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Готові списки джерел за темами / Selective oxidation model / Статті в журналах

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Статті в журналах з теми "Selective oxidation model"

Автор: Grafiati

Опубліковано: 3 червня 2022

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1

Gao, Ruili, Yanding Li, Hoon Kim, Justin K. Mobley, and John Ralph. "Selective Oxidation of Lignin Model Compounds." ChemSusChem 11, no. 13 (May 30, 2018): 2045–50. http://dx.doi.org/10.1002/cssc.201800598.

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2

Gomez, Jean-Marc, Laurent Gil, Clotilde Ferroud, Alice Gateau-Olesker, Marie-Thérèse Martin, and Christian Marazano. "Selective Oxidation of a Keramaphidin B Model." Journal of Organic Chemistry 66, no. 14 (July 2001): 4898–903. http://dx.doi.org/10.1021/jo015680i.

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3

Căldăraru, H., G. Filoti, R. Mănăilă, M. Căldăraru, N. I. Ionescu, M. Selenina, and K. H. Schnabel. "Model Phases for Selective Oxidation and Ammoxidation." Zeitschrift für Physikalische Chemie 177, Part_1 (January 1992): 75–92. http://dx.doi.org/10.1524/zpch.1992.177.part_1.075.

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4

Laperdrix, E., G. Costentin, N. Nguyen, F. Studer, and J. C. Lavalley. "Study of H2S selective oxidation on new model catalysts." Catalysis Today 61, no. 1-4 (August 2000): 149–55. http://dx.doi.org/10.1016/s0920-5861(00)00363-1.

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5

Hess, Christian. "Nanostructured Vanadium Oxide Model Catalysts for Selective Oxidation Reactions." ChemPhysChem 10, no. 2 (February 2, 2009): 319–26. http://dx.doi.org/10.1002/cphc.200800585.

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6

Chen, Yueying, Aiguo Xue, Haomin Jiang, Yujuan Cheng, Yuan Ren, Yanzhi Sun, and Yongmei Chen. "A two-phase reaction system for selective oxidative degradation of lignin model compounds." BioResources 15, no. 3 (July 8, 2020): 6526–38. http://dx.doi.org/10.15376/biores.15.3.6526-6538.

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Анотація:

Lignin depolymerization through an oxidation method could provide value-added products, but it is challenging in terms of recovering catalysts or separating products in time to avoid over-oxidation. In this study, a process of selectively oxidative degradation of lignin model compounds was operated in a two-phase reaction system. Lignin model compounds of 4-benzyloxyphenol (PBP) or guaiacylglycerol-β-guaiacyl ether (GGE) in a bottom phase of 1-butyl-3-methylimidazole chloride ([BMIM]Cl) ionic liquid were selectively oxidized by H2O2 in the presence of a solid acid (SO42-/Fe2O3-ZrO2), and the degradation products immediately diffused into the upper organic solvent phase (butyl acetate). In this kind of reaction system, the yield of the products was improved due to the prolonged life of ∙OH in ionic liquid, and the product selectivity was maintained due to the timely product separation, and the ionic liquid and the catalyst were easily recycled.

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7

Filipek, Robert. "Modelling of Interdiffusion and Reactions at the Boundary; Initial-Value Problem of Interdiffusion in the Open System." Defect and Diffusion Forum 237-240 (April 2005): 250–56. http://dx.doi.org/10.4028/www.scientific.net/ddf.237-240.250.

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Анотація:

The application of the Danielewski-Holly model of interdiffusion for modelling of selective and concurrent oxidation of multi-component alloys is presented. This model enables prediction of the evolution of components distributions taking into account interdiffusion and the reactions at the boundary, e.g, due to the oxidation/sulphidation processes. The model is subsequently reformulated to the form suitable for numerical calculation. For illustrating its capabilities modelling of the selective oxidation of Ni-Pt alloys is presented. The results are compared with those obtained from Wagner model. Both models give exactly the same results for the longer reaction times. In Wagner model the equilibrium concentration of the elements at the boundary is reached instantly while in this model it changes with time. Consequently the model allows modelling of initial stages of oxidation.

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8

Corberán, Vicente Cortés, Almudena Gómez-Avilés, Susana Martínez-González, Svetlana Ivanova, María I. Domínguez, and María Elena González-Pérez. "Heterogeneous selective oxidation of fatty alcohols: Oxidation of 1-tetradecanol as a model substrate." Catalysis Today 238 (December 2014): 49–53. http://dx.doi.org/10.1016/j.cattod.2014.03.033.

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9

Chan-Thaw, Carine, Aditya Savara, and Alberto Villa. "Selective Benzyl Alcohol Oxidation over Pd Catalysts." Catalysts 8, no. 10 (September 30, 2018): 431. http://dx.doi.org/10.3390/catal8100431.

