scholarly journals Increased Sterility by Fenton Reaction and Increased OH Radicals upon UV Irradiation-Comparison of Sterility between Fenton Reaction and UV Irradiation to Hydrogen Peroxide

2015 ◽  
Vol 04 (01) ◽  
Author(s):  
Hideharu Shintani
Keyword(s):  
Hydrogen Peroxide ◽  
Uv Irradiation ◽  
Fenton Reaction ◽  
Oh Radicals

A Systematic DFT Study of Two Elementary Steps Involving Hydrogen Peroxide and the Hydroxyl Radical in the Fenton Reaction

2018 ◽  
Author(s):  
Danilo Carmona ◽  
David Contreras ◽  
Oscar A. Douglas-Gallardo ◽  
Stefan Vogt-Geisse ◽  
Pablo Jaque ◽  
...  
Keyword(s):  
Hydrogen Peroxide ◽  
Hydroxyl Radical ◽  
Ab Initio ◽  
Fenton Reaction ◽  
Basis Set ◽  
Basis Sets ◽  
Dft Methods ◽  
Elementary Steps ◽  
Oxygen Oxygen ◽  
Complete Basis Set

The Fenton reaction plays a central role in many chemical and biological processes and has various applications as e.g. water remediation. The reaction consists of the iron-catalyzed homolytic cleavage of the oxygen-oxygen bond in the hydrogen peroxide molecule and the reduction of the hydroxyl radical. Here, we study these two elementary steps with high-level ab-initio calculations at the complete basis set limit and address the performance of different DFT methods following a specific classification based on the Jacob´s ladder in combination with various Pople's basis sets. Ab-initio calculations at the complete basis set limit are in agreement to experimental reference data and identified a significant contribution of the electron correlation energy to the bond dissociation energy (BDE) of the oxygen-oxygen bond in hydrogen peroxide and the electron affinity (EA) of the hydroxyl radical. The studied DFT methods were able to reproduce the ab-initio reference values, although no functional was particularly better for both reactions. The inclusion of HF exchange in the DFT functionals lead in most cases to larger deviations, which might be related to the poor description of the two reactions by the HF method. Considering the computational cost, DFT methods provide better BDE and EA values than HF and post--HF methods with an almost MP2 or CCSD level of accuracy. However, no systematic general prediction of the error based on the employed functional could be established and no systematic improvement with increasing the size in the Pople's basis set was found, although for BDE values certain systematic basis set dependence was observed. Moreover, the quality of the hydrogen peroxide, hydroxyl radical and hydroxyl anion structures obtained from these functionals was compared to experimental reference data. In general, bond lengths were well reproduced and the error in the angles were between one and two degrees with some systematic trend with the basis sets. From our results we conclude that DFT methods present a computationally less expensive alternative to describe the two elementary steps of the Fenton reaction. However, choice of approximated functionals and basis sets must be carefully done and the provided benchmark allows a systematic validation of the electronic structure method to be employed

scholarly journals Killing of Bacillus Spores by Aqueous Dissolved Oxygen, Ascorbic Acid, and Copper Ions

2003 ◽  
Vol 69 (4) ◽  
pp. 2245-2252 ◽  
Author(s):  
J. B. Cross ◽  
R. P. Currier ◽  
D. J. Torraco ◽  
L. A. Vanderberg ◽  
G. L. Wagner ◽  
...  
Keyword(s):  
Hydrogen Peroxide ◽  
Ascorbic Acid ◽  
Dissolved Oxygen ◽  
Hydroxyl Radicals ◽  
Fenton Reaction ◽  
Copper Ions ◽  
Transition Metal Ions ◽  
Fenton Reagent ◽  
Bacillus Spores ◽  
Modified Fenton

