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Now showing items 1-20 of 144

    • [60]Fullerene for medicinal purposes, a purity criterion towards regulatory considerations 

      Keykhosravi, Sanaz; Rietveld, Ivo B.; Couto, Diana; Tamarit Mur, José Luis; Barrio Casado, María del; Céolin, René; Moussa, Fathi (Multidisciplinary Digital Publishing Institute (MDPI), 2019-08-01)
      Article
      Open Access
      Since the early nineties countless publications have reported promising medicinal applications for [60]fullerene (C60) related to its unparalleled affinity towards free radicals. Yet, until now no officially approved ...

    • 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)
      Article
      Restricted access - publisher's policy
      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)
      Article
      Open Access
      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)
      Article
      Open Access
      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 ...

    • A thermodynamically consistent phase diagram of a trimorphic pharmaceutical, L-tyrosine ethyl ester, based on limited experimental data 

      Nicolaï, Béatrice; Barrio Casado, María del; Lloveras Muntané, Pol Marcel; Polian, Alain; Itié, Jean-Paul; Tamarit Mur, José Luis; Rietveld, Ivo B. (Royal Society of Chemistry (RSC), 2018-08-29)
      Article
      Open Access

    • Advances and obstacles in pressure-driven solid-state cooling: A review of barocaloric materials 

      Lloveras Muntané, Pol Marcel; Tamarit Mur, José Luis (2021-02-12)
      Article
      Open Access
      Solid-state caloric effects promise since decades a disruptive cooling technology that should be more efficient and cleaner than current vapor compression. However, despite relevant achievements have been made, it is still ...

    • Amorphous binary dispersions of chloramphenicol in enantiomeric pure and racemic poly-lactic acid: morphology, molecular relaxations, and controlled drug release 

      Valenti, Sofia; Díaz Andrade, Angélica María; Romanini, Michela; Valle Mendoza, Luis Javier del; Puiggalí Bellalta, Jordi; Tamarit Mur, José Luis; Macovez, Roberto (2019-09-10)
      Article
      Open Access
      We study amorphous solid dispersions (ASDs) of the chloramphenicol antibiotic in two biodegradable polylactic acid polymers, namely a commercial sample of enantiomeric pure PLLA and a home-synthesized PDLLA copolymer, to ...

    • 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)
      Article
      Open Access
      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 ...

    • An order-disorder phase transition in the van der Waals based solvate of C60 and CClBrH2 

      Ye, Jin; Barrio Casado, María del; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit Mur, José Luis (2018-04-04)
      Article
      Open Access
      The co-crystal of C60·2CBrClH2 possesses a monoclinic (C2/m) structure at room temperature with both molecular entities, C60 and CBrClH2, orientationally ordered. At 322 K, it transforms reversibly into a hexagonal (P6/mmm) ...

    • Anomalous behavior of thermal conductivity at high temperatures for molecular crystals composed of flexible molecules 

      Horbat¿nko, Yuliia V.; Romantsova, Olesia O.; Korolyuk, Oksana A.; Jezowski, Andrzej; Szewczyk, Daria; Tamarit Mur, José Luis; Krivchikov, Alexander (2019-04-01)
      Article
      Open Access
      The temperature dependence of thermal conductivity ¿(¿) of selected molecular polycrystals consisting of flexible molecules was investigated within 20–260¿K. The materials were para-chloronitrobenzene, pentachloronitrobenzene ...

    • Barocaloric and magnetocaloric effects in (MnNiSi)1-x(FeCoGe)x 

      Tapas, Samanta; Lloveras Muntané, Pol Marcel; Us Saleheen, Ahmad; Lepkowski, Daniel L.; Kramer, Emily; Dubenko, Igor; Adams, Philip W.; Young, David P.; Barrio Casado, María del; Tamarit Mur, José Luis; Ali, Naushad; Stadler, Shane (2018-01-11)
      Article
      Open Access

    • 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)
      Article
      Restricted access - publisher's policy
      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 ...

    • Barocaloric properties of quaternary Mn3(Zn,In)N for room-temperature refrigeration applications 

      Boldrin, David; Mendive-Tapia, Eduardo; Zemen, Jan; Staunton, Julie b.; Aznar Luque, Araceli; Tamarit Mur, José Luis; Lloveras Muntané, Pol Marcel; Moya Raposo, Xavier; Cohen, Leslie (American Physical Society (APS), 2021-10-01)
      Article
      Open Access
      The magnetically frustrated manganese nitride antiperovskite family displays significant changes of entropy under hydrostatic pressure that can be useful for the emerging field of barocaloric cooling. Here we show that ...

    • 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)
      Article
      Restricted access - publisher's policy
      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)
      Article
      Open Access
      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)
      Article
      Open Access
      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 ...

    • Colossal barocaloric effects in adamantane derivatives for thermal management 

      Salvatori, Alejandro; Negrier, Philippe; Aznar Luque, Araceli; Barrio Casado, María del; Tamarit Mur, José Luis; Lloveras Muntané, Pol Marcel (American Institute of Physics (AIP), 2022-11-16)
      Article
      Open Access
      Plastic crystals are currently attracting interest because their solid-state caloric functionality could be used to tackle climate change in two critical areas: (i) more environmentally friendly cooling and heating driven ...

    • Colossal barocaloric effects near room temperature in plastic crystals of neopentylglycol 

      Lloveras Muntané, Pol Marcel; Aznar Luque, Araceli; Barrio Casado, María del; Negrier, Philippe; Popescu, C.; Planes Vila, Antoni; Mañosa Carrera, Lluis; Stern Taulats, Enric; Avramenko, Alex; Mathur, N.D.; Moya Raposo, Xavier; Tamarit Mur, José Luis (2019-04-18)
      Article
      Open Access
      There is currently great interest in replacing the harmful volatile hydrofluorocarbon fluids used in refrigeration and air-conditioning with solid materials that display magnetocaloric, electrocaloric or mechanocaloric ...

    • Colossal reversible barocaloric effects in layered hybrid perovskite (C10H21NH3)2MnCl4 under low pressure near room temperature 

      Li, Junning; Barrio Casado, María del; Dunstan, David; Dixey, Richard; Lou, Xiaojie; Tamarit Mur, José Luis; Phillips, Anthony E.; Lloveras Muntané, Pol Marcel (2021-11-10)
      Article
      Open Access
      Barocaloric effects in a layered hybrid organic–inorganic compound, (C10H21NH3)2MnCl4, that are reversible and colossal under pressure changes below 0.1 GPa are reported. This barocaloric performance originates in a phase ...

    • Comparative physical study of three pharmaceutically active benzodiazepine derivatives: crystalline versus amorphous state and crystallization tendency 

      Valenti, Sofia; Barrio Casado, María del; Negrier, Philippe; Romanini, Michela; Macovez, Roberto; Tamarit Mur, José Luis (American Chemical Society, 2021-01-01)
      Article
      Open Access
      Chemical derivatization and amorphization are two possible strategies to improve the solubility and bioavailability of drugs, which is a key issue for the pharmaceutical industry. In this contribution, we explore whether ...