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Showing 1 to 20 of 46 for “"metalloproteins"”.
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Diffraction spectroscopy of metalloproteins
X-ray absorption is not only element specific, but atom specific: two atoms of the same element in different states or in different neighbourhoods will have slightly different absorption characteristics. These energy dependent atomic form factors are carried over to the diffraction intensities. The …
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Rational design of synthetic metalloproteins
This dissertation work focuses on the design of metal-binding a-helical coiled coils. They provide a simple yet unique model to study both metal-protein and protein-protein interactions and serve as means to gain knowledge that is required for preparation of synthetic materials with …
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Accounting for Strong Electronic Correlation in Metalloproteins
Metalloproteins play a crucial role in many key biological processes, from oxygen transport to photosynthesis. In the case of photosynthesis, the oxygen evolving complex (OEC) --- a CaMn\textsubscript{4}O\textsubscript{5} cluster --- catalyses water-to-oxygen-gas conversion. From a computational …
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Expression and characterisation of metalloproteins from mycobacterium tuberculosis
The resurgence of tuberculosis cases world-wide over the last two decades has led to one third of the population being infected and an ever increasing number of deaths (World Health Organisation, 2006). Little is known about the pathogenicity of the infectious agent, Tubercule bacillus, and …
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Design & engineering of conformationally switchable artificial metalloproteins (swArMs)
Submission published under a 24 month embargo labeled 'U of I Access', the embargo will last until 2026-08-01
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Engineered metalloproteins as contrast sensors for molecular fMRI
… encodable sensors based on engineered metalloproteins whose effects on MRI contrast are regulated by specific biochemical interactions. In this work, we present two technological advancements toward realizing fMRI contrast sensors for molecular neuroimaging. First, a genetically …
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COMPUTER APPLICATIONS IN QUANTITATIVE EPR SPECTROSCOPY OF METALLOPROTEINS (FERRITIN, APOFERRITIN, IRON)
<p>This dissertation examines the use of computers in quantitative EPR spectroscopy. The computers used ranged from hand held calculators to large main frame systems. Applications discussed are protein assay calculations, an EPR minicomputer interface and software system and the modification of an …
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Thermodynamic Investigations of Metalloproteins: Metal as Probe and Protein as Probe
<p>In this dissertation several metalloproteins, both metal transport proteins and the classic metalloprotein hemoglobin, are investigated using a variety of biophysical and electrochemical techniques. In each case, thermodynamic measurements provide insight into the role and mode of action of the …
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NMR, Crystallographic and Quantum Chemical Studies of Metalloproteins and Bisphosphonate Inhibitors
In this work, we describe the development of computational models to predict nuclear magnetic resonance (NMR) and Mossbauer spectroscopic properties in heme proteins and model systems by using quantum chemical techniques. This work includes density functional theory investigations of the 1H, 13C, …
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Model complexes for active sites of diiron metalloproteins, dioxygen reactivity and water effects
… how the diiron(III) structures in different metalloproteins, namely, the [mu]-oxo cores of RNR-R2 and the [mu]-dihydroxo unit in MMOH, can be replicated by subtle changes in ligand composition ...
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Modeling the active sites of diiron and dicopper metalloproteins with napthyridine-, phthalazine-, and diethynylbenzene-based ligands
Chapter 1. Bio-Inspired Reactions of Diiron Centers with Dioxygen A variety of biological systems employ carboxylate-bridged diiron centers to achieve substrate oxidation using dioxygen, and numerous small molecule model compounds have been synthesized in order to mimic this chemistry in the …
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Design and Synthesis of Redox or Catalytically Active Artificial Metalloproteins Containing Non-Native Inorganic and Organometallic Complexes
… myoglobin (Mb) using cysteine residues. The new metalloproteins were characterized by UV-Vis, CD, electrospray mass spectroscopy and cyclic voltammetry. Together with chemical reactivity studies, these results demonstrated that the encapsulation of metal complexes by CcP and Mb have led to singly …
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Modeling the active sites of non-heme diiron metalloproteins with sterically hindered carboxylates and syn N-Donor ligands
Chapter 1. Different Synthetic Approaches to Modeling the Active Sites of Carboxylate-Bridged Non-Heme Diiron Enzymes Carboxylate-bridged non-heme diiron enzymes activate dioxygen to perform a variety of biological functions. Synthetic model compounds have been prepared to gain insight into the …
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Using Unnatural Amino Acids and Nonnative Cofactors for Metalloprotein Design and Engineering
… entering the pocket will help design better metalloproteins.
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Rational design of functional heme copper oxidases in myoglobin
… ions, considering the number of functions that metalloproteins perform. Also, nature uses a surprisingly small number of protein domains and folds compared the number of possible folds. In metalloproteins, both the metal and protein environment surrounding it play an important role in …
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Bioinorganic hydrocarbon oxidation : mechanistic and kinetic studies of the soluble methane monooxygenase from Methylococcus capsulates (bath)
… 1. Principles of Small Molecule Activation by Metalloproteins as Exemplified by the Soluble Methane Monooxygenase -- Chapter 2. Small Molecule Binding to the Mixed-Valent Diiron Center of Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath) as Revealed by ENDOR Spectroscopy -- …
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Characterizing the Roles of Sufb and Sufa in Fe-S Cluster Assembly and Trafficking in Suf Pathway
… clusters are essential cofactors in various metalloproteins and are best known for their roles in electron transport as well as redox and non-redox catalysis. Three Fe-S cluster assembly systems: Nif, Isc, and Suf have been identified. The sufABCDSE operon is activated in E. coli to build …
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Theoretical and Experimental Investigations of Chemical Shielding in Amino Acids, Proteins and Model Compounds
… insight into small ligand binding in respiratory metalloproteins. The results of these investigations lend considerable support to the continued use of theoretical methods in NMR structural studies.
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Insight into the Local Solvent Environment of Biologically Relevant Iron-nitroysl Systems through Two-Dimensional Infrared Spectroscopy
… the local environment of the more complicated metalloproteins. Rigorous line shape analysis is performed by using nonlinear response theory to simulate 2D IR spectra which are then fit to experimental data in an iterative process to extract frequency-frequency correlation functions (FFCFs). The …
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