ABSTRACT An approach to decontamination of biological endospores is discussed. Specifically, the performance of an aqueous modified Fenton reagent is examined. A modified Fenton reagent formulation of cupric chloride, ascorbic acid, and sodium chloride is shown to be an effective sporicide under aerobic conditions. The traditional Fenton reaction involves the conversion of hydrogen peroxide to hydroxyl radical by aqueous ionic catalysts such as the transition metal ions. Our modified Fenton reaction involves the conversion of aqueous dissolved oxygen to hydrogen peroxide by an ionic catalyst (Cu2+) and then subsequent conversion to hydroxyl radicals. Results are given for the modified Fenton reagent deactivating spores of Bacillus globigii. A biocidal mechanism is proposed that is consistent with our experimental results and independently derived information found in the literature. This mechanism requires diffusion of relatively benign species into the interior of the spore, where dissolved O2 is then converted through a series of reactions which ultimately produce hydroxyl radicals that perform the killing action.

The effects of high dose rates of ionizing radiations on solutions of iron and cerium salts

1960 ◽  
Vol 255 (1283) ◽  
pp. 490-508 ◽  
Keyword(s):  
Hydrogen Peroxide ◽  
Dose Rate ◽  
Ferrous Sulphate ◽  
High Dose ◽  
Oh Radicals ◽  
Dose Rates ◽  
Reaction Zones ◽  
Constant Dose ◽  
Ceric Sulphate ◽  
Ionizing Radiations

The electron beam generated by a 15 MeV linear accelerator has been employed to induce reactions in aerated aqueous solutions of 1 to 25 mM ferrous sulphate, and of 0⋅1 to 1 mM ceric sulphate. The radiation was delivered in pulses of 1⋅3 μ s duration and over a range of dose rates from 0⋅5 to 20000 rads/pulse. Radiation yields at constant dose rate were compared with the aid of a chemical dose monitor. A system of two thin, widely spaced, irradiation vessels was employed to determine the variation of yield of any one system over successive known ranges of dose rate. The yield of ferric sulphate in the iron system was found to decrease with increasing dose rate in the range 0⋅01 to 10 krads/pulse by an overall factor of 0⋅85, and was appreciably dependent on the initial concentrations of dissolved oxygen and of ferrous sulphate at high dose rates. Yields of hydrogen and of hydrogen peroxide were practically independent of dose rate. The observations have been interpreted on the basis of inter-radical reactions which occur when the reaction zones of neighbouring clusters overlap. The following reactions can account for all the data: OH + Fe 2+ → Fe 3+ + OH ¯ , (1) H + O 2 → HO 2 , (2) H + OH → H 2 O. (7) The values k 1 / k 7 = 0⋅0062, and k 2 / k 7 = 0⋅22 are reasonably consistent with the observations. In the ceric sulphate system the yield of cerous sulphate increases progressively over the range 0⋅01 to 10 krads/pulse by an overall factor of 1⋅4. The data accord with the view that at high dose rates OH radicals react with them selves ultimately to form hydrogen peroxide, in competition with their normal reaction with cerous sulphate.

Toxicity of iron and hydrogen peroxide: the Fenton reaction

1995 ◽  
Vol 82-83 ◽  
pp. 969-974 ◽  
Author(s):  
Christine C. Winterbourn
Keyword(s):  
Hydrogen Peroxide ◽  
Fenton Reaction

The Principle of Detailed Balancing, the Iron-Catalyzed Disproportionation of Hydrogen Peroxide, and the Fenton Reaction

2022 ◽  
Author(s):  
David M. Stanbury
Keyword(s):  
Hydrogen Peroxide ◽  
Fenton Reaction ◽  
Detailed Balancing

The iron-catalyzed disproportionation of H2O2 has been investigated for over a century, as has been its ability to induce the oxidation of other species present in the system (Fenton reaction)....

