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Classical QSAR and docking simulation of 4-pyridone derivatives for their antimalarial activity
ArticleAbstract: In this work, the minimum energy structures of 22 4-pyridone derivatives have been optimized at DensPalabras claves:Computational study, DFT, Molecular descriptors, Nitrogen compoundsAutores:Alcázar J.J., Flores-Sumoza M., Jose R. Mora, Lezama J., Marquez E.A., Puello-Polo E.Fuentes:googlescopusActivated carbon supported cobalt-molybdenum carbides: Effect of the synthesis method, heating rate, type of cobalt precursor and presulfiding agent on thiophene hydrodesulfurization
ArticleAbstract: This work studied the Effect of the presulfiding agent, type of precursor (sulfate vs. nitrate of prPalabras claves:Activated carbon, Co precursor type, Co-Mo carbides, Heating rate, Hydrodesulfurization, Presulfiding agent, Synthesis methodsAutores:Ayala M.V., Joaquin L. Brito, Puello-Polo E.Fuentes:googlescopusEffect of the activation process on thiophene hydrodesulfurization activity of activated carbon-supported bimetallic carbides
ArticleAbstract: The effect of passivation and presulfidation after carbiding of activated carbon-supported Fe-Mo, CoPalabras claves:Activated carbon, Carbides, Passivation effect, Sulfided surface, Thiophene hydrodesulfurizationAutores:Joaquin L. Brito, Puello-Polo E.Fuentes:googlescopusEffect of the structural modification by carbiding of alumina supported Anderson-type (NH<inf>4</inf>)<inf>4</inf>[NiMo<inf>6 − x</inf>W<inf>x</inf>O<inf>24</inf>H<inf>6</inf>]·5H<inf>2</inf>O on hydrodesulfurization, hydrodechlorination and selective oxidation
ArticleAbstract: The γ-Al2O3-supported Anderson-type complexes (NH4)4[NiMo6 − xWxO24H6]·5H2O (x = 0, 3 or 6) were carPalabras claves:Anderson-type heteropolyoxomolybdotungstate, Hydrodechlorination, Hydrodesulfurization, NiMoW carbides, SELECTIVE OXIDATION, Stoichiometric proportionsAutores:Diaz Y., Joaquin L. Brito, Puello-Polo E.Fuentes:scopusEffect of the type of precursor and the synthesis method on thiophene hydrodesulfurization activity of activated carbon supported Fe-Mo, Co-Mo and Ni-Mo carbides
ArticleAbstract: In this work it is studied the effect of the type of precursor (sulfate vs. nitrate of promotor) andPalabras claves:Activated carbon, Carbides, Precursor effect, Sulfided surface, Synthesis method effect, Thiophene hydrodesulfurizationAutores:Joaquin L. Brito, Puello-Polo E.Fuentes:googlescopusNature of the active phase in hydrodesulfurization: Molybdenum carbide supported on activated carbon
ArticleAbstract: This paper studies the effect of the presulfiding agent and the synthesis method on the catalytic acPalabras claves:Catalytic hydrotreating, Hydrodesulfurization, Molybdenum carbide, Presulfiding agent, Synthesis methodAutores:Ayala M.V., Joaquin L. Brito, Puello-Polo E.Fuentes:googlescopusOne-pot synthesis of Nb-modified Al<inf>2</inf>O<inf>3</inf> support for NiMo hydrodesulfurization catalysts
ReviewAbstract: The effect of Nb as a support modifier on the NiMo6/Al2O3–Nb2O5(x) (x = 0, 1, 4, and 8 wt% Nb) catalPalabras claves:Anderson-type heteropolyoxomolybdate, Hydrodesulfurization, Niobia–alumina, One-pot synthesisAutores:Joaquin L. Brito, Marquez E.A., Puello-Polo E.Fuentes:googlescopusRelationship between sulfidation and HDS catalytic activity of activated carbon supported Mo, Fe-Mo, Co-Mo and Ni-Mo carbides
ArticleAbstract: Temperature-programmed sulfiding (TPS) and temperature-programmed reduction of the sulfided catalystPalabras claves:Activated carbon support, Carbides, Sulfided surface, Thiophene hydrodesulfurization, TPR-S, TPSAutores:Gutiérrez-Alejandre A., Joaquin L. Brito, Luis José Borrero González, Puello-Polo E.Fuentes:scopusSulfidability and thiophene hydrodesulfurization activity of supported NiMo carbides
ArticleAbstract: Ni-Mo carbides supported on activated carbon were synthesized by carbothermal hydrogen reduction andPalabras claves:Activated carbon, Carbothermal hydrogen reduction, Ni-Mo carbides, Sulfiding, Thiophene hydrodesulfurizationAutores:Ayala-G M., Joaquin L. Brito, Puello-Polo E.Fuentes:googlescopusTheoretical study of the adsorption process of antimalarial drugs into acrylamide-base hydrogel model using DFT methods: The first approach to the rational design of a controlled drug delivery system
ArticleAbstract: The interaction between three widely used antimalarial drugs chloroquine, primaquine and amodiaquinePalabras claves:Binding energy, Computational modeling, Drug-delivery system, Hydrogel, Hydrogen bond, Plasmodium falciparumAutores:Cortés E., De Moya A., Jose R. Mora, Marquez E.A., Puello-Polo E., Rangel N., Trilleras J.Fuentes:googlescopus