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Quantitative vibrational dynamics of iron in nitrosyl porphyrins.

Quantitative vibrational dynamics of iron in nitrosyl porphyrins.

http://www.wikidata.org/entity/Q30498447

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Nuclear inelastic scattering and Mössbauer spectroscopy as local probes for ligand binding modes and electronic properties in proteins: vibrational behavior of a ferriheme center inside a β-barrel protein.Spectroscopic identification of reactive porphyrin motions Dynamics of the [4Fe-4S] cluster in Pyrococcus furiosus D14C ferredoxin via nuclear resonance vibrational and resonance Raman spectroscopies, force field simulations, and density functional theory calculations.Electronic structure and dynamics of nitrosyl porphyrins Characterization of the Fe site in iron-sulfur cluster-free hydrogenase (Hmd) and of a model compound via nuclear resonance vibrational spectroscopy (NRVS).Quantitative vibrational dynamics of iron in carbonyl porphyrins Differential sensing of protein influences by NO and CO vibrations in heme adducts.Explorations in metalloporphyrin stereochemistry, physical properties and beyond.Nuclear resonance vibrational spectroscopy applied to [Fe(OEP)(NO)]: the vibrational assignments of five-coordinate ferrous heme-nitrosyls and implications for electronic structure.Elucidation of the Fe(IV)=O intermediate in the catalytic cycle of the halogenase SyrB2.Oriented single-crystal nuclear resonance vibrational spectroscopy of [Fe(TPP)(MI)(NO)]: quantitative assessment of the trans effect of NO.Probing vibrational anisotropy with nuclear resonance vibrational spectroscopy.Structural characterization of CO-inhibited Mo-nitrogenase by combined application of nuclear resonance vibrational spectroscopy, extended X-ray absorption fine structure, and density functional theory: new insights into the effects of CO binding an Fe-H/D stretching and bending modes in nuclear resonant vibrational, Raman and infrared spectroscopies: comparisons of density functional theory and experiment.Direct probe of iron vibrations elucidates NO activation of heme proteins Vibrational Dynamics of Biological Molecules: Multi-quantum Contributions Comprehensive Fe-ligand vibration identification in {FeNO}6 hemes.New perspectives on iron-ligand vibrations of oxyheme complexes.Nuclear resonance vibrational spectroscopy (NRVS) of rubredoxin and MoFe protein crystals Nuclear resonance vibrational spectra of five-coordinate imidazole-ligated iron(II) porphyrinates.Recent advances in biosynthetic modeling of nitric oxide reductases and insights gained from nuclear resonance vibrational and other spectroscopic studies.Vibrational probes and determinants of the S = 0 ⇌ S = 2 spin crossover in five-coordinate [Fe(TPP)(CN)]-.Predicting Nuclear Resonance Vibrational Spectra of [Fe(OEP)(NO)]Observation of the Fe-CN and Fe-CO vibrations in the active site of [NiFe] hydrogenase by nuclear resonance vibrational spectroscopy Effects of imidazole deprotonation on vibrational spectra of high-spin iron(II) porphyrinates.Nuclear resonance vibrational spectroscopy and electron paramagnetic resonance spectroscopy of 57Fe-enriched [FeFe] hydrogenase indicate stepwise assembly of the H-cluster Interplay of structure and vibrational dynamics in six-coordinate heme nitrosyls Mapping NO movements in crystalline [Fe(Porph)(NO)(1-MeIm)].A combined NRVS and DFT study of Fe(IV)=O model complexes: a diagnostic method for the elucidation of non-heme iron enzyme intermediates.Tetragonal to triclinic--a phase change for [Fe(TPP)(NO)].Quantitative vibrational dynamics of the metal site in a tin porphyrin: an IR, NRVS, and DFT study.Probing heme vibrational anisotropy: an imidazole orientation effect?Extended X-ray absorption fine structure and nuclear resonance vibrational spectroscopy reveal that NifB-co, a FeMo-co precursor, comprises a 6Fe core with an interstitial light atom.Anisotropic iron motion in nitrosyl iron porphyrinates: natural and synthetic hemes.Iron nitrosyl "natural" porphyrinates: does the porphyrin matter?Photolability of NO in designed metal nitrosyls with carboxamido-N donors: a theoretical attempt to unravel the mechanism.Five-coordinate Fe(III)NO and Fe(II)CO porphyrinates: where are the electrons and why does it matter?What Can Be Learned from Nuclear Resonance Vibrational Spectroscopy: Vibrational Dynamics and Hemes.

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Quantitative vibrational dynamics of iron in nitrosyl porphyrins.

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Quantitative vibrational dynamics of iron in nitrosyl porphyrins.

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Quantitative vibrational dynamics of iron in nitrosyl porphyrins.

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Quantitative vibrational dynamics of iron in nitrosyl porphyrins.

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Quantitative vibrational dynamics of iron in nitrosyl porphyrins.

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Journal of the American Chemical Society

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Quantitative vibrational dynamics of iron in nitrosyl porphyrins

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P2093

E Ercan Alp

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Graeme R A Wyllie

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J Timothy Sage

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Marek Z Zgierski

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Stephen M Durbin

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W Robert Scheidt

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Wolfgang Sturhahn

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P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional exchange-energy approximation with correct asymptotic behavior

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

Lack of a role for iron in the Lyme disease pathogen

Influence of the heme pocket conformation on the structure and vibrations of the Fe-CO bond in myoglobin: a QM/MM density functional study.

Spectral characterization of brain and macrophage nitric oxide synthases. Cytochrome P-450-like hemeproteins that contain a flavin semiquinone radical

Activation of soluble guanylate cyclase by carbon monoxide and nitric oxide: a mechanistic model.

What vibrations tell us about proteins.

Myoglobin-NO at low pH: free four-coordinated heme in the protein pocket.

Kinetics of nitric oxide dissociation from five- and six-coordinate nitrosyl hemes and heme proteins, including soluble guanylate cyclase.

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4211-4227

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10.1021/JA038526H

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15053610

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