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Анотація:

In the last decades, the selective liquid phase oxidation of alcohols to the corresponding carbonyl compounds has been a subject of growing interest. Research has focused on green methods that use “clean” oxidants such as O2 in combination with supported metal nanoparticles as the catalyst. Among the alcohols, benzyl alcohol is one of the most studied substrates. Indeed, benzyl alcohol can be converted to benzaldehyde, largely for use in the pharmaceutical and agricultural industries. This conversion serves as model reaction in testing new potential catalysts, that can then be applied to other systems. Pd based catalysts have been extensively studied as active catalytic metals for alcohol oxidation for their high activity and selectivity to the corresponding aldehyde. Several catalytic materials obtained by careful control of the morphology of Pd nanoparticles, (including bimetallic systems) and by tuning the support properties have been developed. Moreover, reaction conditions, including solvent, temperature, pressure and alcohol concentration have been investigated to tune the selectivity to the desired products. Different reaction mechanisms and microkinetic models have been proposed. The aim of this review is to provide a critical description of the recent advances on Pd catalyzed benzyl alcohol oxidation.

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10

Al-Hunaiti, Afnan, Batool Abu-Radaha, Darren Wraith, and Timo Repo. "Catalytic behaviour of the Cu(i)/L/TEMPO system for aerobic oxidation of alcohols – a kinetic and predictive model." RSC Advances 12, no. 13 (2022): 7864–71. http://dx.doi.org/10.1039/d1ra09359b.

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Анотація:

Here, we disclose a new copper(i)-Schiff base complex series for selective oxidation of primary alcohols to aldehydes under benign conditions. Both benzylic and aliphatic alcohols were converted to aldehydes selectively with 99% yield.

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11

Patil, Nikhil D., Soledad G. Yao, Mark S. Meier, Justin K. Mobley та Mark Crocker. "Selective cleavage of the Cα–Cβ linkage in lignin model compounds via Baeyer–Villiger oxidation". Organic & Biomolecular Chemistry 13, № 11 (2015): 3243–54. http://dx.doi.org/10.1039/c4ob01771d.

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12

Wierzba, Bartłomiej, and Marek Danielewski. "The Analysis of the Selective Oxidation of Multicomponent Alloy." Defect and Diffusion Forum 277 (April 2008): 149–54. http://dx.doi.org/10.4028/www.scientific.net/ddf.277.149.

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Анотація:

The model of the heterogeneous reaction between the alloy and oxidant is shown. The alloy reacts with oxidant and forms oxide scale. The reaction rate is controlled by the interdiffusion in alloy and the chemical diffusion through the compact scale. In this work we extend the Wagner model by introducing i) the variable instantaneous rate constant, ii) the composition dependent diffusivities of the alloy components and iii) the finite geometry of the oxidized alloy. The model allows us to predict the life time of the alloy and the evolution of the components concentration. The comparison of Wagner’s results and our extended analysis is shown.

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13

Campbell, Charles T. "Cesium-promoted silver(111): model studies of selective ethylene oxidation catalysts." Journal of Physical Chemistry 89, no. 26 (December 1985): 5789–95. http://dx.doi.org/10.1021/j100272a043.

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14

Walter, Anke, Mateusz Jastak, and Thorsten Ressler. "Mg-V-O Phases as Model Systems for Selective Oxidation Catalysts." Zeitschrift für anorganische und allgemeine Chemie 636, no. 11 (September 2010): 2084. http://dx.doi.org/10.1002/zaac.201009071.

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15

Ma, Yangyang, Zhongtian Du, Fei Xia, Jiping Ma, Jin Gao, and Jie Xu. "Mechanistic studies on the VO(acac)2-catalyzed oxidative cleavage of lignin model compounds in acetic acid." RSC Advances 6, no. 111 (2016): 110229–34. http://dx.doi.org/10.1039/c6ra23486k.

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Анотація:

Selective aerobic oxidation has provided a promising approach for breaking lignin into smaller aromatics. Here, the reaction pathway of VO(acac)₂-catalyzed oxidation of lignin model 2-phenoxy-1-phenylethanol in acetic acid was studied.

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16

Mamedova, M. T. "EFFECT OF CARBON DIOXIDE ON OXIDATIVE ETHYLBENZENE DEHYDROGENATION IN THE PRESENCE OF ALUMINUM-CHROMIUM CATALYSTS." Azerbaijan Chemical Journal, no. 2 (June 29, 2021): 69–79. http://dx.doi.org/10.32737/0005-2531-2021-2-69-79.

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In order to create a more efficient process for the production of styrene from ethylbenzene by selective oxidation of the resulting hydrogen, model aluminum-chromium catalysts with different modifier (Cu) contents were prepared, and O2, CO2 and a mixture of CO2:air were used as an oxidant. It has been es-tablished that the process of obtaining of styrene from ethylbenzene on alumochromic catalysts is characterized by a high intensity. Alumochromic catalysts modified by Cu and promoted by 15 mass.% K2CO3 in the presence of carbon dioxide increase the conversion of ethylbenzene by 14%, and the selectivity of the formation of styrene by 10% as a result of the transferring dehydrogenation of compaction products to the products of oxidative compaction. The presence of oxygen in the oxidizing mixture CO2:air blocks the participation of carbon dioxide in the selective oxidation of hydrogen isolating at the dehydrogenation of ethylbenzene. It has been established that the most selective alumochromic catalysts in the oxidative dehydrogenation of ethylbenzene to styrene contain 1.5–2.5 mass.% of the modifying component (Cu)

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17

Abd Hamid, S. B., D. Othman, N. Abdullah, O. Timpe, S. Knobl, D. Niemeyer, J. Wagner, D. Su, and R. Schlögl. "Structurally Complex Molybdenum Oxide Model Catalysts for the Selective Oxidation of Propene." Topics in Catalysis 24, no. 1-4 (October 2003): 87–95. http://dx.doi.org/10.1023/b:toca.0000003080.88144.3d.

