Now showing items 341-360 of 368

    • The rainbow instanton method: A new approach to tunneling splitting in polyatomics 

      Smedarchina, Zorka; Siebrand, Willem; Fernández-Ramos, Antonio (AIP Publishing, 2012-12-11)
      A new instanton approach is reported to tunneling at zero-temperature in multidimensional (MD) systems in which a “light particle” is transferred between two equivalent “heavy” sites. The method is based on two concepts. ...
    • The role of the secondary structure of helical poly(phenylacetylene)s in the formation of nanoparticles from polymer–metal complexes (HPMCs) 

      Rodríguez Riego, Rafael; Arias, Sandra; Quiñoá Cabana, Emilio; Riguera Vega, Ricardo; Freire Iribarne, Félix Manuel (Royal Society of Chemistry, 2017-08-14)
      The great importance of the secondary structure (compressed/stretched) of helical poly(phenylacetylene)s (PPAs) in the formation of nanostructures (nanospheres and nanotoroids) by complexation with metal ions of diverse ...
    • The ββα fold of zinc finger proteins as a “natural” protecting group. Chemoselective synthesis of a DNA-binding zinc finger derivative 

      Rodríguez Villar, Jéssica; Mosquera Mosquera, Jesús; Vázquez Vázquez, Olalla; Vázquez Sentís, Marco Eugenio; Mascareñas Cid, José Luis (Royal Society of Chemistry, 2014)
      We report the selective modification of cysteine residues engineered in peptides that have two additional cysteine residues as part of a Cys2His2 zinc finger motif. The chemoselective modification is achieved, thanks to ...
    • Theoretical Kinetics Study of the F(2P) + NH3 Hydrogen Abstraction Reaction 

      Espinosa-García, Joaquín; Fernández-Ramos, Antonio; Suleimanov, Y. V.; Corchado, J.C. (American Chemical Society, 2014-01-02)
      The hydrogen abstraction reaction of fluorine with ammonia represents a true chemical challenge because it is very fast, is followed by secondary abstraction reactions, which are also extremely fast, and presents an ...
    • A theoretical study of ternary indole–cation–anion complexes 

      Carrazana García, Jorge Antonio; Cabaleiro Lago, Enrique Manuel; Campo Cacharrón, Alba; Rodríguez Otero, Jesús (Royal Society of Chemistry, 2014-09-03)
      The simultaneous interactions of an anion and a cation with a π system were investigated by MP2 and M06-2X theoretical calculations. Indole was chosen as a model π system for its relevance in biological environments. Two ...
    • Thermoelectric properties of heavy-element doped CrN 

      Quintela, C. X.; Rodríguez-González, Benito; Rivadulla, Francisco (AIP Publishing, 2014)
      CrN was doped with Mo and W to study the effect of heavy elements alloying on its thermoelectric properties. An spontaneous phase segregation into Mo- and W-rich regions was observed even at the lowest concentrations probed ...
    • Thickness dependence of exchange coupling in epitaxial Fe3 O4/ CoFe2 O4 soft/hard magnetic bilayers 

      Lavorato, Gabriel Carlos; Winkler, Elin L.; Rivas Murias, Beatriz; Rivadulla, Francisco (APS Physics, 2016)
      Epitaxial magnetic heterostructures of ( soft − ) Fe 3 O 4 / ( hard − ) CoFe 2 O 4 ( 001 ) have been fabricated with a varying thicknesses of soft ferrite from 5 to 25 nm. We report a change in the ...
    • Three-State Switchable Chiral Stationary Phase Based on Helicity Control of an Optically Active Poly(phenylacetylene) Derivative by Using Metal Cations in the Solid State 

      Hirose, Daisuke; Isobe, Asahi; Quiñoá Cabana, Emilio; Freire Iribarne, Félix Manuel; Maeda, Katsuhiro (American Chemical Society, 2019-05-07)
      An unprecedented three-state switchable chiral stationary phase (CSP) for high-performance liquid chromatography (HPLC) was developed using a helical poly(phenylacetylene) bearing a chiral (R)-α-methoxyphenylacetic acid ...
    • TiO2‐Based Photocatalysis at the Interface with Biology and Biomedicine 

      Tomás Gamasa, María; Mascareñas Cid, José Luis (Wiley, 2019)
      The conversion of sunlight into chemical energy by using photosynthetic machinery is at the heart of nature and life. Scientists have also learned to use light energy to promote a great variety of chemical reactions, most ...
    • Towards Ratiometric Sensing of Amyloid Fibrils In Vitro 

