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DFT study of oxaloacetic acid condensation — The first step of the citric acid cycle [PDF]

open access: possibleJournal of Structural Chemistry, 2007
The mechanism of acylation of oxaloacetic acid (OA) with acetyl-CoA was studied at the DFT level using the basis functions 6-311G(d,p) and different numbers of diffuse functions. Four mechanisms are considered in this study. It is found that the most probable mechanism, in the approximation of isolated molecules, starts with the enol forms of ...
V. B. Delchev, G. T. Delcheva
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A theoretical study on ethylenediamine catalyzed decarboxylation of oxaloacetic acid

Computational and Theoretical Chemistry, 2013
Abstract The ethylenediamine-catalyzed decarboxylation mechanism of oxaloacetic acid is studied by Density Functional Theory (DFT) both in gas phase and in water solutions. The decarboxylation without any catalyst is also investigated in order to evaluate the functions of proton and ethylenediamine.
Ming-Zhi Song   +6 more
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Ethylenediamine Catalyzed Decarboxylation of Oxaloacetic Acid: A DFT Investigation

Advanced Materials Research, 2013
The decarboxylation mechanism of oxaloacetic acid aided with ethylenediamine or without any catalyst is investigated employing Density Functional Theory (DFT). DFT calculations for both the gas phase and in water solution indicate a stepwise mechanism for each of the steps of the reactions.
Shi Guo Zhang   +4 more
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Inhibition of Pig‐Heart Citrate Synthase by Carboxylic Acids Structurally Related to Oxaloacetate [PDF]

open access: possibleEuropean Journal of Biochemistry, 1979
1 The kinetics of inhibition of citrate synthase by a number of dicarboxylic and tricarboxylic acids have been examined. Inhibition parameters providing information about equilibrium constants for ligand-binding to free enzyme and to the binary enzyme · oxaloacetate complex were determined under Michaelis-Menten conditions.
Gösta Petterson, Carl-Johan Johansson
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Magnetic Catalysis of the Decarboxylation of Oxaloacetic Acid

Nature, 1955
KINETIC studies of the decarboxylation of phenylmalonic acid in aqueous solution in the presence of high concentrations of rare-earth ions show that diamagnetic ions have little effect on the rate of reaction, while the paramagnetic dysprosium ion leads to an acceleration in rate of the order of 10 per cent1,2.
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Amino-acid Composition and Partial Specific Volume of Citrate Oxaloacetate Lyase [PDF]

open access: possibleNature, 1965
STUDIES of the amino-acid composition of citrate oxaloacetate lyase (citrate lyase) from Aerobacter aerogenes were made using the pure enzyme prepared by methods previously described1,2. The amino-acid composition of the enzyme was determined using the technique of high-voltage electrophoresis to separate the amino-acids in a protein hydrolysate3 ...
L. J. Rogers, T. J. Bowen
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The aniline catalysed decarboxylation of oxaloacetic acid

Australian Journal of Chemistry, 1965
Aniline catalysis of the decarboxylation of oxaloacetic acid, HO2CCOCH2CO2H + CH3COCO2H + CO2, has been studied in water and ethanol as solvent at 25 . In aqueous solution a maximum occurs in the pH-rate profile at pH 3.9, indicating the participation of a single proton in the transition state. Experiments with the half ester HO2CCOCH2CO2Et, which does
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The vibrational spectra and structure of 4-methyl oxaloacetate (carbomethoxypyruvic acid)

Journal of Molecular Structure, 1986
Abstract The vibrational spectra of solid 4-methyl oxalocetate have been recorded. Infrared spectra were collected at ambient and liquid nitrogen temperatures; Raman spectra were collected at ambient temperature only. A tentative vibrational assignment of the solid is proposed based on a dimer structure composed of two enolic monomer units hydrogen ...
David W. Schiering, J. E. Katon
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Kinetic Mechanism and Structural Requirements of the Amine-Catalyzed Decarboxylation of Oxaloacetic Acid

The Journal of Organic Chemistry, 2008
The kinetic and chemical mechanism of amine-catalyzed decarboxylation of oxaloacetic acid at pH 8.0 has been reevaluated using a new and versatile assay. Amine-catalyzed decarboxylation of oxaloacetic acid proceeds via the formation of an imine intermediate, followed by decarboxylation of the intermediate and hydrolysis to yield pyruvate.
Nabil K Thalji   +2 more
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Effects of L-aspartate and oxaloacetic acid on click-evoked cochlear potentials

Hearing Research, 1986
The scala tympani of the guinea pig was perfused with artificial perilymph and experimental solutions using an electrical micropump. In test perfusions, 20 mM L-aspartate produced depression of APN1 by 49% and 25 mM L-aspartate decreased the amplitude of APN1 by 42%.
Yu-Wen Sun, Dan-Ping Ding, Yi-Xiong Zhou
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