Now showing items 86-105 of 108

    • Some Guidelines for the Synthesis and Melting Characterization of Azide Poly(ethylene glycol) Derivatives 

      González Fernández, Daniel; Torneiro Abuín, Mercedes; Lazzari, Massimo (MDPI, 2020)
      We provide fundamental guidelines in the form of a tutorial to be taken into account for the preparation and characterization of a specific class of poly(ethylene glycol) (PEG) derivatives, namely azide-terminated PEGs. ...
    • Specific Reaction Parameter Multigrid POTFIT (SRP-MGPF): Automatic Generation of Sum-of-Products Form Potential Energy Surfaces for Quantum Dynamical Calculations 

      Panadés Barrueta, Ramón Lorenzo; Martínez Núñez, Emilio; Peláez, Daniel (Frontiers Media, 2019)
      We present Specific Reaction Parameter Multigrid POTFIT (SRP-MGPF), an automated methodology for the generation of global potential energy surfaces (PES), molecular properties surfaces, e.g., dipole, polarizabilities, etc. ...
    • Spectroscopic characterization of mitochondrial G-quadruplexes 

      Illodo, Sara; Pérez González, Cibrán; Barcia, Ramiro; Rodriguez-Prieto, Flor ; Al-Soufi, Wajih; Novo Rodríguez, Mercedes (MDPI, 2022)
      Guanine quadruplexes (G4s) are highly polymorphic four-stranded structures formed within guanine-rich DNA and RNA sequences that play a crucial role in biological processes. The recent discovery of the first G4 structures ...
    • A standard structure for bile acids and derivatives 

      Meijide del Río, Francisco Ángel; Frutos del Río, Santiago de; Soto Tellini, Victor Hugo; Jover Ramos, Aida; Seijas Vázquez, Julio Antonio; Vázquez Tato, María del Pilar; Fraga López, Francisco José; Vázquez Tato, José (MDPI, 2018)
      The crystal structures of two ester compounds (a monomer in its methyl ester form,with anamino isophthalic group, and a dimer in which the two steroid units are linked by a urea bridgerecrystallized from ethyl acetate/methanol) ...
    • Strain-induced enhancement of the thermoelectric power in thin films of hole-doped La2NiO4+δ 

      Bach, P. L.; Vila-Fungueiriño, José M.; Leborán Alvarez, Víctor; Ferreiro Vila, Elías; Rodríguez-González, Benito; Rivadulla Fernández, José Francisco (AIP Publishing, 2013)
      We propose a novel route for optimizing the thermoelectric power of a polaronic conductor, independent of its electronic conductivity. This mechanism is exemplified here in thin-films of La2NiO4+δ. Tensile stress induced ...
    • Sub-µL measurements of the thermal conductivity and heat capacity of liquids 

      López Bueno, Carlos; Bugallo Ferrón, David; Leborán Alvarez, Víctor; Rivadulla Fernández, José Francisco (Royal Society of Chemistry, 2018)
      We present the analysis of the thermal conductivity, κ, and heat capacity, Cp, of a wide variety of liquids, covering organic molecular solvents, ionic liquids and water–polymer mixtures. These data were obtained from ≈0.6 ...
    • Surface enhanced Raman scattering (SERS) in the visible range on scalable aluminum-coated platforms 

      Gómez, Manuel; Kadkhodazadeh, Shima; Lazzari, Massimo (Royal Society of Chemistry, 2018-09-04)
      We demonstrate the potential of combining plasmonic Bragg grating structures, with the scattering effect of a rough Al layer to tune SERS enhancement in the visible region. Novel Al-based substrates with good analytical ...
    • A surfactant concentration model for the systematic determination of the critical micellar concentration and the transition width 

      Al-Soufi, Wajih; Novo Rodríguez, Mercedes (MDPI, 2021)
      The critical micellar concentration (cmc) is a fundamental property of surfactant solutions. Many proposed methods for the definition and determination of the cmc from property-concentration plots yield values, which depend ...
    • 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 ...





      Harvesters:Useful links:
      Universidade de Santiago de Compostela | Teléfonos: +34 881 811 000 e +34 982 820 000 | Contact Us | Send Feedback