0000000001312320
AUTHOR
Ana M. Rodríguez
showing 6 related works from this author
1,2-Dipolar addition model for the cytoprotective activity of selected α,β-unsaturated compounds with CO functionality: an ab initio study
2001
Abstract The mechanism of the addition of a nucleophile (an alkylthiol group) to a double bond of α,β-unsaturated systems in the gas phase was explored. In this study, intermediates of the reaction were also investigated using ab initio calculations (RHF/6-31G ∗ and MP2/6-31+G ∗ ). Our results indicate that direct dipolar attack of the S–H group of an alkylthiol on the CC double bond is a reasonable reaction path. The present results represent, therefore, additional support for our hypothesis. This suggests that the mechanism of cytoprotection might be mediated, at least in part, by a reaction between the olefinic acceptor and the sulfhydryl-containing groups of the mucosa.
Strong Influence of the Ancillary Ligand over the Photodynamic Anticancer Properties of Neutral Biscyclometalated IrIII Complexes Bearing 2-Benzoazol…
2018
In this paper, the synthesis, comprehensive characterization and biological and photocatalytic properties of two series of neutral IrIII biscyclometalated complexes of general formula [Ir(C^N)2(N^O)], where the N^O ligands are 2‐(benzimidazolyl)phenolate‐N,O (L1, series a) and 2‐(benzothiazolyl)phenolate‐N,O (L2, series b), and the C^N ligands are 2‐(phenyl)pyridinate or its derivatives, are described,. Complexes of types a and b exhibit dissimilar photophysical and biological properties. In vitro cytotoxicity tests conclusively prove that derivatives of series a are harmless in the dark against SW480 cancer cells (colon adenocarcinoma), but express enhanced cytotoxicity versus the same cel…
Highly Stable and Efficient Light-Emitting Electrochemical Cells Based on Cationic Iridium Complexes Bearing Arylazole Ancillary Ligands.
2017
A series of bis-cyclometalated iridium(III) complexes of general formula [Ir(ppy)2(N∧N)][PF6] (ppy− = 2-phenylpyridinate; N∧N = 2-(1H-imidazol-2-yl)pyridine (1), 2-(2-pyridyl)benzimidazole (2), 1-methyl-2-pyridin-2-yl- 1H-benzimidazole (3), 2-(4′-thiazolyl)benzimidazole (4), 1- methyl-2-(4′-thiazolyl)benzimidazole (5)) is reported, and their use as electroluminescent materials in light-emitting electrochemical cell (LEC) devices is investigated. [2][PF6] and [3][PF6] are orange emitters with intense unstructured emission around 590 nm in acetonitrile solution. [1][PF6], [4][PF6], and [5][PF6] are green weak emitters with structured emission bands peaking around 500 nm. The different photoph…
CCDC 1857871: Experimental Crystal Structure Determination
2018
Related Article: Marta Martínez-Alonso, Natalia Busto, Larry Danilo Aguirre, Leticia Berlanga, M. Carmen Carrión, José V. Cuevas, Ana M. Rodríguez, Arancha Carbayo, Blanca R. Manzano, Enrique Ortí, Félix A. Jalón, Begoña García, Gustavo Espino|2018|Chem.-Eur.J.|24|17523|doi:10.1002/chem.201803784
CCDC 1519073: Experimental Crystal Structure Determination
2017
Related Article: Marta Martínez-Alonso, Jesús Cerdá, Cristina Momblona, Antonio Pertegás, José M. Junquera-Hernández, Aránzazu Heras, Ana M. Rodríguez, Gustavo Espino, Henk Bolink, and Enrique Ortí|2017|Inorg.Chem.|56|10298|doi:10.1021/acs.inorgchem.7b01167
CCDC 1519074: Experimental Crystal Structure Determination
2017
Related Article: Marta Martínez-Alonso, Jesús Cerdá, Cristina Momblona, Antonio Pertegás, José M. Junquera-Hernández, Aránzazu Heras, Ana M. Rodríguez, Gustavo Espino, Henk Bolink, and Enrique Ortí|2017|Inorg.Chem.|56|10298|doi:10.1021/acs.inorgchem.7b01167