Persona: Nieto Gómez, Carla Isabel
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Nieto Gómez
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Publicación Curcumin Related 1,4-Diazepines: Regioselective Synthesis, Structure Analysis, Tautomerism, NMR Spectroscopy, X-ray Crystallography, Density Functional Theory and GIAO Calculations(Wiley, 2017-05-02) Andrade, Ana; Claramunt, Rosa María; Torralba, M. Carmen; Torres, M. Rosario; Alkorta, Ibon; Elguero, J.; Nieto Gómez, Carla Isabel; Sanz del Castillo, DionisiaThe reaction of 1,2-ethylenediamine with seven fluorinated β-diketones affords two different 1,4-diazepine series depending on the experimental conditions. Their structures as well as tautomerism have been established by 1H, 13C, 15N and 19F nuclear magnetic resonance in solution supported by density functional theory calculations at the B3LYP/6-311++G(d,p) level. The two compounds obtained from (E)-5-(2-fluoro-4-hydroxyphenyl)-1-phenylpent-4-ene-1,3-dione were analyzed by X-ray crystallography and studied by solid-state NMR.Publicación A multinuclear magnetic resonance study of fluoro derivatives of hydroxybenzaldehydes(2015-06-06) Claramunt, Rosa María; Alkorta, Ibon; Elguero, J.; Sanz del Castillo, Dionisia; Nieto Gómez, Carla IsabelPublicación Synthesis, structure and biological activity of 3(5)-trifluoromethyl-1H-pyrazoles derived from hemicurcuminoids(Elsevier, 2015-11-14) Cabildo Miranda, Mª del Pilar; Cornago, María del Pilar; Sanz, D.; Claramunt, R. M.; Alkorta, Ibon; Elguero, J.; Garcia, J. A.; Acuña Castroviejo, Darío; Nieto Gómez, Carla Isabel; López Peláez, AntonioSix new 3(5)-trifluoromethyl-5(3)-substituted-styryl-1H-pyrazoles have been synthesized and their tautomerism studied in solution and in the solid state. The determination of their structures has been based on multinuclear NMR spectroscopy together with GIAO/B3LYP/6–311++G(d,p) theoretical calculations of eight structures for each pyrazole (two tautomers and four conformations). Five out of the six compounds present inhibition percentages of the iNOS isoform higher than 50%. With regard to the nNOS inhibitory activity, only two of the studied compounds show an inhibition of about 50%. Finally, concerning the eNOS, there is a compound presenting a low percentage of inhibition (40.2%) attaining in the other cases 50%.