CO, NO and O2 as vibrational probes of heme protein interactions
نویسندگان
چکیده
منابع مشابه
Binding and Docking Interactions of NO, CO and O2 in Heme Proteins as Probed by Density Functional Theory
Dynamics and reactivity in heme proteins include direct and indirect interactions of the ligands/substrates like CO, NO and O(2) with the environment. Direct electrostatic interactions result from amino acid side chains in the inner cavities and/or metal coordination in the active site, whereas indirect interactions result by ligands in the same coordination sphere. Interactions play a crucial ...
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The kinetics of the CO + NO and CO + O2 reactions have been studied over several different Pd/Al2O3 powder catalysts covering a wide range of average Pd particle sizes. The structure-insensitive nature of the CO + O2 reaction over Pd has been exploited to determine the relative dispersions in several Pd/Al2O3 powder catalysts by measuring the rate of that reaction and normalizing against surfac...
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Parametrization of a molecular-mechanics program to include terms specific for five- and six-coordinate transition metal complexes results in computer-simulated structures of heme complexes. The principal new feature peculiar to five and six coordination is a term that measures the effect of electron-pair repulsion modified by the ligand electronegativity and takes into account the different st...
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The first measurements of O2 broadening of NO lines is reported. For the NO fundamental vibration-rotation band, polynomial representations for this broadening at 299 K are given for Omega = 32 and Omega = (1/2) e and f transitions, respectively: gamma3/2(|m|) = 0.06463 - 0.00262|m| + 0.000147|m|2 - 0.00000327|m|3, gammaf1/2 (|m|) = 0.06515 - 0.00381|m| + 0.000271|m|2 - 0.00000665|m|3, and gamm...
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NO reduction by CO was investigated over a AuPd(1 0 0) model catalyst at near atmospheric pressures. The alloy catalyst exhibits higher CO2 formation rates below 550 K than does pure Pd, although the binding energy of NO on the alloy surface is substantially less, i.e., its dissociation tendency is much less, compared with pure Pd. This behavior is rationalized by the fact that the low CO/NO-bi...
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ژورنال
عنوان ژورنال: Coordination Chemistry Reviews
سال: 2013
ISSN: 0010-8545
DOI: 10.1016/j.ccr.2012.05.008