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18

Rebitzki, Timm, Bernard Delmon, and Jochen H. Block. "Isothermal bistability due to remote control: A model for selective catalytic oxidation." AIChE Journal 41, no. 6 (June 1995): 1543–49. http://dx.doi.org/10.1002/aic.690410618.

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19

Badamali, Sushanta K., James H. Clark, and Simon W. Breeden. "Microwave assisted selective oxidation of lignin model phenolic monomer over SBA-15." Catalysis Communications 9, no. 13 (July 2008): 2168–70. http://dx.doi.org/10.1016/j.catcom.2008.04.012.

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20

Swaminathan, Srinivasan, and Michael Rohwerder. "Role of Forming Gas Annealing Characteristics on the Selective Surface Oxidation of Fe-Mn-Si-Cr Model Alloy." Defect and Diffusion Forum 312-315 (April 2011): 918–23. http://dx.doi.org/10.4028/www.scientific.net/ddf.312-315.918.

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Анотація:

To understand the role of annealing conditions on the segregation and selective oxidation phenomena, Fe 2Mn 2Si 0.8Cr (all in wt.%) model alloy was investigated. The samples were annealed at 820°C in N2-5%H2 forming gas atmospheres over a wide range of dew pints (-80 to 0°C) with dwelling time of 1 to 5 minutes. At all dew points, the strong chemical interaction between Mn and Si causes the formation of manganese silicates. External oxidation of Mn, Si and Cr were decreased at the higher dew points. Increasing the dwelling time shows an extended oxidation front i.e. pronounced external/internal oxidation of Mn, Si and Cr. Basically, the present work addresses the two stages of oxidation front.

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21

Wei, Xiu-Zhi, Jianguo Liu, and Longlong Ma. "Cleavage via Selective Catalytic Oxidation of Lignin or Lignin Model Compounds into Functional Chemicals." ChemEngineering 5, no. 4 (November 1, 2021): 74. http://dx.doi.org/10.3390/chemengineering5040074.

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Анотація:

Lignin, a complex aromatic polymer with different types of methoxylated phenylpropanoid connections, enables the sustainable supply of value-added chemicals and biofuels through its use as a feedstock. Despite the development of numerous methodologies that upgrade lignin to high-value chemicals such as drugs and organic synthesis intermediates, the variety of valuable products obtained from lignin is still very limited, mainly delivering hydrocarbons and oxygenates. Using selective oxidation and activation cleavage of lignin, we can obtain value-added aromatics, including phenols, aldehydes, ketones, and carboxylic acid. However, biorefineries will demand a broad spectrum of fine chemicals in the future, not just simple chemicals like aldehydes and ketones containing simple C = O groups. In particular, most n-containing aromatics, which have found important applications in materials science, agro-chemistry, and medicinal chemistry, such as amide, aniline, and nitrogen heterocyclic compounds, are obtained through n-containing reagents mediating the oxidation cleavage in lignin. This tutorial review provides updates on recent advances in different classes of chemicals from the catalytic oxidation system in lignin depolymerization, which also introduces those functionalized products through a conventional synthesis method. A comparison with traditional synthetic strategies reveals the feasibility of the lignin model and real lignin utilization. Promising applications of functionalized compounds in synthetic transformation, drugs, dyes, and textiles are also discussed.

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22

ur Rashid, Haroon, M. Sohail Ahmad, Mohammad Sadiq, and Razia Aman. "Potent Heterogeneous Catalyst for Low Temperature Selective Oxidation of Cyclohexanol by Molecular Oxygen." Journal of Chemistry 2016 (2016): 1–6. http://dx.doi.org/10.1155/2016/1254796.

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Platinum supported on zirconium dioxide catalyst was prepared by standard method and characterized by SEM, EDX, XRD, BET surface area and pore size analyzer, and FT-IR. The catalyst was screened for its catalytic activity in a model reaction, selective oxidation of cyclohexanol. The only one major product, cyclohexanone 31%, with 99.8% selectivity was obtained. Experimental data was analyzed through different kinetic models and we deduced that the reaction follows Langmuir-Hinshelwood mechanism. The apparent activation energy for the model reaction was calculated as 45 kJ/mole. The catalyst was regenerated several times with same efficiency.

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23

Han, Sungmin, Kihyun Shin, Graeme Henkelman, and C. Buddie Mullins. "Selective Oxidation of Acetaldehyde to Acetic Acid on Pd–Au Bimetallic Model Catalysts." ACS Catalysis 9, no. 5 (April 9, 2019): 4360–68. http://dx.doi.org/10.1021/acscatal.9b00079.

