Ara es mostren els items 81-100 de 155

    • Nose temperature and anticorrelation between recrystallization kinetics and molecular relaxation dynamics in amorphous morniflumate at high pressure 

      Romanini, Michela; Valenti, Sofia; Barrio Casado, María del; Tamarit Mur, José Luis; Macovez, Roberto; Rodríguez Martín, Sergio (2019-07-05)
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      Accés obert
      We probe the dielectric response of the supercooled liquid phase of Morniflumate, a drug with anti-inflammatory and antipyretic properties, studying in particular the pressure and temperature dependence of the relaxation ...
    • On the dimorphism of prednisolone: The topological pressure-temperature phase diagram involving forms I and II 

      Bauer, Michel; Lacoulonche, F.; Céolin, René; Barrio Casado, María del; Khichane, Imène; Robert, Benoit; Tamarit Mur, José Luis; Rietveld, Ivo B. (Elsevier, 2022-08-25)
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      Accés obert
      The dimorphism of the corticosteroid anti-inflammatory drug prednisolone has been investigated by the construction of a topological pressure–temperature phase diagram, using crystallographic and calorimetric data. The ...
    • 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)
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      Accés obert
      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 ...
    • On the polymorphism of l -citrulline: Crystal structure and characterization of the orthorhombic d form 

      Allouchi, Hassan; Nicolai, Beatrice; Barrio Casado, María del; Céolin, René; Mahé, Nathalie; Tamarit Mur, José Luis; Do, Bernard; Rietveld, Ivo B. (2014-03-01)
      Article
      Accés restringit per política de l'editorial
      Solid-state properties of active pharmaceutical compounds are closely related to their dissolution behavior and bioavailability, and understanding their phase behavior leads to better control in the drug formulation process. ...
    • Optimización superficial de alambres de ortodoncia de Ni-Ti superelástico mediante nitruración gaseosa. Parte 1: caracterización de las temperaturas de transformación y de la superelasticidad 

      Boccio, F.; Membrive, A.; Alfonso, M. V.; Tamarit Mur, José Luis; Campos, A.; Solano, E.; Gil, F. J. (Sociedad Ibérica de Biomecánica y Biomateriales, 1998)
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      Accés obert
      Uno de los problemas más importantes en Ortodoncia es la falta de deslizamiento de los alambres de Ortodoncia sobre el bracket, impidiendo una buena terapia para la corrección de las posiciones dentales. Se han cambiado ...
    • Ordered and disordered solvates of C 60 and CBrCl 2 H 

      Ye, Jin; Barrio Casado, María del; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit Mur, José Luis (2019-01-01)
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      Accés obert
      The formation of co-crystals is often unexpected; however, the Buckminster fullerene, for which many solvates are known,is an excellent system to study this tendency. In the present paper, C60 and CBrCl2H co-crystals have ...
    • Orientational order in the stable buckminster fullerene solvate C60·2CBr2H2 

      Ye, Jin; Barrio Casado, María del; Negrier, Philippe; Qureshi, Navid; Rietveld, Ivo B.; Céolin, René; Tamarit Mur, José Luis (2017-04-01)
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      Accés obert
      Crystals of the solvate C60·2CBr2H2 (monoclinic C2/m), which is stable in air, were grown by slow evaporation of solutions of C60 in CBr2H2 at room temperature. The high enthalpy change for the complete desolvation process, ...
    • Orientational relaxations in solid (1,1,2,2)tetrachloroethane 

      Tripathi, Pragya; Mitsari, Efstratia; Romanini, Michela; Serra, Pablo; Tamarit Mur, José Luis; Zuriaga, Jose Mariano; Macovez, Roberto (2016)
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      Accés obert
      We employ dielectricspectroscopy and molecular dynamic simulations to investigate the dipolar dynamics in the orientationally disordered solid phase of (1,1,2,2)tetrachloroethane. Three distinct orientational dynamics are ...
    • Overall stability for the ibuprofen racemate: experimental and topological results leading to the pressure-temperature phase relationships between its racemate and conglomerate 

      Rietveld, Ivo B.; Barrio Casado, María del; Do, Bernard; Tamarit Mur, José Luis; Céolin, René (2012-05-10)
      Article
      Accés restringit per política de l'editorial
      Enantiomer resolution is much sought after for pharmaceutical applications, because many optically active drug molecules have only one pharmaceutically active enantiomer. Although it is always possible to force separation, ...
    • Phase transition in hydrogen-bonded 1-adamantane-methanol 

      Ben Hassine, Bacem; Negrier, Philippe; Barrio Casado, María del; Mondieig, Denise; Massip, Stephane; Tamarit Mur, José Luis (2015-08-01)
      Article
      Accés obert
      The polymorphism of 1-adarnantane-methanol C11H18O has been investigated by differential thermal analysis and single-crystal and powder X-ray diffraction. Below the melting temperature (389.5 +/- 0.4 K), this compound ...
    • Pitfalls and feedback when constructing topological pressure-temperature phase diagrams 

