Now showing items 163-182 of 379

    • Iridium(I)-Catalyzed Intramolecular Hydrocarbonation of Alkenes: Efficient Access to Cyclic Systems Bearing Quaternary Stereocenters 

      Fernández Fernández, David; Gulías Costa, Moisés; Mascareñas Cid, José Luis; López García, Fernando (Wiley, 2017-07-12)
      A catalytic, versatile and atom-economical C−H functionalization process that provides a wide variety of cyclic systems featuring methyl-substituted quaternary stereocenters is described. The method relies on the use of a ...
    • Irreversible covalent modification of type I dehydroquinase with a stable Schiff base 

      Tizón, Lorena; Maneiro Rey, María; Peón López, Antonio; Otero Casas, José Manuel; Lence Quintana, Emilio José; Poza, Sergio; Raaij, Mark J. van; Thompson, Paul; Hawkins, Alastair R.; González Bello, Concepción (Royal Society of Chemistry, 2015)
      The irreversible inhibition of type I dehydroquinase (DHQ1), the third enzyme of the shikimic acid pathway, is investigated by structural, biochemical and computational studies. Two epoxides, which are mimetics of the ...
    • Iterative catalyst controlled diastereodivergent synthesis of polypropionates 

      Roke, Diedrik; Fañanás Mastral, Martín; Feringa, Ben L. (Royal Society of Chemistry, 2016-11-01)
      Polypropionate fragments are synthesized using a combination of a copper-catalyzed asymmetric allylic alkylation, ruthenium-catalyzed cross-metathesis and iridium-catalyzed asymmetric allylic etherification. The use of an ...
    • Kinetic Isotope Effects in Multipath VTST: Application to a Hydrogen Abstraction Reaction 

      Simón-Carballido, Luis; Alves, Tiago Vinicius; Dybala-Defratyka, Agnieszka; Fernández-Ramos, Antonio (American Chemical Society, 2016)
      In this work we apply multipath canonical variational transition state theory with small-tunneling corrections (MP-CVT/SCT) to the hydrogen abstraction reaction from ethanol by atomic hydrogen in aqueous solution at room ...
    • Kinetic Resolution of Allyltriflamides through a Pd-Catalyzed C–H Functionalization with Allenes: Asymmetric Assembly of Tetrahydropyridines 

      González González, José Manuel; Cendón Mariño, Borja; Mascareñas Cid, José Luis; Gulías Costa, Moisés (American Chemical Society, 2021)
      Enantioenriched, six-membered azacycles are essential structural motifs in many products of pharmaceutical or agrochemical interest. Here we report a simple and practical method for enantioselective assembly of ...
    • Kinetics of the Methanol Reaction with OH at Interstellar, Atmospheric, and Combustion Temperatures 

      Gao, Lu Gem; Zheng, Jingjing; Fernández-Ramos, Antonio; Truhlar, Donald G.; Xu, Xuefei (American Chemical Society, 2018-01-04)
      The OH radical is the most important radical in combustion and in the atmosphere, and methanol is a fuel and antifreeze additive, model biofuel, and trace atmospheric constituent. These reagents are also present in ...
    • Lanthanide-based peptide biosensor to monitor CDK4/cyclin D kinase activity 

      González-Vera, Juan A.; Bouzada, David; Bouclier, Céline; Vázquez Sentís, Marco Eugenio; Morris, May C. (Royal Society of Chemistry, 2017)
      We describe a lanthanide biosensor that responds to CDK4 kinase activity in melanoma cell extracts through a significant and dose dependent increase in luminescence, thanks to sensitization of a DOTA[Tb3+] complex incorporated ...
    • Light-Controlled Cellular Internalization and Cytotoxicity of Nucleic Acid-Binding Agents: Studies in Vitro and in Zebrafish Embryos 

      Penas Tallón, Cristina; Sánchez López, Mateo Isidro; Guerra Varela, Jorge; Sánchez Piñón, Laura; Vázquez Sentís, Marco Eugenio; Mascareñas Cid, José Luis (Wiley, 2016)
      We synthesized octa‐arginine conjugates of DNA‐binding agents (bisbenzamidine, acridine and Thiazole Orange) and demonstrated that their DNA binding and cell internalization can be inhibited by appending a (negatively ...
    • Linseed oil as a model system for surface enhanced Raman spectroscopy detection of degradation products in artworks 

      Gómez, Manuel; Reggio, Daniela; Lazzari, Massimo (Wiley, 2019)
      Early evidence of materials decay can provide diagnostic insights to conservators and scientists enhancing the overall knowledge on art materials. Limited knowledge is available on the long‐term behavior of synthetic and ...
    • LN-1-255, a penicillanic acid sulfone able to inhibit the class D carbapenemase OXA-48 

      Vallejo Vidal, Juan Andrés; Martínez Guitián, Marta; Vázquez Ucha, Juan Carlos; González Bello, Concepción; Poza, Margarita; Buynak, John; Bethel, Christopher R.; Bonomo, Roberto A.; Bou, Germán; Beceiro Casas, Alejandro (Oxford University Press, 2016-04-28)
      Objectives Carbapenemases are the most important mechanism responsible for carbapenem resistance in Enterobacteriaceae. Among carbapenemases, OXA-48 presents unique challenges as it is resistant to β-lactam inhibitors. ...
    • Low-temperature spin excitations in frustrated ZnCr2O4 probed by high-field thermal conductivity 

