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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: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: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:googlescopusNovel 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: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: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:scopus