X-Ray and Chemical Studies of Metalloporphyrins
金属卟啉的 X 射线和化学研究
基本信息
- 批准号:7944094
- 负责人:
- 金额:$ 30万
- 依托单位:
- 依托单位国家:美国
- 项目类别:
- 财政年份:1987
- 资助国家:美国
- 起止时间:1987-05-01 至 2012-08-31
- 项目状态:已结题
- 来源:
- 关键词:AnisotropyBehaviorBindingBiological ProcessChemicalsChemistryComplexCouplingDataDetectionDevelopmentDioxygenDiseaseDissociationElectron Spin Resonance SpectroscopyElectron TransportElectronicsEnsureEnvironmentErectile dysfunctionFunctional disorderGasesGastrointestinal DiseasesGoalsHeart DiseasesHemeHemeproteinsHemoglobinHydrogenHydrogen BondingHypertensionImidazoleInvestigationIronIron CompoundsKnowledgeLeadLigandsMagnetismMapsMeasurementMeasuresMetalloporphyrinsMethodsMolecularMolecular StructureMolecular WeightMossbauer SpectroscopyNatureNerve DegenerationNitric OxideNuclearOrganic Iron CompoundsOxygenPorphyrinsPowder dose formPreparationProcessPropertyProsthesisProteinsResearchRoentgen RaysSamplingSignal TransductionSpecimenSpectrum AnalysisStrokeStructureSystemTechniquesTemperatureTetrapyrrolesWorkX ray diffraction analysisX-Ray Diffractionbasedrug metabolismelectronic structureimprovedinsightinterestnoveloxidationphysical propertypressureresearch studysynchrotron radiationvibration
项目摘要
The main focus of this proposal is to develop basic knowledge that relates the structural properties of
metalloporphyrins to their physical properties, especially those of iron derivatives, and particularly as
these pertain to an understanding of hemoprotein-based biological processes. The approach utilizes the
determination of molecular structure, typically by X-ray diffraction, and relating detailed structural
features to other measured properties, with a sufficient number of examples to ensure generality of the
conclusions. Physical properties that were emphasized in previous work included unusual electronic
structures, magnetic properties including spin state and spin-spin coupling and spectral properties
including electron paramagnetic resonance (EPR) and M¿ssbauer spectroscopy that provided fundamental
information that are useful for both low-molecular weight species and hemoproteins. We are now
extending this approach to Nuclear Resonance Vibrational Spectroscopy (NRVS), a synchrotron
radiation-based method used to measure the vibrational spectrum of iron compounds that are at the center
of many biomolecules. NRVS is both more selective and more comprehensive than Raman or IR
spectroscopy, allowing for the detection of modes not visible by other methods. Most compounds to be
studied are related to hemoprotein derivatives that carry out a wide range of biological functions
including oxygen utilization, storage and transport, gas-based signaling, electron transport, drug
metabolism, and other enzymatic processes. We are using and developing NRVS to understand the
detailed nature of the vibrational modes of heme complexes. These vibrational measurements can
provide unique information because oriented single crystal measurements can be referenced to detailed
molecular structure features. In our initial work, we emphasized the identification of the out-of-plane
iron--ligand vibrations that are vital to an understanding of both the nature of the Fe-imidazole bond in
hemes and the association/dissociation of small gaseous ligands to the iron center. Iron porphyrinates to
be studied include a number of six-coordinate derivatives, [Fe(por)(XO)(Im)] (XO = O2, CO, NO), in
order to examine changes in the Fe--Im vibrations as the opposite ligand is changed, important for
understanding issues in hemoglobin oxygen-binding cooperativity and gas-based signaling. Dysfunction
of such signaling contributes to many disease states from neurodegeneration, stroke, hypertension, and
gastrointestinal diseases to erectile dysfunction and heart disease. We now propose to extend our
experiments to oriented single-crystal measurements in a novel, complex fashion. In this experiment, we
will examine the anisotropy of the in-plane vibrational spectrum as a function of molecular features; both
theoretical predictions and experiment deviations suggest that novel information that pertains to
understanding bonding features and calculations can be obtained. Temperature-dependent NRVS
measurements will be made on selected systems to further explore the dynamical issues of these
molecules including both nitric oxide and dioxygen systems. The effect of pressure will be investigated
through the measurement of the NRVS spectrum at pressures up to about 8 GPa. Whenever possible,
these measurements will be made on an oriented crystal specimen.
本建议的主要重点是发展与结构特性相关的基本知识
项目成果
期刊论文数量(110)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
Nuclear resonance vibrational spectra of five-coordinate imidazole-ligated iron(II) porphyrinates.
- DOI:10.1021/ic201580v
- 发表时间:2012-02-06
- 期刊:
- 影响因子:4.6
- 作者:Hu C;Barabanschikov A;Ellison MK;Zhao J;Alp EE;Sturhahn W;Zgierski MZ;Sage JT;Scheidt WR
- 通讯作者:Scheidt WR
Direct probe of iron vibrations elucidates NO activation of heme proteins.
- DOI:10.1021/ja051052x
- 发表时间:2005-08
- 期刊:
- 影响因子:15
- 作者:Weiqiao Zeng;Nathan J. Silvernail;D. Wharton;G. Georgiev;B. Leu;W. Scheidt;Jiyong Zhao;W. Sturhahn;E. Alp;J. Sage
- 通讯作者:Weiqiao Zeng;Nathan J. Silvernail;D. Wharton;G. Georgiev;B. Leu;W. Scheidt;Jiyong Zhao;W. Sturhahn;E. Alp;J. Sage
Hydrosulfide (HS-) coordination in iron porphyrinates.
- DOI:10.1021/ic901853p
- 发表时间:2010-02-01
- 期刊:
- 影响因子:4.6
- 作者:Pavlik, Jeffrey W.;Noll, Bruce C.;Oliver, Allen G.;Schulz, Charles E.;Scheidt, W. Robert
- 通讯作者:Scheidt, W. Robert
Hydrogen bonding influence of 1,10-phenanthroline on five-coordinate high-spin imidazole-ligated iron(II) porphyrinates.
- DOI:10.1021/ic8009496
- 发表时间:2008-10-06
- 期刊:
- 影响因子:4.6
- 作者:Hu, Chuanjiang;Noll, Bruce C.;Schulz, Charles E.;Scheidt, W. Robert
- 通讯作者:Scheidt, W. Robert
Effect of the Ruffled Porphyrin Ring on Electronic Structures: Structure and Characterization of [Fe(TalkylP)(OClO3)] and [Fe(TPrP)(THF)2]ClO4 (alkyl = Ethyl, Et and n-Propyl, Pr).
褶皱卟啉环对电子结构的影响:[Fe(T烷基P)(OClO3)]和[Fe(TPrP)(THF)2]ClO4(烷基=乙基、Et和正丙基、Pr)的结构和表征。
- DOI:10.1142/s1088424612501362
- 发表时间:2013
- 期刊:
- 影响因子:1.5
- 作者:Li,Ming;Oliver,AllenG;Neal,TeresaJ;Schulz,CharlesE;Scheidt,WRobert
- 通讯作者:Scheidt,WRobert
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W. ROBERT SCHEIDT其他文献
W. ROBERT SCHEIDT的其他文献
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