      Céolin, René; Toscani, Siro; Rietveld, Ivo B.; Barrio Casado, María del; Tamarit Mur, José Luis (2017-04-18)
      Article
      Accés obert
      The stability hierarchy between different phases of a chemical compound can be accurately reproduced in a topological phase diagram. This type of phase diagrams may appear to be the result of simple extrapolations, however, ...
    • Polymorphism and solid-solid phase transitions of hydrogen bonded 2-adamantanol and 2-methyl-2-adamantanol compounds 

      Salvatori, Alejandro; Negrier, Philippe; Massip, Stephane; Muñoz Duque, Antonio; Lloveras Muntané, Pol Marcel; Barrio Casado, María del; Tamarit Mur, José Luis (2022-05-28)
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      Accés obert
      The polymorphic behavior at normal pressure as a function of temperature of 2-adamantanol (C10H16O) and 2-methyl-2-adamantanol (C11H18O) has been investigated by single-crystal and powder X-ray diffraction as well as ...
    • Polymorphism in 2-X-Adamantane Derivatives (X = Cl, Br) 

      Negrier, Philippe; Barrio Casado, María del; Tamarit Mur, José Luis; Mondieig, Denise (2014-08-14)
      Article
      Accés restringit per política de l'editorial
      The polymorphism of two 2-X-adamantane derivatives, X = Cl, X = Br, has been studied by X-ray powder diffraction and normal- and high-pressure (up to 300 MPa) differential scanning calorimetry. 2-Br-adamantane displays a ...
    • Polymorphism in halogen-ethane derivatives: CCl3-CCl3 and ClF2C-CF2Cl 

      Negrier, Philippe; Tamarit Mur, José Luis; Barrio Casado, María del; Mondieig, Denise (2013-02-06)
      Article
      Accés restringit per política de l'editorial
      The polymorphism of hexachloroethane, Cl3C−CCl3, has been reinvestigated by means of X-ray and neutron scattering. The long time unknown structure of the intermediate phase II of Cl3C−CCl3 has been determined as monoclinic ...
    • Polymorphism in halogen-ethane derivatives: CCl3-CF2Cl and CF3-CF2Cl 

      Negrier, Philippe; Barrio Casado, María del; Tamarit Mur, José Luis; Pardo Soto, Luis Carlos; Mondieig, Denise (2012-01-03)
      Article
      Accés restringit per política de l'editorial
      Molecular crystals of halogen–ethane derivatives C2X6–nYn (X = Cl, Y = F) are known to display order–disorder phase transitions involving changes of the translational, orientational, and conformational order. The appearance ...
    • Polymorphism of 1,3-X-adamantanes (X = Br, OH, CH3) and the crystal plastic phase formation ability 

      Negrier, Philippe; Ben Hassine, Bacem; Barrio Casado, María del; Romanini, Michela; Mondieig, Denise; Tamarit Mur, José Luis (2020-02-21)
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      Accés obert
      The polymorphism of 1,3-dimethyladamantane (13DMA), 1,3-adamantanediol (13DOHA) and 1,3-dibromoadamantane (13DBrA) has been studied by X-ray powder diffraction, density measurements and differential scanning calorimetry ...
    • Polymorphism of 2-Adamantanone 

      Negrier, Philippe; Barrio Casado, María del; Romanini, Michela; Tamarit Mur, José Luis; Mondieig, Denise; Krivchikov, Alexander I; Kepinski, L.; Jezowski, Andrzej; Szewczyk, Daria (2014-05-07)
      Article
      Accés restringit per política de l'editorial
      The polymorphism of 2-adamantanone (C10H14O) has been investigated by means of X-ray diffraction and high-pressure thermal analysis. The intricate behavior of the low-temperature crystalline phases has been disentangled. ...
    • Polymorphism of benzylthiouracil, an active pharmaceutical ingredient against hyperthyroidism 

      Rietveld, Ivo B.; Allouchi, Hassan; Barrio Casado, María del; Céolin, René; Tamarit Mur, José Luis (2021-04-01)
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      Accés obert
      The crystal structures of dimorphic benzylthiouracil, a drug against hyperthyroidism, have been redetermined and the atom coordinates of the two independent molecules of form I have been obtained for the first time. The ...
    • Polymorphism of spironolactone: An unprecedented case of monotropy turning to enantiotropy with a huge difference in the melting temperatures 

      Rietveld, Ivo B.; Barrio Casado, María del; Lloveras Muntané, Pol Marcel; Céolin, René; Tamarit Mur, José Luis (2018-09-25)
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      Accés obert
    • Polymorphism with conformational isomerism and incomplete crystallization in solid ethanolamine 

      Romanini, Michela; Negrier, Philippe; Tripathi, Pragya; Gournis, Dimitrios; Lira, Kyriaki-Marina; Barrio Casado, María del; Pardo Soto, Luis Carlos; Tamarit Mur, José Luis; Macovez, Roberto (2019-09-25)
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      Accés obert
      We employ calorimetry, Rietveld refinement of X-ray powder diffraction, broadband dielectric spectroscopy and molecular dynamics simulations, to investigate the phase behavior, crystal structure, dc conductivity and ...