Results 11 to 20 of about 987 (115)

Estudio teórico de endocanabinoides análogos a anandamida

open access: yesRevista Científica, 2013
A partir de métodos computacionales, se estudió un total de 90 reacciones diseñadas por el grupo de investigación de farmoquímica de la UPTC cuya finalidad es la síntesis y determinación de posible actividad farmacológica de derivados de la anandamida en
Luis Carlos García Sánchez   +2 more
doaj   +1 more source

Microwave assisted synthesis of metallic Ru for the HOR and ORR

open access: yesMaterials Research Express, 2020
Metallic ruthenium electrocatalyst with activity for the hydrogen oxidation reaction and the oxygen reduction reaction has been synthesized by microwave irradiation at 180 °C in deionized water as reaction media.
M Bernal-López   +4 more
doaj   +1 more source

Conceptual DFT, QTAIM, and Molecular Docking Approaches to Characterize the T-Type Calcium Channel Blocker Anandamide

open access: yesFrontiers in Chemistry, 2022
Graphical ...
Maricruz Rangel-Galván   +4 more
doaj   +1 more source

Insights on Potential Photoprotective Activity of Two Butylchalcone Derivatives: Synthesis, Spectroscopic Characterization and Molecular Modeling

open access: yesPhotonics, 2023
The development of photoprotective agents presents a growing interest due to skin disorders, e.g., cancer. In order to obtain natural-based compounds with potential photoprotective activity, we promote the synthesis and extensive characterization of a ...
Antônio S. N. Aguiar   +8 more
doaj   +1 more source

Towards the construction of an accurate kinetic energy density functional and its functional derivative through physics-informed neural networks

open access: yesJournal of Physics Communications, 2023
One of the primary obstacles in the development of orbital–free density functional theory is the lack of an accurate functional for the Kohn–Sham non-interacting kinetic energy, which, in addition to its accuracy, must also render a good approximation ...
Luis Rincón   +3 more
doaj   +1 more source

Evaluación teórica de las propiedades electrónicas y estructurales que afectan a la conductividad eléctrica en copolímeros de furano-tiofeno

open access: yesRevista Colombiana de Química, 2019
Desde el punto de vista científico y tecnológico ha habido un gran interés en el uso de monosustituyentes de furano y tiofeno como polímeros conductores, debido a sus múltiples aplicaciones como OLED, amplificadores ópticos, nanotecnología, entre otros ...
Jorge Luis Anaya Gil   +4 more
doaj   +1 more source

A Theoretical Study on the Structural, Electronic, and Magnetic Properties of Bimetallic Pt13−nNin (N = 0, 3, 6, 9, 13) Nanoclusters to Unveil the Catalytic Mechanisms for the Water-Gas Shift Reaction

open access: yesFrontiers in Chemistry, 2022
In this work, first-principles calculations by using density functional theory at the GFN-xTB level, are performed to investigate the relative stability and structural, electronic, and magnetic properties of bimetallic Pt13−nNin (n = 0, 3, 6, 9, 13 ...
Manoel Victor Frutuoso Barrionuevo   +3 more
doaj   +1 more source

Defects in the supersymmetric mKdV hierarchy via Bäcklund transformations

open access: yesJournal of High Energy Physics, 2018
The integrability of the N=1 $$ \mathcal{N}=1 $$ supersymmetric modified Korteweg de-Vries (smKdV) hierarchy in the presence of defects is investigated through the construction of its super Bäcklund transformation. The construction of such transformation
A.R. Aguirre   +4 more
doaj   +1 more source

Thermoelectric properties through a wire composed of isoprene molecules

open access: yesAIP Advances, 2020
In this work, we study the electrical and thermoelectric properties through carbon bonds acting as nanowires derived from linear unsaturated organic molecules with a π conjugated system composed of isoprene molecules (NWIM) linked to leads.
Miguel Andrés Rivera Mateus   +2 more
doaj   +1 more source

GSK3α: An Important Paralog in Neurodegenerative Disorders and Cancer

open access: yesBiomolecules, 2020
The biological activity of the enzyme glycogen synthase kinase-3 (GSK3) is fulfilled by two paralogs named GSK3α and GSK3β, which possess both redundancy and specific functions.
Octavio Silva-García   +4 more
doaj   +1 more source

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