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A topological study of the decomposition of 6, 7, 8-trioxabicyclo[3.2.2] nonane induced by FE(II): modeling the artemisinin reaction with heme
ArticleAbstract: We report a theoretical study on the electronic and topological aspects of the reaction of dihydratePalabras claves:Autores:Ángel Sánchez-González, Moles P., Oliva M., Safont V.S.Fuentes:scopusAdduct formed by chromium trioxide and zwitterionic quinolinic acid
ArticleAbstract: Chromium trioxide forms an adduct with zwitterionic quinolinic acid. The structure of the product waPalabras claves:AIM, Aromaticity, Chromium trioxide complexes electronic properties, ELFAutores:Ángel Sánchez-González, Hase T.A., Kaltia S.A.A., Matikainen J.K.T., Sillanpää R.J., Sundberg M.R., Uggla R.A.M., Zborowski K.K.Fuentes:scopusFrom groove binding to intercalation: Unravelling the weak interactions and other factors modulating the modes of interaction between methylated phenanthroline-based drugs and duplex DNA
ArticleAbstract: Several antitumor drugs base their cytotoxicity on their capacity to intercalate between base pairsPalabras claves:Autores:Ángel Sánchez-González, Castro T.G., Gil A., Melle-Franco M.Fuentes:scopusInfluence of conventional hydrogen bonds in the intercalation of phenanthroline derivatives with DNA: The important role of the sugar and phosphate backbone
ArticleAbstract: The influence of hydrogen bonds in model intercalated systems between guanine-cytosine and adenine-tPalabras claves:DFT-D, DNA, phenanthroline derivatives, PM6-DH2, Weak interactionsAutores:Ángel Sánchez-González, Gil A., Grenut P.Fuentes:scopusElucidating the intercalation of methylated 1,10-phenanthroline with DNA: The important weight of the CH/H interactions and the selectivity of CH/π and CH/n interactions
ArticleAbstract: Flat molecules like phenanthroline derivatives intercalate between base pairs of deoxyribonucleic acPalabras claves:Autores:Ángel Sánchez-González, Gil A.Fuentes:scopusRelationship between structure and cytotoxicity of vanadium and molybdenum complexes with pyridoxal derived ligands
ArticleAbstract: In this work four vanadium complexes (compounds 1, 2, 3 and 4) and one molybdenum complex (compoundPalabras claves:A549 cell line, Cytotoxicity, Intercalator, stability, Vanadium, Zebrafish modelAutores:Ángel Sánchez-González, Avecilla F., Díaz-Prado M.L., Fernández M.R., Fernández-Bertólez N., Gil A., Mato-López L., Méndez J., Sar-Rañó A., Valdiglesias V.Fuentes:scopusMechanistic Insights into Promoted Hydrolysis of Phosphoester Bonds by MoO<inf>2</inf>Cl<inf>2</inf>(DMF)<inf>2</inf>
ArticleAbstract: A phosphoester bond is a crucial structural block in biological systems, whose occurrence is regulatPalabras claves:Autores:Ángel Sánchez-González, Bandeira N.A.G., Gil A., Lanuza J., Lopez X.Fuentes:scopusProbing the Catalytically Active Species in POM-Catalysed DNA-Model Hydrolysis**
ArticleAbstract: Phosphoester hydrolysis is an important chemical step in DNA repair. One archetypal molecular modelPalabras claves:artificial phophoesterases, DFT, DNA, phosphoester hydrolysis, polyoxometalateAutores:Ángel Sánchez-González, Bandeira N.A.G., Gil A., Lanuza J., Lopez X., Martins F.F., Miras H.N.Fuentes:scopusNew insights on the interaction of phenanthroline based ligands and metal complexes and polyoxometalates with duplex dna and g-quadruplexes
ReviewAbstract: This work provides new insights from our team regarding advances in targeting canonical and non-canoPalabras claves:Artificial phosphoesterases, DNA, G-quadruplexes, intercalation, LS-DFT, Mo-oxo species, phenanthroline derivatives, Phosphoester hydrolysis catalysis, Polyoxometalates, Weak interactionsAutores:Ángel Sánchez-González, Bandeira N.A.G., Calhorda M.J., de Luzuriaga I.O., Elleuchi S., Gil A., Jarraya K., Lanuza J., Lopez X., Martins F.F.Fuentes:scopusThe role of weak interactions in lignin polymerization
ArticleAbstract: Lignin is the most abundant natural polymer composed by aromatic moieties. Its chemical compositionPalabras claves:density functional theory, Lignin polymerization, Monolignols, QTAIMAutores:á. Sanchez González, Ángel Sánchez-González, Dobado J.A., Martín-Martínez F.J.Fuentes:rraaescopus