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24

Tunå, Per, and Jan Brandin. "Selective catalytic oxidation of ammonia by nitrogen oxides in a model synthesis gas." Fuel 105 (March 2013): 331–37. http://dx.doi.org/10.1016/j.fuel.2012.08.025.

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25

Dawange, Monali, Maxim V. Galkin, and Joseph S. M. Samec. "Selective Aerobic Benzylic Alcohol Oxidation of Lignin Model Compounds: Route to Aryl Ketones." ChemCatChem 7, no. 3 (December 8, 2014): 401–4. http://dx.doi.org/10.1002/cctc.201402825.

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26

Ramacharyulu, P. V. R. K., Sk Jahir Abbas, Smruti R. Sahoo, and Shyue-Chu Ke. "Mechanistic insights into 4-nitrophenol degradation and benzyl alcohol oxidation pathways over MgO/g-C3N4 model catalyst systems." Catalysis Science & Technology 8, no. 11 (2018): 2825–34. http://dx.doi.org/10.1039/c8cy00431e.

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27

Boncz, M. A., H. Bruning, and W. H. Rulkens. "Innovative reactor technology for selective oxidation of toxic organic pollutants in wastewater by ozone." Water Science and Technology 47, no. 10 (May 1, 2003): 17–24. http://dx.doi.org/10.2166/wst.2003.0527.

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Ozonation can be a suitable technique for the pre-treatment of wastewater containing low concentrations of toxic or non-biodegradable compounds that cannot be treated with satisfactory results when only the traditional, less expensive biological techniques are applied. In this case, the oxidation process has to be made as efficient as possible, in order to reduce the costs of ozone addition and energy use. An efficient oxidation process with ozone can be obtained by focusing the oxidation with ozone selectively on the direct oxidation of toxic pollutants and to minimize ozone losses due to the decay of ozone in water. Supported by data of the rate constants of the reactions involved, a mathematical model was developed. It quantifies the ozone consumption by the process, and the share of ozone consumption by undesired side reactions, in several different reactor systems. Results obtained with this model indicate that a plug flow reactor (PFR) will be the most efficient design for the oxidation reactor. As an alternative, the cascaded tank reactor system (CTR), in which the ozone feed may be realized with less practical problems, might be considered. The traditional continuous flow stirred tank reactor (CFSTR) is shown to be the least efficient system.

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28

Cheng, R. Z., K. Uchida, and S. Kawakishi. "Selective oxidation of histidine residues in proteins or peptides through the copper(II)-catalysed autoxidation of glucosone." Biochemical Journal 285, no. 2 (July 15, 1992): 667–71. http://dx.doi.org/10.1042/bj2850667.

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Glucosone has been identified as the main intermediate sugar moiety product of the copper(II)-catalysed autoxidation of the Amadori compound [Kawakishi, Tsunehiro & Uchida (1991) Carbohydr. Res. 211, 167-171]. Oxidative fragmentation of the model protein, especially selective degradation of the histidine residue in protein or peptides mediated by the copper(II)-catalysed autoxidation of glucosone, is discussed in this paper. The oxidative damage to protein could be retarded by catalase (EC 1.11.1.16) and EDTA, while superoxide dismutase (EC 1.15.1.1) and hydroxyradical scavengers showed little effect. Through the process of the oxidative degradation of N-benzoylhistidine and other histidine-containing peptides, the oxidation of the imidazole ring in histidine caused by the glucosone-copper(II) system was the same as that by the ascorbate-copper(II) system. These facts suggest that the copper-catalysed autoxidation of glucosone could generate some active-oxygen species causing oxidative damage to protein similar to that caused by the ascorbate-copper(II) system.

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29

Danielewski, Marek, Robert Filipek, M. Pawełkiewicz, Dominika Klassek, and Krzysztof Jan Kurzydlowski. "Modelling of Oxidation of Fe-Ni-Cr Alloys." Defect and Diffusion Forum 237-240 (April 2005): 958–64. http://dx.doi.org/10.4028/www.scientific.net/ddf.237-240.958.

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Анотація:

Mathematical model of selective and competitive oxidation of multi-component non ideal alloys is used for modelling oxidation of Fe-Cr-Ni alloys. The model is based on: a) the Danielewski-Holly model of interdiffusion, b) the Wagner model of the Ni-Pt alloy oxidation, c) the postulate that the values of fluxes in reacting alloy are limited (the kinetic constraint) and d) the thermodynamics of the Fe-Ni-Cr system. In this paper for the first time modelling of oxidation of a ternary non-ideal alloy based on Danielewski-Holly model is presented. The model is used to predict the evolution of component distributions in the reacting ternary Fe-Cr-Ni alloy. The results of the modelling of oxidation of the 316L stainless steel at 1173 K are presented. We compute the chromium depletion during the long term oxidation. The results allows to conclude that the oxidation reaction is limited by interdiffusion in reacting alloy. The computations demonstrate that the chromium depletion is the key factor affecting the scale stability during the long time exposition.