Tetracycline Removal Enhancement With Fe-Saturated Nanoporous Montmorillonite in a Tripartite Adsorption/Desorption/Photo-Fenton Degradation Process

2021 ◽  
Author(s):  
Shiva Chahardahmasoumi ◽  
Seyed Amir Hossein Jalali ◽  
Mehdi Nasiri Sarvi
Keyword(s):  
Antimicrobial Activity ◽  
Visible Light ◽  
Fenton Reaction ◽  
Degradation Process ◽  
Oh Radicals ◽  
Desorption Process ◽  
High Tc ◽  
Modified Montmorillonite ◽  
Adsorption Desorption ◽  
First Time

Abstract The adsorption and photo-Fenton degradation of tetracycline (TC) over Fe saturated nanoporous montmorillonite was analyzed. The synthesized samples were characterized using XRD, FTIR, SEM, and XRF analysis, and the adsorption and desorption of TC onto these samples as well as the antimicrobial activity of TC during these processes were analyzed at different pH. The results indicated that the montmorillonite is a great adsorbent for the separation of the TC from aqueous solutions, however, after increasing the amount of TC adsorbed, the desorption process started, and up to 50% of TC adsorbed onto non-modified montmorillonite was released back to the solution with almost no changes in its antimicrobial activity. After acid treatment (for creation of nanoporous layers) and Fe saturation of the montmorillonite, almost similar great separation was achieved compared to non-modified montmorillonite. In addition, the desorption of TC from modified montmorillonite was still high up to 40% of adsorbed TC. However, simultaneous adsorption and photodegradation of TC were detected and almost no antimicrobial activity was detected after 180 min of visible light irradiation, which could be due to the photo-Fenton degradation of TC on the modified montmorillonite surface. In the porous structures of modified montmorillonite high ˙OH radicals were created in the photo-Fenton reaction and were measured using the Coumarin technique. The ˙OH radicals help the degradation of TC as proposed in an oxidation process. Surprisingly, more than 90 % of antimicrobial activity of the TC decreased under visible light (after 180 min) when desorbed from nanoporous Fe-saturated montmorillonite compared to natural montmorillonite. To the best of our knowledge, this is the first time that such a high TC desorption rate from an adsorbent with the least remained antimicrobial activity is reported which makes nanoporous Fe-saturated montmorillonite a perfect separation substance of TC from the environment.

scholarly journals Electrochemical Reaction in Hydrogen Peroxide and Structural Change of Platinum Nanoparticle-Supported Carbon Nanowalls Grown Using Plasma-Enhanced Chemical Vapor Deposition

2019 ◽  
Vol 5 (1) ◽  
pp. 7
Author(s):  
Masakazu Tomatsu ◽  
Mineo Hiramatsu ◽  
Hiroki Kondo ◽  
Kenji Ishikawa ◽  
Takayoshi Tsutsumi ◽  
...  
Keyword(s):  
Hydrogen Peroxide ◽  
Chemical Vapor Deposition ◽  
Vapor Deposition ◽  
Degradation Mechanism ◽  
Chemical Vapor ◽  
Oh Radicals ◽  
Platinum Nanoparticle ◽  
H2o2 Reduction ◽  
Carbon Nanowalls ◽  
Cv Measurements

Hydrogen peroxide (H2O2) reactions on platinum nanoparticle-decorated carbon nanowalls (Pt-CNWs) under potential applications were investigated on a platform of CNWs grown on carbon fiber paper (CFP) using plasma-enhanced chemical vapor deposition. Through repeated cyclic voltammetry (CV), measurements of 1000 cycles using the Pt-CNW electrodes in phosphate-buffered saline (PBS) solution with 240 μM of H2O2, the observed response peak currents of H2O2 reduction decreased with the number of cycles, which is attributed to decomposition of H2O2. After CV measurements for a total of 3000 cycles, the density and height of CNWs were reduced and their surface morphology changed. Energy-dispersive X-ray (EDX) compositional mapping revealed agglomeration of Pt nanoparticles around the top edges of CNWs. The degradation mechanism of Pt-CNWs under potential application with H2O2 is discussed by focusing on the behavior of OH radicals generated by the H2O2 reduction.

Sign in / Sign up

Export Citation Format

Share Document