A hydrogen peroxide assay based on the peroxidase-oxidase reaction. Numerical simulation of the reaction mechanism

The Fe/Beta catalysts were prepared by conventional incipient wetness impregnation. The catalysis oxidation degradation of methyl orange was carried out in catalyst and H2O2 process. The results indicated that the catalyst and hydrogen peroxide were more benefit to degradation of methyl orange. The reaction condition was optimized. The optimum reaction process was as follow: iron amount of catalyst was 1.25%, the catalyst dosage and H2O2 concentration was 1 mg/L and 1.5 mg/L, and reaction temperature was 70 °C. The apparent activation energy (65 KJ/mol) was obtained according to the arrhenius formula, which was benefit to study the reaction mechanism.

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Reaction Mechanism of Aqueous Benzene with Hydrogen Peroxide by Transient Absorbance Spectra

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb20040911 ◽

2004 ◽

Vol 20 (09) ◽

pp. 1112-1117 ◽

Cited By ~ 4

Author(s):

Zhu Cheng-Zhu ◽

◽

Zhang Ren-Xi ◽

Zheng Guang-Ming ◽

Ouyang Bin ◽

...

Keyword(s):

Hydrogen Peroxide ◽

Reaction Mechanism ◽

Transient Absorbance ◽

Absorbance Spectra

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Reaction mechanism of 1,2-hydrogen migration of hydrogen peroxide

Canadian Journal of Chemistry ◽

10.1139/v90-102 ◽

1990 ◽

Vol 68 (5) ◽

pp. 666-673 ◽

Cited By ~ 6

Author(s):

Enric Bosch ◽

José M. Lluch ◽

Juan Bertrán

Keyword(s):

Hydrogen Peroxide ◽

Reaction Mechanism ◽

Water Molecule ◽

Energy Barrier ◽

Electron Distribution ◽

Reaction Path ◽

Bifunctional Catalyst ◽

Reaction Coordinate ◽

Intrinsic Reaction Coordinate ◽

Hydrogen Migration

The 1,2-hydrogen migration of hydrogen peroxide has been investigated by abinitio methods and the Intrinsic Reaction Coordinate (IRC) has been constructed. An analysis of the evolution of the electron distribution along the reaction path has shown that the shifting hydrogen behaves as a proton. This transferring proton polarizes the O—O bond of the hydrogen peroxide that becomes broken at the transition state. If a water molecule is allowed to participate in the reaction, the energy barrier is noticeably lowered, this water molecule acting as a bifunctional catalyst. Keywords: 1,2-hydrogen migration, hydrogen peroxide, proton transfer, bifunctional catalyst, Intrinsic Reaction Coordinate.

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Oxidative cleavage of cycloalkenes using hydrogen peroxide and a tungsten-based catalyst: towards a complete mechanistic investigation

New Journal of Chemistry ◽

10.1039/d0nj03592k ◽

2021 ◽

Vol 45 (1) ◽

pp. 235-242

Author(s):

Tony Cousin ◽

Gregory Chatel ◽

Bruno Andrioletti ◽

Micheline Draye

Keyword(s):

Hydrogen Peroxide ◽

Reaction Mechanism ◽

Oxidative Cleavage ◽

Mechanistic Investigation ◽

By Products

The identification of intermediates and by-products issuing from the oxidative cleavage of cycloolefins allows proposing of a reaction mechanism.

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Nitroalkanes as Reductive Substrates for Flavoprotein Oxidases

Zeitschrift für Naturforschung B ◽

10.1515/znb-1972-0914 ◽

1972 ◽

Vol 27 (9) ◽

pp. 1052-1053 ◽

Cited By ~ 16

Author(s):

David J. T. Porter ◽

Judith G. Voet ◽

Harold J. Bright

Keyword(s):

Hydrogen Peroxide ◽

Amino Acid ◽

Glucose Oxidase ◽

Ph Dependence ◽

Kinetic Mechanism ◽

Acid Oxidase ◽

Amino Acid Oxidase ◽

Kinetics Of ◽

Oxidase Reaction ◽

Detailed Kinetic Mechanism

Nitroalkanes have been found to be general reductive substrates for D-amino acid oxidase, glucose oxidase and L-amino acid oxidase. These enzymes show different specificities for the structure of the nitroalkane substrate.The stoichiometry of the D-amino acid oxidase reaction is straightforward, consisting of the production of one mole each of aldehyde, nitrite and hydrogen peroxide for each mole of nitroalkane and oxygen consumed. The stoichiometry of the glucose oxidase reaction is more complex in that less than one mole of hydrogen peroxide and nitrite is produced and nitrate and traces of 1-dinitroalkane are formed.The kinetics of nitroalkane oxidation show that the nitroalkane anion is much more reactive in reducing the flavin than is the neutral substrate. The pH dependence of flavin reduction strongly suggests that proton abstraction is a necessary event in catalysis. A detailed kinetic mechanism is presented for the oxidation of nitroethane by glucose.It has been possible to trap a form of modified flavin in the reaction of D-amino acid oxidase with nitromethane from which oxidized FAD can be regenerated in aqueous solution in the presence of oxygen.