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30

Zwaschka, G., M. Rondelli, M. Krause, M. D. Rötzer, M. N. Hedhili, U. Heiz, J. M. Basset, F. F. Schweinberger, and V. D'Elia. "Supported sub-nanometer Ta oxide clusters as model catalysts for the selective epoxidation of cyclooctene." New Journal of Chemistry 42, no. 4 (2018): 3035–41. http://dx.doi.org/10.1039/c7nj04275b.

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The preparation of organic ligand-free, isolated and catalytically active tantalum oxide complexes (Ta₁) and small clusters (Ta_n>1) on flat silicate support was accomplished by ultra-high vacuum (UHV) techniques followed by oxidation in air.

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31

Swaminathan, Srinivasan, and Michael Rohwerder. "Segregation and Selective Surface Oxidation at the Intermediate Steps of Recrystallization Annealing." Defect and Diffusion Forum 309-310 (March 2011): 203–8. http://dx.doi.org/10.4028/www.scientific.net/ddf.309-310.203.

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High strength steels for automotive industry undergo recrystallization annealing in N2-H2 gas atmosphere prior to hot dip galvanizing. Segregation and selective surface oxidation of the alloying elements (Al, Mn, Si, Cr etc.) depending on their extend, can be a serious problem for subsequent galvanizing as the wettability of these oxides with zinc is poor. Moreover, the H2 uptake from the annealing atmosphere majorly depends on the surface evolution during recrystallization annealing. In order to understand the surface phenomena during annealing of multicomponent alloy (i.e. steel), a systematic approach on model alloys is needed. In this work, selective surface oxidation of Mn, Al and the reduction of native Fe oxides in Fe 2 wt. % Mn and Fe 3 wt. % Al binary model alloys have been investigated by interrupting the recrystallization annealing cycle at the desired temperature. The specimens were annealed to various temperatures (200-800 °C) in N2-5%H2 gas atmospheres with a dew point of 30 °C. It has been found that the segregation and selective oxidation of the alloying elements starts at 300 °C whereas the significant reduction of native Fe oxides takes place at 400 °C. Further increase of temperature, increases the surface coverage by forming the oxide islands.

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32

Pacella, Ilenia, Claudio Procaccini, Chiara Focaccetti, Stefano Miacci, Eleonora Timperi, Deriggio Faicchia, Martina Severa, et al. "Fatty acid metabolism complements glycolysis in the selective regulatory T cell expansion during tumor growth." Proceedings of the National Academy of Sciences 115, no. 28 (June 25, 2018): E6546—E6555. http://dx.doi.org/10.1073/pnas.1720113115.

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The tumor microenvironment restrains conventional T cell (Tconv) activation while facilitating the expansion of Tregs. Here we showed that Tregs’ advantage in the tumor milieu relies on supplemental energetic routes involving lipid metabolism. In murine models, tumor-infiltrating Tregs displayed intracellular lipid accumulation, which was attributable to an increased rate of fatty acid (FA) synthesis. Since the relative advantage in glucose uptake may fuel FA synthesis in intratumoral Tregs, we demonstrated that both glycolytic and oxidative metabolism contribute to Tregs’ expansion. We corroborated our data in human tumors showing that Tregs displayed a gene signature oriented toward glycolysis and lipid synthesis. Our data support a model in which signals from the tumor microenvironment induce a circuitry of glycolysis, FA synthesis, and oxidation that confers a preferential proliferative advantage to Tregs, whose targeting might represent a strategy for cancer treatment.

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33

Thavornprasert, Kaew-arpha, Béatrice de la Goublaye de Ménorval, Mickaël Capron, Julien Gornay, Louise Jalowiecki-Duhamel, Xavier Sécordel, Sylvain Cristol, Jean-Luc Dubois, and Franck Dumeignil. "Selective oxidation of ethanol towards a highly valuable product over industrial and model catalysts." Biofuels 3, no. 1 (January 2012): 25–34. http://dx.doi.org/10.4155/bfs.11.144.

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34

Sadual, Rojalin, Sushanta K. Badamali, and Rajesh K. Singh. "Studies on Mesoporous CoSBA-15 Catalysed Selective Oxidation of a Lignin Model Phenolic Monomer." Advanced Porous Materials 2, no. 1 (March 1, 2014): 48–53. http://dx.doi.org/10.1166/apm.2014.1044.

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35

ROSSIGNOL, C., S. ARRII, F. MORFIN, L. PICCOLO, V. CAPS, and J. ROUSSET. "Selective oxidation of CO over model gold-based catalysts in the presence of H." Journal of Catalysis 230, no. 2 (March 10, 2005): 476–83. http://dx.doi.org/10.1016/j.jcat.2005.01.011.

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36

Matienko, Ludmila, Vladimir Binyukov, Elena Mil, and Alexander Goloshchapov. "Role of PhOH and Tyrosine in Selective Oxidation of Hydrocarbons." Catalysts 11, no. 9 (August 26, 2021): 1032. http://dx.doi.org/10.3390/catal11091032.

