energy surface of a functional tyrosinase model – implications of singlet, broken-symmetry and triplet description

With regard to excitation by visible light, the low-lying triplet state appears to be an alternative for induction of biological hydroxylation activity.

Graphical abstract: Hiking on the potential energy surface of a functional tyrosinase model – implications of singlet, broken-symmetry and triplet description
Communication

Bromoperoxidase activity of amavadin dissected: a DFT investigation

Bromoperoxidase catalytic activity exerted by oxidated amavadin [V(HIDPA)2] (HIDPA = 2,2′-(hydroxyimino) dipropionate) in mono- and bis-protonated forms has been investigated by DFT.

Graphical abstract: Bromoperoxidase activity of amavadin dissected: a DFT investigation
Communication

Probing kojic acid binding to tyrosinase enzyme: insights from a model complex and QM/MM calculations

We present a structural model of tyrosinase inhibited by kojic acid. The binding mode on the enzyme is refined by QM/MM calculations.

Graphical abstract: Probing kojic acid binding to tyrosinase enzyme: insights from a model complex and QM/MM calculations
Communication

Shining light on integrity of a tetracobalt-polyoxometalate water oxidation catalyst by X-ray spectroscopy before and after catalysis

Survival test passed: the Co4-oxo core of a polyoxometalate facilitates water oxidation in aqueous solution and thus is of high interest in energy science. The molecule is indeed is a real catalyst surviving the reaction cycle without any detectable structural modification.

Graphical abstract: Shining light on integrity of a tetracobalt-polyoxometalate water oxidation catalyst by X-ray spectroscopy before and after catalysis
Communication

Access channel residues Ser315 and Asp137 in Mycobacterium tuberculosis catalase-peroxidase (KatG) control peroxidatic activation of the pro-drug isoniazid

Asp137 to Ser replacement in Mycobacterium tuberculosis KatG enlarges a substrate access channel greatly enhancing activation of the pro-drug isoniazid.

Graphical abstract: Access channel residues Ser315 and Asp137 in Mycobacterium tuberculosis catalase-peroxidase (KatG) control peroxidatic activation of the pro-drug isoniazid
Communication

Mechanistic insight into halide oxidation by non-heme iron complexes. Haloperoxidase versus halogenase activity

This work presents the first detailed study on mechanistic aspects of halide oxidation by non-heme iron complexes.

Graphical abstract: Mechanistic insight into halide oxidation by non-heme iron complexes. Haloperoxidase versus halogenase activity
Communication

Oxidation of water by a nonhaem diiron(IV) complex via proton-coupled electron transfer

A nonhaem (μ-oxo)diiron(IV) complex was found to oxidize water to a hydroxyl radical via PCET, instead of forming an O–O bond.

Graphical abstract: Oxidation of water by a nonhaem diiron(iv) complex via proton-coupled electron transfer
Communication

Catalytic and regiospecific extradiol cleavage of catechol by a biomimetic iron complex

Oxidative C–C bond cleavage of 3,5-di-tert-butylcatechol to 4,6-di-tert-butyl-2-pyrone takes place catalytically on biomimetic iron complexes of a urea-derived facial tridentate ligand.

Graphical abstract: Catalytic and regiospecific extradiol cleavage of catechol by a biomimetic iron complex
Communication

Light driven water oxidation by a single site cobalt salophen catalyst

A cobalt(II) salophen complex enables water oxidation in photoactivated sacrificial cycles under visible light.

Graphical abstract: Light driven water oxidation by a single site cobalt salophen catalyst
24 items

About this collection

This web theme, Guest Edited by Wesley R Browne (University of Groningen) and Ebbe Nordlander (Lund University), will showcase current achievements and future perspectives in this exciting field of research and is focused on highlighting the thriving field of bioinorganic and bioinspired oxidation chemistry. The collection is supported by the COST Action on Bioinorganic oxidation chemistry CM1003.

Spotlight

Advertisements