Now showing items 89-103 of 103

    • The influence of colloidal parameters on the specific power absorption of PAA-coated magnetite nanoparticles 

      Piñeiro Redondo, Yolanda; Bañobre López, Manuel; Pardiñas Blanco, Iván; Goya, Gerardo; López Quintela, Manuel Arturo; Rivas Rey, José (Springer, 2011)
      The suitability of magnetic nanoparticles (MNPs) to act as heat nano-sources by application of an alternating magnetic field has recently been studied due to their promising applications in biomedicine. The understanding ...
    • 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. ...
    • 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-Dimensional Hybrid Mesoporous Scaffolds for Simvastatin Sustained Delivery with in Vitro Cell Compatibility 

      Vargas Osorio, Zulema; Luzardo Álvarez, Asteria María; Piñeiro Redondo, Yolanda; Vázquez Vázquez, Carlos; Gómez Amoza, José Luis; Blanco Méndez, José; Otero Espinar, Francisco Javier; Rivas Rey, José (American Chemical Society, 2019)
      The development of scaffolds with suitable physicochemical and mechanical properties allowing for the structural regeneration of injured bone and recovery of the natural biological functionality is still a challenge in ...
    • 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. ...
    • 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, ...
    • 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 ...
    • Understanding the metal distribution in core-shell nanoparticles prepared in micellar media 

      Tojo, Concha; Buceta Fernández, David; López Quintela, Manuel Arturo (Springer, 2015)
      The factors that govern the reaction rate of Au/Pt bimetallic nanoparticles prepared in microemulsions by a one-pot method are examined in the light of a simulation model. Kinetic analysis proves that the intermicellar ...
    • Unveiling the multi-step solubilization mechanism of sub-micron size vesicles by detergents 

      Dalgarno, Paul A.; Juan-Colás, José; Hedley, Gordon J.; Piñeiro Maseda, Lucas; Novo Rodríguez, María de la Merced; Pérez González, Cibrán; Samuel, Ifor D. W.; Leake, Mark C.; Johnson, Steven; Al-Soufi, Wajih; Penedo, J. Carlos; Quinn, Steven D. (Nature Publishing Group, 2019)
      The solubilization of membranes by detergents is critical for many technological applications and has become widely used in biochemistry research to induce cell rupture, extract cell constituents, and to purify, reconstitute ...
    • What Fate for Plastics in Artworks? An Overview of Their Identification and Degradative Behaviour 

      Lazzari, Massimo; Reggio, Daniela (MDPI, 2021)
      This review is conceived as a guide for material science researchers and conservators aiming to face the problem of deterioration of contemporary artworks entirely or partially made of plastics. It initially illustrates ...
    • Zero-Point Tunneling Splittings in Compounds with Multiple Hydrogen Bonds Calculated by the Rainbow Instanton Method 

      Smedarchina, Zorka; Siebrand, Willem; Fernández-Ramos, Antonio (American Chemical Society, 2013-10-04)
      Zero-point tunneling splittings are calculated, and the values are compared with the experimentally observed values for four compounds in which the splittings are due to multiple-proton transfer along hydrogen bonds. These ...





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