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Earlier, we established that nickel or iron heteroligand complexes, which include PhOH (nickel complexes) or tyrosine residue (nickel or iron complexes), are not only hydrocarbon oxidation catalysts (in the case of PhOH), but also simulate the active centers of enzymes (PhOH, tyrosine). The AFM method established the self-organization of nickel or iron heteroligand complexes, which included tyrosine residue or PhOH, into supramolecular structures on a modified silicon surface. Supramolecular structures were formed as a result of H-bonds and other non-covalent intermolecular interactions and, to a certain extent, reflected the structures involved in the mechanisms of reactions of homogeneous and enzymatic catalysis. Using the AFM method, we obtained evidence at the model level in favor of the involvement of the tyrosine fragment as one of the possible regulatory factors in the functioning of Ni(Fe)ARD dioxygenases or monooxygenases of the family of cytochrome P450. The principles of actions of these oxygenases were used to create highly efficient catalytic systems for the oxidation of hydrocarbons.

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37

Li, Songfeng, Chunhua Zhang, Ao Zhou, Yangyang Li, Peng Yin, Chunfang Mu, and Jinyuan Xu. "Experimental and kinetic modeling study for N2O formation of NH3-SCR over commercial Cu-zeolite catalyst." Advances in Mechanical Engineering 13, no. 4 (April 2021): 168781402110106. http://dx.doi.org/10.1177/16878140211010648.

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In this paper, a systematic experimental and kinetic model investigation was conducted over Cu-SSZ-13 catalyst to study the DeNOx efficiency and N2O formation for selective catalytic reduction of NOx with NH3 (NH3-SCR). The kinetic model was developed for various reactions to take place in the NH3-SCR system, including NH3 adsorption/desorption, NH3 oxidation, NO oxidation, standard SCR, fast SCR, slow SCR and N2O formation reactions. In addition, the reaction of N2O formation from NH3 non-selective oxidation was taken into account. All the experiments were performed in a flow reactor with a feed stream near to the real application of diesel engine vehicles exhaust. The current model can satisfactorily predict the steady state conversion rate of various species at the reactor outlet and the effect of gas hourly space velocities and ammonia nitrogen ratio on N2O formation. The results show that the kinetic model can simulate the reaction process of the Cu-SSZ-13 catalyst well. This is significant for the optimization of NH3-SCR system for achieving the higher DeNOx efficiency and the lower N2O emission.

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38

Chen, Jing, Hanling Yang, Hongquan Fu, Hongyan He, Qiang Zeng та Xuehui Li. "Electrochemical oxidation mechanisms for selective products due to C–O and C–C cleavages of β-O-4 linkages in lignin model compounds". Physical Chemistry Chemical Physics 22, № 20 (2020): 11508–18. http://dx.doi.org/10.1039/d0cp01091j.

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39

Danielewski, Marek, Robert Filipek, and Barbara Kucharska. "Prediction of the Depletion Zone due to Selective Oxidation of P91 Steel." Defect and Diffusion Forum 237-240 (April 2005): 965–70. http://dx.doi.org/10.4028/www.scientific.net/ddf.237-240.965.

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Experimental measurements do not allow for a unique determination of the concentration profiles, e.g., in case of multi-layer systems. The measured concentration of the elements at the alloy/scale interface is an average concentration in an alloy and in a scale near the spot of the beam [1]. The knowledge of the concentration of the elements at the boundary is necessary for the understanding corrosion of alloys. This essential obstacle of experimental techniques can be overcome by computer modelling. Namely, by combining the different methods (non-unique measurement with unique modelling). The Danielewski-Holly model of interdiffusion has a unique solution. This model enables to predict the evolution of component distributions in the reacting alloy. The model is valid for time dependent boundary conditions and consequently can be used for modelling the more complex reactions, eg., the formation of complex oxides. To avoid the nonphysical values of fluxes in reacting alloy the kinetic constraint on all fluxes was introduced, i.e., the flux limitation method. The results of the selective oxidation of the P91 steel (0,1 wt.% C, 8,6 wt.% Cr, 0,25 wt.% Ni) are presented. Calculated concentration profiles are compared with the experimental data. We show the evolution of chromium distribution in oxidizing steel up to 3 000 hours. The computations demonstrate that chromium depletion is the key factor determining the scale composition.

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40

Dong, Huanhuan, Shichao Xu, Jing Wang, Yuxiang Chen, Liangwu Bi та Zhendong Zhao. "Selective aerobic allylic oxidation of α-pinene catalyzed by metalloporphyrins in the absence of solvents and additives". Journal of Chemical Research 43, № 9-10 (15 серпня 2019): 419–25. http://dx.doi.org/10.1177/1747519819869558.

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Selective aerobic oxidation of α-pinene to high-value products is a major challenge in chemistry. Metalloporphyrins are proved to be selective catalysts for aerobic oxidation of simple hydrocarbons. Herein, we extend this method to more complex substrates using metallodeuteroporphyrins as model catalysts. It was found that the oxidation occurs mainly on the C=C and allylic C–H bonds of α-pinene influenced by the reaction temperature, reaction time, catalyst concentration, and oxygen flow rate. Allylic C–H oxidation products are obtained with a maximum selectivity value of 78.4% using the following reaction conditions: 105°C, 7 h, 5 ppm, and 60 mL/min. The influence of the metal nuclei of the metallodeuteroporphyrins on this reaction is also investigated. It was found that metallodeuteroporphyrins with Fe3+ as the metal nucleus exhibit the highest catalytic activity.

