Ara es mostren els items 1-20 de 83

  • A continuous mixture of two different dimers in liquid water 

    Pardo Soto, Luis Carlos; Henao Aristizábal, Andrés; Busch, Sebastian; Guàrdia Manuel, Elvira; Tamarit Mur, José Luis (2014-01-01)
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    It is hitherto thought that liquid water is composed of tetrahedrally coordinated molecules with an asymmetric interaction of the central molecule with neighboring molecules. Kuhne et al., Nat. Commun., 2013, 4, 1450 ...
  • 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)
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    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 ...
  • A robust comparison of dynamical scenarios in a glass-forming liquid 

    Vispa, Alessandro; Busch, Sebastian; Tamarit Mur, José Luis; Unruh, Tobias; Fernandez-Alonso, Felix; Pardo Soto, Luis Carlos (2016-02-07)
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    We use Bayesian inference methods to provide fresh insights into the sub-nanosecond dynamics of glycerol, a prototypical glass-forming liquid. To this end, quasielastic neutron scattering data as a function of temperature ...
  • An integrated view of theiInfluence of temperature, pressure, and humidity on the stability of trimorphic cysteamine hydrochloride 

    Gana, Inès; Barrio Casado, María del; Ghaddar, Carine; Nicolai, Beatrice; Do, Bernard; Tamarit Mur, José Luis; Safta, Fathi; Rietveld, Ivo B. (2015-07-01)
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    Understanding the phase behavior of pharmaceuticals is important for dosage form development and regulatory requirements, in particular after the incident with ritonavir. In the present paper, a comprehensive study of the ...
  • Barocaloric and magnetocaloric effects in Fe49Rh51 

    Stern-Taulats, E.; Planes, Antoni; Lloveras Muntané, Pol Marcel; Barrio Casado, María del; Tamarit Mur, José Luis; Pramanick, Sabyasachi; Majumdar, Subham; Frontera, Carlos; Mañosa, Lluís (2014-06-06)
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    We report on calorimetry under applied hydrostatic pressure and magnetic field at the antiferromagnetic-ferromagnetic (AFM/FM) transition of Fe49Rh51. Results demonstrate the existence of a giant barocaloric effect in this ...
  • Benzocaine polymorphism: Pressure-temperature phase diagram involving forms II and III 

    Gana, Inès; Barrio Casado, María del; Do, Bernard; Tamarit Mur, José Luis; Céolin, René; Rietveld, Ivo B. (2013-11-18)
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    tUnderstanding the phase behavior of an active pharmaceutical ingredient in a drug formulation isrequired to avoid the occurrence of sudden phase changes resulting in decrease of bioavailability in amarketed product. ...
  • C60 solvate with (1,1,2)-trichloroethane: dynamic statistical disorder and mixed conformation 

    Mitsari, Efstratia; Romanini, Michela; Qureshi, Navid; Tamarit Mur, José Luis; Barrio Casado, María del; Macovez, Roberto (2016-05-27)
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    We present a full characterization of the orientationally disordered cocrystal of C-60 with (1,1,2)-triChloroethane (C2H3Cl3), by means of X-ray diffraction, Raman spectroscopy, and broadband dielectric spectroscopy. Our ...
  • Collective relaxation dynamics and crystallization kinetics of the amorphous Biclotymol antiseptic 

    Tripathi, Pragya; Romanini, Michela; Tamarit Mur, José Luis; Macovez, Roberto (2015-11-10)
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    We employ dielectric spectroscopy to monitor the relaxation dynamics and crystallization kinetics of the Biclotymol antiseptic in its amorphous phase. The glass transition temperature of the material as determined by ...
  • Conformational polymorphism: The missing phase of 1,1,2,2-tetrachloroethane (Cl2HC-CHCl2) 

    Barrio Casado, María del; Tamarit Mur, José Luis; Mondieig, Denise; Zuriaga, Jose Mariano; Perez, Silvina C.; Negrier, Philippe (2013-05)
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    Halogenoethane derivatives are known to exhibit different polymorphs involving a different translational, orientational, and conformational order. The 1,1,2,2- tetrachloroethane (Cl2HC−CHCl2) exhibits a normal pressure ...
  • Crystal structure and solid-state properties of 3,4-diaminopyridine dihydrogen phosphate and their comparison with other diaminopyridine salts 

    Mahe, N.; Nicolaï, B.; Allouchi, Hassan; Barrio Casado, María del; Do, Bernat; Céolin, René; Tamarit Mur, José Luis; Rietveld, Ivo B. (2013-02)
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    3,4-Diaminopyridine is an active pharmaceutical ingredient for the treatment of Lambert−Eaton myasthenic syndrome (LEMS). It is 3,4-diaminopyridine dihydrogen phosphate that has become the active ingredient of choice. As ...
  • Crystal structure and solid-state studies of aged samples of tienoxolol, an API designed against hypertension 