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Reaction Mechanism in Drug Analysis. III. : Reaction of 5-Allylbarbituric Acids with Hydrogen Peroxide and Hydrochloric Acid

YAKUGAKU ZASSHI ◽

10.1248/yakushi1947.90.5_532 ◽

1970 ◽

Vol 90 (5) ◽

pp. 532-536 ◽

Cited By ~ 1

Author(s):

KAZUO KIGASAWA ◽

HIROAKI SHIMIZU ◽

TAKEHIKO IWATA ◽

HISAYOSHI TANAKA ◽

HIDEHISA NAKAGURO ◽

...

Keyword(s):

Hydrogen Peroxide ◽

Reaction Mechanism ◽

Hydrochloric Acid ◽

Drug Analysis

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Assumed Multivariate Beta-PDF Modeling for Turbulent Nonpremixed Flames

ASME/JSME 2007 Thermal Engineering Heat Transfer Summer Conference, Volume 1 ◽

10.1115/ht2007-32646 ◽

2007 ◽

Author(s):

Susumu Noda ◽

Kunihiko Yamamuro ◽

Yuzuru Nada ◽

Masato Fujisaka

Keyword(s):

Numerical Simulation ◽

Reaction Mechanism ◽

Moment Method ◽

Mass Fraction ◽

Reaction Rate ◽

Single Step ◽

Present Approach ◽

Nonpremixed Flames ◽

Good Prediction ◽

Irreversible Reaction

Numerical simulation based on a moment method is conducted to investigate the feasibility of an assumed probability density function (PDF) approach in the configuration of a turbulent jet nonpremixed flame. In this study, a multivariate β-PDF is employed to account for turbulence-chemistry interaction. The multivariate β-PDF approach has an advantage that only one additional transport equation of sum of composition variances is solved to determine the shape of species PDF to transport equations of mean compositions. The numerical simulation is carried out for H3 flame. Reaction mechanism is a single-step irreversible reaction including H2, O2 and H2O species. The results are compared with those from measurements and a combined PDF/moment method that detailed reaction mechanism is applied. Velocity distributions obtained by the multivariate β-PDF approach show good agreement with measurements and combined PDF/moment results, which indicates that the present approach can predict the flow pattern of nonpremixed flames. The present approach also provides good predictions in terms of mean temperature and mass fraction. PDFs of mass fraction obtained by the present approach are similar to those by the combined PDF/moment method. On the other hand, the variance of temperature is underpredicted, which is attributed to an approximation of temperature variance. In order to achieve a good prediction of the reaction rate, a PDF approximation of enthalpy is proposed for the evaluation of mean reaction rate.

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Mechanism of Wall Turbulence Modulation With Premixed Hydrogen Combustion

Volume 2: Computational Fluid Dynamics ◽

10.1115/ajkfluids2019-5075 ◽

2019 ◽

Author(s):

Takashi Ohta ◽

Yuta Onishi ◽

Yasuyuki Sakai

Keyword(s):

Numerical Simulation ◽

Thermal Expansion ◽

Reaction Mechanism ◽

Wall Turbulence ◽

Streamwise Vortices ◽

Turbulence Modulation ◽

Turbulence Structures ◽

Chemical Reaction Mechanism ◽

Vorticity Transport ◽

Detailed Chemical

Abstract In order to clarify the mechanism of modulation of turbulence structures such as quasi-streamwise vortices affected by a flame propagating toward a wall, we perform a direct numerical simulation of wall turbulence with premixed hydrogen-air combustion using a detailed chemical reaction mechanism. As a result, existing quasi-streamwise vortices in turbulence near the wall are found to be suppressed, disappearing as the flame approaches. Hence, the turbulent flow tends to become laminar. Moreover, according to the analysis of the vorticity transport equation, it is found that the suppression is due to thermal expansion of the flame rather than an increase in viscosity. From the viewpoint of chemical reactions, it is revealed that thermal expansion inside turbulence vortices is mainly caused by reactions involving H2 and H2O2.

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