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Article(12)
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Journal of Solution Chemistry(4)
Journal of Theoretical Biology(3)
Current Bioinformatics(1)
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Journal of Chemical Thermodynamics(1)
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Bioquímica(5)
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Experimental 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:googlescopusExperimental 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:googlescopusIntegration of algebra and chemistry concepts with molecular descriptors: A problem-basedlearning exercise
ArticleAbstract: A problem-based learning experience integrating mathematical concepts of linear and abstract algebraPalabras claves:Abstract and linear algebra, chemoinformatics, Multidisciplinary, Problem-based-learningAutores:Cubillan N., González A.I., Yovani Marrero-PonceFuentes:googlescopusLEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: Theory and validation by QSARs
ArticleAbstract: Novel 3D protein descriptors based on bilinear, quadratic and linear algebraic maps in Rn are proposPalabras claves:3D-protein descriptor, aggregation operator, Amino acid interaction, folding rate, Machine learning, METRICS, Normalization procedure, Protein structural classes, Two-linear algebraic formsAutores:César R. García-Jacas, Cubillan N., Ernesto Contreras-Torres, Julio E. Terán, Pérez-Giménez F., Valdés-Martiní J.R., Yovani Marrero-Ponce, Yunierkis Perez-CastilloFuentes:scopusOptimum search strategies or novel 3D molecular descriptors: Is there a stalemate?
ArticleAbstract: The present manuscript describes a novel 3D-QSAR alignment free method (QuBiLS-MIDAS Duplex) based oPalabras claves:3D-QSAR, aggregation operator, Alignment free method, Minkowski distance matrix, Principal Component Analysis, QuBiLS-MIDAS, ToMoCoMD-CARDD, Two-tuple spatial-(dis)similarity matrix, Variability analysisAutores:Alvarado Y.J., César R. García-Jacas, Cubillan N., Pino-Urias R.W., Rivera-Borroto O.M., Stephen Jones Barigye, Thu H.L.T., Valdés-Martiní J.R., Yovani Marrero-PonceFuentes:scopusThermodynamics 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:googlescopusSolubility 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:scopusSynthesis, crystal structure, and non-covalent interactions in 4-hydrazinobenzoic acid hydrochloride
ArticleAbstract: The compound 4-hydrazinobenzoic acid hydrochloride (4-HBA), C7H9O2·Cl, has been synthesized and charPalabras claves:Crystal structure, non-covalent interactions, Phenylhydrazine hydrochloride, SynthesisAutores:Boscan-Melean K., Cubillan N., Glidewell C., Luis E. Seijas, Morales-Toyo M., Restrepo J.Fuentes:scopusNovel 3D bio-macromolecular bilinear descriptors for protein science: Predicting 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:scopusNovel global and local 3D atom-based linear descriptors of the Minkowski distance matrix: theory, diversity–variability analysis and QSPR applications
ArticleAbstract: A new family of alignment-free 3D descriptors based on TOMOCOMD-CARDD framework has been designed, nPalabras claves:3D-linear index, QSPR study, ToMoCoMD-CARDD, Variability analysisAutores:Alvarado Y.J., Ariza-Rico H., César R. García-Jacas, Cubillan N., Stephen Jones Barigye, Valdés-Martiní J.R., Yovani Marrero-PonceFuentes:scopus