    Teulon, Jean-Marie; Mahé, Nathalie; Do, Bernard; Nicolaï, Béatrice; Rietveld, Ivo B.; Barrio Casado, María del; Tamarit Mur, José Luis; Céolin, René; Ghéchot, Christophe (2012)
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    Aging of drug molecules is generally studied following regulatory procedures, i.e. under forced conditions and for relatively limited storage time; therefore naturally aged samples are rare and provide scientific reference ...
  • Crystal structures and phase relationships of 2 polymorphs of 1,4-Diazabicyclo[3.2.2]nonane-4-Carboxylic Acid 4-Bromophenyl Ester Fumarate, A selective a-7 nicotinic receptor partial agonist 

    Robert, Benoit; Perrin, Marc-Antoine; Barrio Casado, María del; Tamarit Mur, José Luis; Coquerel, Gerard; Céolin, René; Rietveld, Ivo B. (2016-01)
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    Two polymorphs of the 1:1 fumarate salt of 1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid 4-bromophenyl ester, developed for the treatment of cognitive symptoms of schizophrenia and Alzheimer disease, have been characterized. ...
  • Disentangling the secondary relaxations in the orientationally disordered mixed crystals: cycloheptanol + cyclooctanol two-component system 

    Martínez García, Julio Cesar; Tamarit Mur, José Luis; Pardo Soto, Luis Carlos; Barrio Casado, María del; Rzosca, S. J.; Drozd Rzosca, A. (2010-04-20)
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    The dynamics of the pure compounds and mixed crystals formed between cycloheptanol (cC7-ol) and cyclooctanol (cC8-ol) has been studied by means of broadband dielectric spectroscopy at temperatures near and above the ...
  • Disorder effects on heat transport properties of orientationally disordered crystals 

    Bermejo, F.J.; Sharapova, I.V.; Krivchikov, A.I.; Korolyuk, O.A.; Jezowski, A.; Rovira Esteva, Muriel; Tamarit Mur, José Luis; Pardo Soto, Luis Carlos; Ruíz Martín, María Dolores (2010-03-30)
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  • Double primary relaxation in a highly anisotropic orientational glass-former with low-dimensional disorder 

    Romanini, Michela; Barrio Casado, María del; Capaccioli, Simon; Ruíz Martín, María Dolores; Macovez, Roberto; Tamarit Mur, José Luis (2016-04-26)
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    The freezing of the cooperative reorientational motions in orientationally disordered (OD) molecular crystals marks the so-called \glassy" transition, which may be considered a lower-dimensional version of the structural ...
  • Dynamic characterization of crystalline and glass phases of deuterated 1,1,2,2 tetrachloroethane 

    Perez, Silvina C.; Zuriaga, Jose Mariano; Serra, Pablo; Wolfenson, Alberto; Negrier, Philippe; Tamarit Mur, José Luis (2015-10-07)
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    A thorough characterization of the gamma, beta, and glass phases of deuterated 1,1,2,2 tetrachloroethane (C2D2Cl4) via nuclear quadrupole resonance and Molecular Dynamic Simulations (MDSs) is reported. The presence of ...
  • Dynamics of orientationally disordered mixed crystal sharing Cl-adamantane and CN-adamantane 

    Martínez García, Julio Cesar; Capaccioli, Simon; Díez Berart, Sergio; Tamarit Mur, José Luis; Barrio Casado, María del; Veglio, Néstor Raúl; Pardo Soto, Luis Carlos (2010-01-27)
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    Orientationally disordered (OD) mixed crystals formed between cyanoadamantane (CN-A) and chloroadamantane (Cl-A) have been thermodynamically characterized by means of thermal analysis and X-ray diffraction. The dynamics ...
  • Effects of internal molecular degrees of freedom on the thermal conductivity of some glasses and disordered crystals 

    Davydova, N. A.; Baran, J.; Jezowski, A.; Krivchikov, A.I.; Korolyuk, O.A.; Sharapova, I.V.; Tamarit Mur, José Luis; Bermejo, F.J.; Pardo Soto, Luis Carlos; Rovira Esteva, Muriel; Ruíz Martín, María Dolores (2012-01-01)
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    The thermal conductivity κ(T ) of the fully ordered stable phase II, the metastable phase III, the orientationally disordered (plastic) phase I, as well as the nonergodic orientational glass (OG) phase, of the glass ...
  • Effects of site-occupation disorder on the low-temperature thermal conductivity of molecular crystals 

    Krivchikov, Alexander I; Vdovichenko, Georgii A.; Korolyuk, O. A.; Bermejo, F. Javier; Pardo Soto, Luis Carlos; Tamarit Mur, José Luis; Jezowski, Andrzej; Szewczyk, Daria (2015-01-01)
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    The thermal conductivity of CBrnCl4-n,(n = 0,1,2) and 2-adamantanone (C10H14O) crystals which exhibit substitutional disorder has been measured for temperatures between 2 K and 150 K. Such temperatures comprise signatures ...
  • Emergence of glassy-like dynamics in an orientationally ordered phase 

    Romanini, Michela; Negrier, Philippe; Tamarit Mur, José Luis; Capaccioli, Simon; Barrio Casado, María del; Pardo Soto, Luis Carlos; Mondieig, Denise (2012-04-04)
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    The dynamics of a simple rigid pseudoglobular molecule (2-adamantanone) has been studied by means of dielectric spectroscopy and examined under the constraints imposed by the space group of the crystal structure determined ...