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Journal of Solution Chemistry(2)
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Chemometric and chemoinformatic analyses of anabolic and androgenic activities of testosterone and dihydrotestosterone analogues
ArticleAbstract: Pbkp_redictive quantitative structure-activity relationship (QSAR) models of anabolic and androgenicPalabras claves:Anabolic and androgenic activities, Genetic Algorithm, QSAR model, Quantum and physicochemical molecular descriptor, Testosterone and dihydrotestosterone steroid analoguesAutores:Alvarado Y.J., Alvarez-Ginarte Y.M., Caldera-Luzardo J., Crespo-Otero R., García-De La Vega J.M., Montero-Cabrera L.A., Noheda-Marin P., Ruíz-García J.A., Yovani Marrero-PonceFuentes:googlescopusBond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals
ArticleAbstract: The concept of atom-based quadratic indices is extended to a series of molecular descriptors (MDs) (Palabras claves:2-furylethylene, Alkyl-alcohol, edge-adjacency matrix, Non-Stochastic and Stochastic Bond-Based Quadratic Indices, octane isomers, Physicochemical property, QSPR model, QSPR study, Stochastic matrix, ToMoCoMD-CARDD softwareAutores:Alvarado Y.J., Rotondo R., Torrens F., Yovani Marrero-PonceFuentes:googlescopusA kinetic model for the equilibrium dynamics of absorption and scattering processes in four-wave mixing spectroscopy
ArticleAbstract: We construct a kinetic model, analogous to a simple chemical reaction, to describe the spatial propaPalabras claves:Autores:Alvarado Y.J., Fernando Javier Torres, González-Paz L.A., José Luis Paz, Jose R. Mora, Loroño M.A., Marquez E.A., Mujica V.Fuentes:scopusExperimental determination of the electronic polarizability of quinoline and isoquinoline in solution by three new strategies
ArticleAbstract: The values of electronic polarizability of quinoline and isoquinoline in extremely diluted liquid soPalabras claves:Dipole polarizability, Kramers-Krönig relations, quinoline, Refractometric methodAutores:Alvarado Y.J., Cubillan N., Labarca P., Leal M., María Gabriela Leal Reverol, Michelena E., Yovani Marrero-PonceFuentes:googlescopusNonlinear optical responses of molecular systems with vibronic coupling in fluctuating environments
ArticleAbstract: The topological profiles of the nonlinear optical properties of a two-level molecular system involviPalabras claves:four-wave mixing, Nonlinear optical properties, stochastic, vibronicAutores:Alvarado Y.J., González-Paz L.A., Joan R. Vera V., Joan Vera-Villalobos, José Luis Paz, Jose R. Mora, Loroño M.A., Marquez E.A.Fuentes:googlescopusReaction mechanism of the gas-phase pyrolysis of N – Acetylthiourea and N, N’–diacetylthiourea: A theoretical study based in density functional theory
ArticleAbstract: In the present study, we propose a reaction mechanism for the decomposition of N -Acetylthiourea andPalabras claves:Independent Gradient Model, non-covalent interactions, Theoretical calculation, Wiberg bond indexAutores:Alvarado Y.J., Córdova-Sintjago T.C., González-Paz L.A., Joan Vera-Villalobos, Jose R. Mora, Loroño G. M.A., Luis Paz J., Marquez E.A., Mendoza I.Fuentes:scopusSolubility of thiophene-, furan- and pyrrole-2-carboxaldehyde phenylhydrazone derivatives in 2.82 mol̇L <sup>-1</sup> aqueous DMSO at 298.15 K, inhibition of lymphoproliferation and tubulin polymerization: A study based on the scaled particle theory
ArticleAbstract: In this work, the solubilities of nine phenylhydrazone derivatives in water and in 2.82 mol ̇ L -1 aPalabras claves:Lymphoproliferation, Phenylhydrazone derivatives, SOLUBILITY, SPT, Tubulin polimerizationAutores:Alvarado Y.J., Álvarez-Mon M., Baricelli J., Caldera-Luzardo J., Cubillan N., Ferrer-Amado G., Hassanhi M., Mancilla V., Ojeda-Andara J., Rocafull M.A., San Antonio-Sánchez M.E., Thomas L.E., Yovani Marrero-PonceFuentes:scopusSurface Behavior of BSA/Water/Carbohydrate Systems from Molecular Polarizability Measurements
ArticleAbstract: The effect of the presence of glucose and sucrose on the nonintrinsic contribution to partial molarPalabras claves:Autores:Alvarado Y.J., Fernández-Acuña J., Ferrebuz A., José Luis Paz, Restrepo J., Rodríguez-Lugo P., Romero F., Toro-Mendoza J., Williams Y.Fuentes:scopusSynthesis, crystal structure analysis, small cluster geometries and energy study of (E)-Ethyl-4-(2-(thiofen-2-ylmethylene)hydrazinyl)benzoate
ArticleAbstract: Derivatives hydrazone are attributed interesting pharmacological properties. The compound under studPalabras claves:Crystal structure, Hydrazone, Hydrogen bonds, Semiempirical calculationsAutores:Alvarado Y.J., Atencio R., Bruno-Colmenarez J., Luis E. Seijas, Morales-Toyo M., Restrepo J.Fuentes:scopus