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41

Zimbitas, Georgina, and Willem G. Sloof. "Modeling Internal Oxidation of Binary Ni Alloys." Materials Science Forum 696 (September 2011): 82–87. http://dx.doi.org/10.4028/www.scientific.net/msf.696.82.

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A numerical model is presented to simulate the diffusional transport of oxygen and that of an alloying element, within a 1-D binary Ni alloy, leading to the selective oxidation of the alloying element and the formation of an internal oxide precipitate. This specific model is written in MATLAB and, with the aid of the Matlab Toolbox, is coupled to the ThermoCalc extensive database. A reaction time is introduced to overcome problems related to the difficulty of formation of the internal oxide. Two cases are considered: Al as the alloying element for which the solubility product of the oxide forming elements is small, and Mn for which it is large.

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42

Sharov, Victor S., Elena S. Dremina, Nadezhda A. Galeva, Todd D. Williams, and Christian Schöneich. "Quantitative mapping of oxidation-sensitive cysteine residues in SERCA in vivo and in vitro by HPLC–electrospray-tandem MS: selective protein oxidation during biological aging." Biochemical Journal 394, no. 3 (February 24, 2006): 605–15. http://dx.doi.org/10.1042/bj20051214.

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The selective reversible S-glutathiolation of specific SERCA (sarcoplasmic/endoplasmic-reticulum Ca2+-ATPase) cysteine residues represents a novel physiologic pathway of NO (nitric oxide)-dependent arterial smooth muscle relaxation [Adachi, Weisbrod, Pimentel, Ying, Sharov, Schöneich and Cohen (2004) Nat. Med. 10, 1200–1207]. This mechanism may be impaired through the irreversible oxidation of functionally important cysteine residues as a consequence of oxidative stress and aging. To establish whether in vivo aging and in vitro oxidation by peroxynitrite result in the loss of such functionally important cysteine residues of SERCA, we have developed and optimized a quantitative method to monitor the oxidation state of the individual SERCA cysteine residues using a maleimide-based fluorescence dye, TG1 (ThioGlo® 1), as a label for cysteine residues that have not been altered by oxidation and are not involved in disulphide bridges. A high efficiency for TG1 labelling of such residues and the chemical structure of cysteine–TG1 adducts were validated by MS analysis of model peptides, model proteins and rat skeletal muscle SERCA1. Tryptic peptides containing 18 out of a total of 24 cysteine residues were identified by HPLC–ESI (electrospray ionization)–MS/MS (tandem MS). Two cysteine residues, at positions 344 and 349, were detected in the form of an internal disulphide bridge, and another 16 were found to be labelled with TG1. Using HPLC–ESI–MS, we quantitatively mapped peroxynitrite oxidation of eight cysteine residues (positions 364, 417, 420, 498, 525, 674, 675 and 938), some of which are involved in the control of SERCA activity. Biological aging resulted in the partial modification of cysteine residues 377, 498, 525, 561, 614, 636, 674, 675, 774 and 938. Neither peroxynitrite exposure nor biological aging affected the apparent SERCA1 ATP affinity. Our data show an age-dependent loss of cysteine residues (approx. 2.8 mol of cysteine/mol of SERCA1), which may be partially responsible for the age-dependent decrease in the specific Ca2+-ATPase activity (by 40%).

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43

Dawange, Monali, Maxim V. Galkin, and Joseph S. M. Samec. "ChemInform Abstract: Selective Aerobic Benzylic Alcohol Oxidation of Lignin Model Compounds: Route to Aryl Ketones." ChemInform 46, no. 25 (June 2015): no. http://dx.doi.org/10.1002/chin.201525093.

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44

Al-Saeedi, Jamal N., Vijay K. Vasudevan, and Vadim V. Guliants. "Model bulk Mo–V–Te–O catalysts for selective oxidation of propane to acrylic acid." Catalysis Communications 4, no. 10 (October 2003): 537–42. http://dx.doi.org/10.1016/j.catcom.2003.08.007.

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45

Gong, L., N. Ruscassier, M. Ayouz, P. Haghi-Ashtiani, and M. L. Giorgi. "Analytical model of selective external oxidation of Fe-Mn binary alloys during isothermal annealing treatment." Corrosion Science 166 (April 2020): 108454. http://dx.doi.org/10.1016/j.corsci.2020.108454.

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46

Pittalà, Maria Gaetana Giovanna, Simona Reina, Salvatore Antonio Maria Cubisino, Annamaria Cucina, Beatrice Formicola, Vincenzo Cunsolo, Salvatore Foti, Rosaria Saletti, and Angela Messina. "Post-Translational Modification Analysis of VDAC1 in ALS-SOD1 Model Cells Reveals Specific Asparagine and Glutamine Deamidation." Antioxidants 9, no. 12 (December 2, 2020): 1218. http://dx.doi.org/10.3390/antiox9121218.

