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  • Comparing the atomic and macroscopic aging dynamics in an amorphous and partially crystalline Zr44Ti11Ni10Cu10Be25 bulk metallic glass 

    Evenson, Zach; Payes Playa, Alba; Chushkin, Y.; di Michiel, Marco; Pineda Soler, Eloi; Ruta, Beatrice (Cambridge University Press, 2017-06-14)
    Artículo
    Acceso abierto
    Several recent X-ray photon correlation spectroscopy works have reported an anomalous atomic dynamics in hyperquenched metallic glasses. Here, we compare and contrast these microscopic dynamics with that found in a ...
  • On the microscopic mechanism behind the purely orientational disorder-disorder transition in the plastic phase of 1-chloroadamantane 

    Vispa, Alessandro; Monserrat, D.; Cuello, G. J.; Fernandez-Alonso, Felix; Mukhopadhyay, S.; Demmel, F.; Tamarit Mur, José Luis; Pardo Soto, Luis Carlos (2017-08-14)
    Artículo
    Acceso abierto
    Globular molecules of 1-chloroadamantane form a plastic phase in which the molecules rotate in a restrained way, but with their centers of mass forming a crystalline ordered lattice. Plastic phases can be regarded as test ...
  • The Pressure-temperature phase diagram of metacetamol and its comparison to the phase diagram of paracetamol 

    Barrio Casado, María del; Huguet, Judit; Rietveld, Ivo B.; Robert, Benoit; Céolin, René; Tamarit Mur, José Luis (2017-06-01)
    Artículo
    Acceso abierto
    Understanding the polymorphic behavior of active pharmaceutical ingredients is important for formulation purposes and regulatory reasons. Metacetamol is an isomer of paracetamol and it similarly exhibits polymorphism. In ...
  • Investigating therapeutic usage of combined Ticagrelor and Aspirin through solid-state and analytical studies 

    Sadou Yayé, Hassane; Rietveld, Ivo B.; Barrio Casado, María del; Secrétan, Philippe-Henri; Faucheron, Antoine; Karoui, Maher; Tilleul, Patrick; Yagoubi, Najet; Do, Bernard (2017-09-30)
    Artículo
    Acceso abierto
    The mainstay treatment for patients with acute coronary syndrome is an oral route dual antiplatelet therapy with a P2Y12-receptor antagonist and Aspirin (ASA). To improve patient adherence to such treatments, combination ...
  • Thermodynamic and kinetic fragility of Freon 113: the most fragile plastic crystal 

    Vispa, Alessandro; Romanini, Michela; Ramos, M. A.; Pardo Soto, Luis Carlos; Bermejo, F. J.; Hassaine, M.; Krivchikov, Alexander; Taylor, Jonathan; Tamarit Mur, José Luis (2017-03-10)
    Artículo
    Acceso abierto
    We present a dynamic and thermodynamic study of the orientational glass former Freon 113 (1,1,2-trichloro-1,2,2-trifluoroethane, CCl 2 F-CClF 2) in order to analyze its kinetic and thermodynamic fragilities. Freon 113 ...
  • Slow ß relaxation in La-based metallic glasses based on mechanical spectroscopy measurements 

    Qiao, Jichao; Pelletier, J. M.; Li, Ning; Crespo Artiaga, Daniel; Yao, Yao (2017-04-01)
    Artículo
    Acceso restringido por política de la editorial
    Dynamic mechanical relaxations of La-based metallic glasses were investigated by mechanical spectroscopy. In the framework of the mixing enthalpy of constituent atoms, it was found that ß relaxation was less evident by the ...
  • On the structure of prilocaine in aqueous and amphiphilic solutions 

    Silva-Santisteban López, Alvaro; Steinke, Nicola; Johnston, Andrew J; Ruiz Tabbia, Guadalupe Natalia; Pardo Soto, Luis Carlos; McLain, Sylvia E. (2017-05-28)
    Artículo
    Acceso abierto
    The solvation of prilocaine has been investigated in pure water and in an amphiphilic methanol/water solution using a combination of neutron diffraction with isotopic substitution augmented by Empirical Potential Structure ...
  • Genuine antiplasticizing effect of water on a glass-former drug 

    Ruiz Tabbia, Guadalupe Natalia; Romanini, Michela; Hauptmann, Astrid; Loerting, Thomas; Shalaev, Evgenyi; Tamarit Mur, José Luis; Pardo Soto, Luis Carlos; Macovez, Roberto (Macmillan Publishers, 2017-08-07)
    Artículo
    Acceso abierto
    Water is the most important plasticizer of biological and organic hydrophilic materials, which generally exhibit enhanced mechanical softness and molecular mobility upon hydration. The enhancement of the molecular dynamics ...
  • Experimental and topological determination of the pressure-temperature phase diagram of morniflumate, a pharmaceutical ingredient with anti-inflammatory properties 

    Barrio Casado, María del; Tamarit Mur, José Luis; Céolin, René; Robert, Benoit; Guechot, C.; Teulon, J.M.; Rietveld, Ivo B. (2017-09-01)
    Artículo
    Acceso restringido por política de la editorial
    The pressure-temperature phase diagram of morniflumate (niflumic acid ß-morpholinoethyl ester) has been obtained by high-pressure thermal analysis. In addition, calorimetric melting data (TI¿L = (348.1 ± 0.4) K and ¿HI¿L ...
  • A new intermediate polymorph of 1-fluoro-adamantane and its second-order-like transition toward the low temperature phase 

    Yuan, Lina; Clevers, Simon; Burel, Antoine; Negrier, Philippe; Barrio Casado, María del; Ben Hassine, Bacem; Mondieig, Denise; Dupray, Valérie; Tamarit Mur, José Luis; Coquerel, Gerard (2017-06-07)
    Artículo
    Acceso restringido por política de la editorial
    Phase transitions of 1-fluoro-adamantane have been thoroughly investigated by temperature-resolved second harmonic generation (TR-SHG) and X-ray powder diffraction (XRPD). A new polymorph - an intermediate centrosymmetric ...
  • Melting of orientational degrees of freedom 

    Aznar Luque, Araceli; Lloveras Muntané, Pol Marcel; Barrio Casado, María del; Tamarit Mur, José Luis (2017-05)
    Artículo
    Acceso abierto
    We use calorimetry and dilatometry under hydrostatic pressure, X-ray powder diffraction and available literature data in a series of composition-related orientationally disordered (plastic) crystals to characterize both ...
  • Plastic deformation induced anisotropy in metallic glasses: A molecular dynamics study 

    Velasco Cruz, Jorge Enrique; Concustell, Amadeu; Pineda Soler, Eloi; Crespo Artiaga, Daniel (2017-06-15)
    Artículo
    Acceso restringido por política de la editorial
    The atomic structure of a Cu13Ni34Pd53 metallic glass was studied by molecular dynamics simulation at different temperatures along a shear deformation cycle. A simulation box of 1 million atoms was deformed in the x axis ...

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