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 Libration of phenyl groups detected by VT-SSNMR: Comparison with X-ray crystallography(Wiley, 2018-05-28) Nieto Gómez, Carla Isabel; Cabildo, Pilar; García, María Ángeles; Claramunt, Rosa María; José Elguero; Alkorta, IbonThe X‐ray crystal structure of 2‐benzyl‐1H‐benzimidazole, 2BnBzIm, was determined at 293 K showing no dynamic phenomena (disorder) of any class. On the other hand, some 13 C NMR signals were absent in the CPMAS spectrum (100 MHz, 300 K). We decided to carry out variable‐temperature SSNMR and discovered that the missing signals are ortho and meta carbons of the phe- nyl ring of the benzyl group. Line‐shape analysis and the Eyring equation were used to determine the barrier, which was compared with the calculated DFT for the gas phase that it is much lower.Publicación Effects of Curcuminoid Pyrazoles on Cancer Cells and on the Expression of Telomerase Related Genes(Wiley, 2016-07) Martí Centelles, Rosa; Falomir Ventura, Eva; Carda, Miguel; Cornago, María del Pilar; Claramunt, Rosa María; Nieto Gómez, Carla IsabelA group of 13 curcuminoid pyrazoles was investigated for their cytotoxicity on three tumoral cell lines (HT-29, MCF-7, and HeLa) and one non-tumoral human cell line (HEK-293). The values obtained were compared with those of curcumin. A subset of selected derivatives was also studied for their ability to downregulate expression of the hTERT and c-Myc genes, which are both involved in telomerase activity.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 Molecular structure in the solid state by X-ray crystallography and SSNMR and in solution by NMR of two 1,4-diazepines(Elsevier, 2017-10-23) Nieto Gómez, Carla Isabel; Sanz del Castillo, Dionisia; Claramunt, Rosa María; Torralba, María Carmen; Torres, M. Rosario; Alkorta, Ibon; Elguero, JoséThe crystals of two 1,4-diazepines prepared from curcuminoid β-diketones and ethylenediamine were studied by X-ray crystallography and NMR. Their tautomerism, intramolecular hydrogen bonds and conformation were determinedPublicación Evaluation of the antioxidant and neuroprotectant activities of new asymmetrical 1,3-diketones(MDPI, 2018-07-24) Nieto Gómez, Carla Isabel; Comago, María del Pilar; Cabildo, María del Pilar; Sanz del Castillo, Dionisia; Claramunt, Rosa María; Torralba, María Carmen; Torres, María Rosario; Martínez Casanova, Diana; Sánchez Alegre, Yaiza Rebeca; Escudero, Esther; Lavandera, José LuisA series of fourteen new asymmetrical 1,3-diketone derivatives have been synthesized and evaluated in the ABTS, FRAP and DPPH assays as a new chemotype with antioxidant and drug-like properties. All the compounds displayed low cytotoxicity in comparison to curcumin against the human neuroblastoma SH-SY5Y cell line. Among them, (3Z,5E)-6-(2,5-difluoro-4-hydroxy-phenyl)-1,1,1-trifluoro-4-hydroxyhexa-3,5-dien-2-one (6b) and (3Z,5E)-6-(2,3-difluoro-4-hydroxy-phenyl)-1,1,1-trifluoro-4-hydroxyhexa-3,5-dien-2-one (7b) with excellent solubility and chemical stability in biorelevant media, have also shown a similar Fe+2 chelation behavior to that of curcumin. Additionally, both derivatives 6b and 7b have afforded good neuroprotection activity against H2O2 induced oxidative stress in the same neuronal cell line, with a significant reduction of intracellular ROS levels, in parallel with a good recovery of the Mitochondrial Membrane Potential (ΔΨm). Compounds 6b and 7b with a promising antioxidant and drug-like profile, with low cytotoxic and good neuroprotectant activity, constitute a new interesting chemical class with high potential as new therapeutic agents against neurodegenerative diseases.