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Mitochondria from affected tissues of amyotrophic lateral sclerosis (ALS) patients show morphological and biochemical abnormalities. Mitochondrial dysfunction causes oxidative damage and the accumulation of ROS, and represents one of the major triggers of selective death of motor neurons in ALS. We aimed to assess whether oxidative stress in ALS induces post-translational modifications (PTMs) in VDAC1, the main protein of the outer mitochondrial membrane and known to interact with SOD1 mutants related to ALS. In this work, specific PTMs of the VDAC1 protein purified by hydroxyapatite from mitochondria of a NSC34 cell line expressing human SOD1G93A, a suitable ALS motor neuron model, were analyzed by tryptic and chymotryptic proteolysis and UHPLC/High-Resolution ESI-MS/MS. We found selective deamidations of asparagine and glutamine of VDAC1 in ALS-related NSC34-SOD1G93A cells but not in NSC34-SOD1WT or NSC34 cells. In addition, we identified differences in the over-oxidation of methionine and cysteines between VDAC1 purified from ALS model or non-ALS NSC34 cells. The specific range of PTMs identified exclusively in VDAC1 from NSC34-SOD1G93A cells but not from NSC34 control lines, suggests the appearance of important changes to the structure of the VDAC1 channel and therefore to the bioenergetics metabolism of ALS motor neurons. Data are available via ProteomeXchange with identifier <PXD022598>.

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47

Chevallier, Marion L., Sarah Dessolin, Fanny Serres, Lucile Bruyas, and Gregory Chatel. "Effect of Ultrasound on the Green Selective Oxidation of Benzyl Alcohol to Benzaldehyde." Molecules 24, no. 22 (November 16, 2019): 4157. http://dx.doi.org/10.3390/molecules24224157.

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Oxidation of alcohols plays an important role in industrial chemistry. Novel green techniques, such as sonochemistry, could be economically interesting by improving industrial synthesis yield. In this paper, we studied the selective oxidation of benzyl alcohol as a model of aromatic alcohol compound under various experimental parameters such as substrate concentration, oxidant nature and concentration, catalyst nature and concentration, temperature, pH, reaction duration, and ultrasound frequency. The influence of each parameter was studied with and without ultrasound to identify the individual sonochemical effect on the transformation. Our main finding was an increase in the yield and selectivity for benzaldehyde under ultrasonic conditions. Hydrogen peroxide and iron sulfate were used as green oxidant and catalyst. Coupled with ultrasound, these conditions increased the benzaldehyde yield by +45% compared to silent conditions. Investigation concerning the transformation mechanism revealed the involvement of radical species.

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48

Sprenger, Paul, Thomas Sheppard, Jussi-Petteri Suuronen, Abhijeet Gaur, Federico Benzi, and Jan-Dierk Grunwaldt. "Structural Evolution of Highly Active Multicomponent Catalysts for Selective Propylene Oxidation." Catalysts 8, no. 9 (August 27, 2018): 356. http://dx.doi.org/10.3390/catal8090356.

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Multicomponent Bi-Mo-Fe-Co oxide catalysts prepared via flame spray pyrolysis were tested for selective propylene oxidation, showing high conversion (>70%) and selectivity (>85%) for acrolein and acrylic acid at temperatures of 330 °C. During extended time-on-stream tests (5–7 days), the catalysts retained high activity while undergoing diverse structural changes. This was evident on: (a) the atomic scale, using powder X-ray diffraction, Raman spectroscopy, X-ray absorption spectroscopy, X-ray photoelectron spectroscopy, and transmission electron microscopy; and (b) the microscopic scale, using synchrotron X-ray nanotomography, including full-field holotomography, scanning X-ray fluorescence, and absorption contrast imaging. On the atomic scale, sintering, coke formation, growth, and transformation of active and spectator components were observed. On the microscopic scale, the catalyst life cycle was studied at various stages through noninvasive imaging of a ~50-µm grain with 100-nm resolution. Variation of catalyst synthesis parameters led to the formation of notably different structural compositions after reaction. Mobile bismuth species formed agglomerates of several hundred nanometres and segregated within the catalyst interior. This appeared to facilitate the formation of different active phases and induce selectivity for acrolein and acrylic acid. The combined multiscale approach here is generally applicable for deconvolution of complex catalyst systems. This is an important step to bridge model two-component catalysts with more relevant but complex multicomponent catalysts.

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49

Rafiee, Ezzat, and Nasibeh Rahpeyma. "Selective oxidation of sulfurs and oxidation desulfurization of model oil by 12-tungstophosphoric acid on cobalt-ferrite nanoparticles as magnetically recoverable catalyst." Chinese Journal of Catalysis 36, no. 8 (August 2015): 1342–49. http://dx.doi.org/10.1016/s1872-2067(15)60862-2.

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50

Vulpescu, George D., Matthijs Ruitenbeek, Lambert L. van Lieshout, Luci A. Correia, Dick Meyer, and Paul P. A. C. Pex. "One-step selective oxidation over a Pd-based catalytic membrane; evaluation of the oxidation of benzene to phenol as a model reaction." Catalysis Communications 5, no. 6 (June 2004): 347–51. http://dx.doi.org/10.1016/j.catcom.2004.04.002.

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