Mostrando 10 resultados de: 23
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Chemical Physics Letters(4)
Periodico Tche Quimica(3)
Computational and Theoretical Chemistry(2)
International Journal of Quantum Chemistry(2)
Journal of Molecular Modeling(2)
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Química física(8)
Química orgánica(8)
Ciencias de la computación(5)
Farmacología y terapéutica(5)
Química analítica(5)
A computational study of steviol and its suggested anticancer activity. A DFT and docking study
ArticleAbstract: In the present, study we analyzed the electronic properties of Steviol, the Stevia rebaudiana metaboPalabras claves:Acceptor-donor, Antiapoptotic, BCL-2, DFT, STEVIOLAutores:Belhassan A., Gerli L., Lorena Maribel Meneses-Olmedo, Mendoza-Huizar L.H., Muñoz P., Salgado G., Sebastian CuestaFuentes:googlescopusA proposal for a new local hardness as selectivity index
ArticleAbstract: An empirical local hardness index is introduced and tested. The usefulness of this new quantity as aPalabras claves:Autores:Contreras R., Fuentealba P., Lorena Maribel Meneses-Olmedo, Lorena Meneses, Tiznado W.Fuentes:googlescopusComputational Modeling of the Interaction of Silver Clusters with Carbohydrates
ArticleAbstract: Silver nanoparticles are recognized for their numerous physical, biological, and pharmaceutical applPalabras claves:Autores:Carrillo P., Felipe E. Gallegos, Fernanda Pilaquinga F．, Josefa Arias, Lorena Maribel Meneses-Olmedo, Lorena Meneses, Santos J.C., Sebastian CuestaFuentes:googlescopusComputational Modeling of the Interaction of Silver Nanoparticles with the Lipid Layer of the Skin
ArticleAbstract: Silver nanoparticles are recognized for numerous physical, biological, and pharmaceutical applicatioPalabras claves:Autores:Andrea Fabara, Fernanda Pilaquinga F．, Lorena Maribel Meneses-Olmedo, Sebastian CuestaFuentes:googlescopusComputational study of the binding mode, action mechanism and potency of pregabalin through molecular docking and quantum mechanical descriptors
ArticleAbstract: In the present study, we performed a computational study to gain insights on the binding mode and hiPalabras claves:Gabapentin, Molecular docking, Pregabalin, R-pregabalin, Voltage-gated calcium channelsAutores:Belhassan A., Gerli L., Lorena Maribel Meneses-Olmedo, Lorena Meneses, Mendoza-Huizar L.H., Muñoz C. P., Salgado Moran G., Sebastián Cuesta HoyosFuentes:googlescopusComputational study of vicarious nucleophilic substitution reactions
ArticleAbstract: Vicarious nucleophilic substitution reactions are a versatile way of introducing substituents into aPalabras claves:DFT, Electrophilic, Nitroarene, Nucleophilic substitution, reaction mechanism, VicariousAutores:Alejandra Castellanos, Lorena Maribel Meneses-Olmedo, Lorena Meneses, Sebastian Cuesta, Shirley MorochoFuentes:googlescopusDetermination of antioxidant activity by oxygen radical absorbance capacity (Orac-fl), cellular antioxidant activity (caa), electrochemical and microbiological analyses of silver nanoparticles using the aqueous leaf extract of solanum mammosum l.
ArticleAbstract: Purpose: The importance of studying polyphenolic compounds as natural antioxidants has encouraged thPalabras claves:Antioxidant activity, ORAC, silver nanoparticles, Solanum mammosum, VoltammetryAutores:Bosch R., Debut Alexis, Fernanda Pilaquinga F．, Josue Santiago Pozo Martínez, Lenys Fernández, Lorena Maribel Meneses-Olmedo, Moncada-Basualto M., Morey J., Olea-Azar C., Patricio Javier Espinoza-Montero, Piña M.d.l.N.Fuentes:orcidscopusExperimental and computational characterization of silver nanoparticles using matico (piper aduncum) leaves extract as reducing agent
ArticleAbstract: Silver nanoparticles are recognized for numerous physical, biological and pharmaceutical applicationPalabras claves:Computational interaction, PIPER ADUNCUM, quercetin, silver nanoparticlesAutores:Andrea Fabara, Eliza Jara-Negrete, Fernanda Pilaquinga F．, Lorena Maribel Meneses-Olmedo, Nathaly Santorum, Santiago AmpudiaFuentes:googlescopusInsights on the mechanism, reactivity and selectivity of fructose and tagatose dehydration into 5-hydroxymethylfurfural: A DFT study
ArticleAbstract: In this study, a computational DFT study was performed to propose a new acid catalyzed mechanism toPalabras claves:BIOMASS, Force quantum descriptor, fructose, Tagatose, TautomerizationAutores:Cardona Villada W., Gerli L., Lorena Maribel Meneses-Olmedo, Mendoza-Huizar L.H., Salgado Moran G., Sebastián Cuesta HoyosFuentes:scopusRelationship between the electrophilicity and σ<inf>p</inf> Hammett constant in Baeyer-Villiger reactions
ArticleAbstract: The Baeyer-Villiger oxidation of some aldehydes and ketones has been revised by using the electrophiPalabras claves:Autores:Araya A., Fernanda Pilaquinga F．, Fuentealba P., Lorena Maribel Meneses-OlmedoFuentes:scopus