Mostrando 10 resultados de: 11
Filtros aplicados
Subtipo de publicación
Article(11)
Publisher
Journal of Solution Chemistry(3)
Biointerface Research in Applied Chemistry(2)
Chemical Physics Letters(1)
Computational and Theoretical Chemistry(1)
Journal of Chemical Thermodynamics(1)
Área temáticas
Bioquímica(4)
Química orgánica(4)
Fisiología humana(2)
Química analítica(2)
Química inorgánica(2)
Conformational change of ovalbumin induced by surface cavity binding of N-phthaloyl gamma-aminobutyric acid derivative: A study theoretical and experimental
ArticleAbstract: In this work is reported the study of the interaction between ovalbumin protein (OVA) and N-PhthaloyPalabras claves:Binding Studies, Molecular dynamic, Molecular Modeling Docking, Ovalbumin, Spectroscopic StudyAutores:Alvarado Y.J., González-Paz L.A., Joan Vera-Villalobos, José Luis Paz, Luis S. Moncayo, Mendez A., Restrepo J., Rodríguez-Lugo P., Romero F., Vera-Parra E.Fuentes:scopusExperimental and theoretical determination of the limiting partial molar volume of indole in CCl<inf>4</inf>, Tetrahydrofuran and acetonitrile at 293.15 k: A comparative study with benzimidazole and benzothiophene
ArticleAbstract: The partial molar volumes of indole(Ind) at infinite dilution (V 2∞) in carbon tetrachloride (CCl4),Palabras claves:Apparent molecular volume, DFT-B3LYP, SCRF, SPT and indoleAutores:Alvarado Y.J., Arrieta F., Chacín-Molero E., Cubillan N., Ferrer-Amado G., Hernández-Labarca P., Ojeda-Andara J., Velazco W., 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:googlescopusNovel 3D bio-macromolecular bilinear descriptors for protein science: Pbkp_redicting protein structural classes
ArticleAbstract: In the present study, we introduce novel 3D protein descriptors based on the bilinear algebraic formPalabras claves:3D protein descriptor, Bilinear form, Coulombic matrix, Lda, Protein structural classesAutores:Alvarado Y.J., César R. García-Jacas, Cubillan N., Ernesto Contreras-Torres, Stephen Jones Barigye, Yovani Marrero-PonceFuentes:scopusVolume-related properties of thiophene and furan-2-carboxaldehyde phenylhydrazone derivatives in DMSO: A discussion about non-intrinsic contribution
ArticleAbstract: An analysis of the experimental and theoretical non-intrinsic contribution to the limiting partial mPalabras claves:Densitometry, Limiting partial molar volume, Non-intrinsic contribution, Refractometry, Scaled-particle theory, Specific and non-specific interactionsAutores:Alvarado Y.J., Ballestas-Barrientos A., Cubillan N., Ferrebuz A., Ferrer-Amado G., Infante M., Joan Vera-Villalobos, Restrepo J., Rodríguez-Lugo P.Fuentes:scopusVolumetric, electric, and magnetic properties of thioxanthen-9-one in aprotic solvents as revealed by high-precision densitometry, high-accuracy refractometry and magnetic susceptibility measurements and by DFT calculations
ArticleAbstract: High-precision densitometry measurements of solutions of thioxanten-9-one (TX) in 1,4-dioxane, DMSO,Palabras claves:Electronic polarizability, Intermolecular forces, Magnetic susceptibility, Partial molar expansibility, Partial molar volume, Scale particle theory, Thioxanten-9-oneAutores:Alvarado Y.J., Caldera-Luzardo J., De La Cruz C., Ferrer-Amado G., Michelena E., Pedro SilvaFuentes:scopusReaction 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:scopusSolvent randomness and intramolecular considerations of optical responses in four-wave mixing
ArticleAbstract: We determined the optical profiles of a molecular system coupled with a thermal bath in presence ofPalabras claves:Cumulant expansions, intramolecular, optical responses, 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., Patricio Javier Espinoza-MonteroFuentes:googlescopusStochastic optical Bloch equations in complex system with vibronic coupling: Use of Novikov's theorem
ArticleAbstract: We analyze the statistical averages over a set of realizations of the random variable in the StochasPalabras claves:Autores:Alvarado Y.J., Cesar Costa-Vera, Eleana Ruiz-Hinojosa, Fernando Moncada, José Luis Paz, Lenys Fernández, Luis Lascano, Patricio Javier Espinoza-MonteroFuentes:scopusThermodynamics and Conformational Dynamics of Primer Nucleotide Sequences Associated with Monkeypox Virus (MpxV): Comparative Analysis of Stability and Specificity with a Biophysical-Computational Approach
ArticleAbstract: COVID-19 pandemic has shown the need to detect new pathogens quickly. Currently, attention has beenPalabras claves:molecular dynamics, OPG, orthopoxviruses, primers, SWAXS curveAutores:Alvarado Y.J., David Santiago Coll, González-Paz L.A., Hurtado-León M.L., Jeffreys L.N., Joan Vera-Villalobos, José Luis Paz, Lossada C.A., Yovani Marrero-PonceFuentes:googlescopus