      Freire Rodríguez, Sonia; Rodríguez Prieto, María de la Flor; Ríos Rodríguez, María del Carmen; Penedo Esteiro, Juan Carlos; Al-Soufi, Wajih; Novo Rodríguez, María de la Merced (Wiley, 2015)
      The aggregation of amyloid‐β peptide and its accumulation in the human brain has an important role in the etiology of Alzheimer’s disease. Thioflavin T has been widely used as a fluorescent marker for these amyloid aggregates. ...
    • Towards taxane analogues synthesis by dienyne ring closing metathesis 

      Pérez-Estrada, S.; Sayar, N.; Granja Guillán, Juan Ramón (Royal Society of Chemistry, 2016-10-01)
      Herein we report the facile construction of taxadiene analogues by ring closing metathesis of dienynes built on a cyclohexenone with a natural configuration at C1 and its further transformation to incorporate most of the ...
    • Transition metal catalysis in the mitochondria of living cells 

      Tomás Gamasa, María; Martínez Calvo, Miguel; Rodríguez Couceiro, José; Mascareñas Cid, José Luis (Nature Publishing Group, 2016-09-07)
      The development of transition metal catalysts capable of promoting non-natural transformations within living cells can open significant new avenues in chemical and cell biology. Unfortunately, the complexity of the cell ...
    • Transition Metal-mediated Reactions in Biological Media 

      Martínez Calvo, Miguel; Mascareñas Cid, José Luis (Swiss Chemical Society, 2018)
      Transition-metal catalysis has changed the way in which chemical reactions can be accomplished. While most metal-catalyzed reactions have been achieved in organic solvents, recent work has demonstrated that many of these ...
    • Transition Metal‐Promoted Reactions in Aqueous Media and Biological Settings 

      Destito, Paolo; Vidal Vides, Cristian; López García, Fernando; Mascareñas Cid, José Luis (Wiley, 2021)
      During the last decade, there has been a tremendous interest for developing non‐natural biocompatible transformations in biologically relevant media. Among the different encountered strategies, the use of transition metal ...
    • Tuning the properties of penetrating peptides by oxime conjugation 

      Pazo Pascual, Marta; Fernández Caro, Héctor; Priegue Caamaño, Juan Manuel; Lostalé Seijo, Irene; Montenegro García, Javier (Georg Thieme Verlag, 2017-01-25)
      We here describe the application of oxime bond formation between a peptide scaffold and different aldehydes to modify the transporting capabilities of penetrating peptides. We show that bonds such as oximes offer a great ...
    • Tuning the Size of Nanoassembles: A Hierarchical Transfer of Information from Dendrimers to Polyion Complexes 

      Amaral, Sandra P.; Tawara, Ma’un Hasan Haroon; Fernández Villamarín, Marcos; Borrajo, Erea; Martínez Costas, José Manuel; Vidal Figueroa, Anxo; Riguera Vega, Ricardo; Fernández Megía, Eduardo (Wiley, 2018-04-27)
      The generation of dendrimers is a powerful tool in the control of the size and biodistribution of polyion complexes (PIC). Using a combinatorial screening of six dendrimers (18–243 terminal groups) and five oppositely ...
    • Tunneling and Conformational Flexibility Play Critical Roles in the Isomerization Mechanism of Vitamin D 

      Meana Pañeda, Rubén; Fernández Ramos, Antonio (American Chemical Society, 2011-11-27)
      The thermal isomerization reaction converting previtamin D to vitamin D is an intramolecular [1,7]-sigmatropic hydrogen shift with antarafacial stereochemistry. We have studied the dynamics of this reaction by means of the ...
    • Tunneling splitting in double-proton transfer: Direct diagonalization results for porphycene 

      Smedarchina, Zorka; Siebrand, Willem; Fernández-Ramos, Antonio (AIP Publishing, 2014-11-05)
      Zero-point and excited level splittings due to double-proton tunneling are calculated for porphycene and the results are compared with experiment. The calculation makes use of a multidimensional imaginary-mode Hamiltonian, ...
    • A Two-Step, Stereoselective Synthesis of Nine- and Ten-Membered Carbocycles from Phthalates 

      Prado, Gustavo; Veiga, Alberte X.; Fernández-Nieto, Fernando; Paleo, M. Rita; Sardina, F. Javier (American Chemical Society, 2015)
      A two-step, stereoselective procedure for the synthesis of nine- and ten-membered carbocycles from readily available phthalates is described. A variety of dialkyl phthalates have been transformed into [6,n]-fused bicyclo ...
    • Ultrafast deactivation of bilirubin: dark intermediates and two-photon isomerization 

      Carreira Blanco, Carlos; Singer, Patrick; Diller, Rolf; Pérez Lustres, José Luis (Royal Society of Chemistry, 2016)
      Bilirubin is a neurotoxic product responsible for neonatal jaundice, which is generally treated by phototherapy. The photoreaction involves ultrafast internal conversion via an elusive intermediate and Z–E isomerization ...





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