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Biointerface Research in Applied Chemistry(2)
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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:scopusNonlinear 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:googlescopusVolume-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: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:googlescopusThermodynamics 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:googlescopusThermodynamics of solution, interaction with calf thymus DNA and anticancer activity of phenylhydrazone derivatives
ArticleAbstract: The solubilities in water (W) and in 3 mol·L-1 aqueous acetonitrile at 298.15 K of thiophene-2-, furPalabras claves:Antineoplasic activity, DNA binding, Phenylhydrazone derivatives, SOLUBILITY, SPTAutores:Alvarado Y.J., Baricelli J., Caldera-Luzardo J., Cubillan N., Ferrer-Amado G., Joan R. Vera V., Joan Vera-Villalobos, Mancilla V., Morales-Toyo M., Ojeda-Andara J., Rocafull M.A., Thomas L.E., Yovani Marrero-PonceFuentes:googlescopus