      Zhou, Haidong; Zhao, Z. Y.; Sun, X. F.; Nieto Suárez, Marina; Rivas Murias, Beatriz; Tsurkan, Vladimir; Deisenhofer, Joachim; Zapf, Vivien; Rivadulla, Francisco (APS Physics, 2013)
      The magnetoelastic excitations of spin frustrated ZnCr2O4 are studied by the magnetic field dependence of the thermal conductivity k down to 50 mK. Above the first-order magnetostructural transition at TN,S≈ 12.5 K, spin ...
    • Magnetic Field Induced Transition in Vanadium Spinels 

      Mun, E.D.; Chern, Gia-Wei; Pardo, Victor; Rivadulla, Francisco; Sinclair, R.; Zhou, Haidong; Zapf, Vivien; Batista, Cristian D. (2014)
      We study vanadium spinels AV2O4 (A=Cd,Mg) in pulsed magnetic fields up to 65 T. A jump in magnetization at μ0H≈40 T is observed in the single-crystal MgV2O4, indicating a field induced quantum phase transition between ...
    • Magnetically Recyclable Catalytic Carbon Nanoreactors 

      Aygün, Mehtap; Chamberlain, Thomas W.; Giménez López, María del Carmen; Khlobystov, Andrei N. (Wiley, 2018-07-11)
      Multifunctional nanoreactors are assembled using hollow graphitized carbon nanofibers (GNFs) combined with nanocatalysts (Pd or Pt) and magnetic nanoparticles. The latter are introduced in the form of carbon‐coated cobalt ...
    • Mapping a protein recognition centre with chiral photoactive ligands. An integrated approach combining photophysics, reactivity, proteomics and molecular dynamics simulation studies 

      Limones Herrero, Daniel; Pérez Ruiz, Raúl; Lence Quintana, Emilio José; González Bello, Concepción; Miranda, Miguel A.; Jiménez, Consuelo M. (Royal Society of Chemistry, 2017-01-05)
      A multidisciplinary strategy to obtain structural information on the intraprotein region is described here. As probe ligands, (S)- and (R)-CPFMe (the methyl esters of the chiral drug carprofen) have been selected, while ...
    • Mechanistic Basis of the Inhibition of Type II Dehydroquinase by (2S)- and (2R)-2-Benzyl-3-dehydroquinic Acids 

      Lence Quintana, Emilio José; Tizón, Lorena; Otero Casas, José Manuel; Peón López, Antonio; Prazeres, Verónica F. V.; Llamas Saiz, Antonio Luis; Fox, Gavin V.; Raaij, Mark J. van; Lamb, Heather; Hawkins, Alastair R.; González Bello, Concepción (American Chemical Society, 2013)
      The structural changes caused by the substitution of the aromatic moiety in (2S)-2-benzyl-3-dehydroquinic acids and its epimers in C2 by electron-withdrawing or electron-donating groups in type II dehydroquinase enzyme ...
    • Mechanistic insight into the reaction catalysed by bacterial type II dehydroquinases 

      Coderch, Claire; Lence Quintana, Emilio José; Peón López, Antonio; Lamb, Heather; Hawkins, Alastair R.; Gago, Federico; González Bello, Concepción (Portland Press, 2014-03-15)
      DHQ2 (type II dehydroquinase), which is an essential enzyme in Helicobacter pylori and Mycobacterium tuberculosis and does not have any counterpart in humans, is recognized to be an attractive target for the development ...
    • Membrane-disrupting iridium(III) oligocationic organometallopeptides 

      Salvadó, Iria; Gamba, Ilaria; Montenegro García, Javier; Martínez Costas, José Manuel; Brea Floriani, José Manuel; Loza García, María Isabel; Vázquez López, Miguel; Vázquez Sentís, Marco Eugenio (Royal Society of Chemistry, 2016-08-19)
      A series of oligoarginine peptide derivatives containing cyclometallated iridium(III) units display remarkable cytotoxicity, comparable to that of cisplatin. In vitro studies with unilamellar vesicles support a membrane-disrupting ...
    • Messenger RNA delivery by hydrazone-activated polymers 

      Juanes, Marisa; Creese, Oliver; Fernández Trillo, Francisco; Montenegro García, Javier (Royal Society of Chemistry, 2019)
      The intracellular delivery of DNA and RNA therapeutics requires the assistance of vectors and/or nucleotide modifications to protect the nucleic acids against host nucleases and promote cellular internalization and release. ...
    • Metal-Catalyzed annulations through activation and cleavage of C−H bonds 

      Gulías Costa, Moisés; Mascareñas Cid, José Luis (WILEY-VCH Verlag GmbH, 2016-06-22)
      The exponential increase in the number of catalytic transformations that involve a metal-promoted activation of hitherto considered inert C−H bonds is promoting a fundamental change in the field of synthetic chemistry. ...
    • Metal-catalyzed Cyclizations to Pyran and Oxazine Derivatives 

      Varela Carrete, Jesús Ángel; Saá Rodríguez, Carlos (Thieme, 2016)
      Pyrans are privileged heterocyclic structures found in numerous natural compounds with extraordinary biological activities. The synthesis of these relevant structures has attracted a great deal of attention over the years. ...





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