48 research outputs found

    Adherencia al tratamiento. Una revisión desde la perspectiva farmacéutica

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    El incumplimiento terapéutico constituye un importante problema asistencial que puede afectar a la salud de los pacientes. Es una de las posibles causas del fracaso de los tratamientos, afecta seriamente a la calidad de vida y genera importantes costes para el sistema de salud. Por estos motivos, el conocimiento de las tasas de incumplimiento resulta de gran interés sanitario. Así, para la planificación de intervenciones efectivas es necesaria la mejora de los instrumentos de medida del comportamiento en la adherencia terapéutica, así como el estudio de los factores relacionados con un apropiado cumplimiento, individual y comunitario. De acuerdo con la revisión realizada, y de forma general, se estima que un 40% de los pacientes no cumple con las recomendaciones terapéuticas. En el caso de las enfermedades agudas, la tasa de incumplimiento llega al 20%, mientras que en las enfermedades crónicas alcanza el 45%. Los principales factores que influyen en la adherencia terapéutica están relacionados con el propio paciente (creencias y motivaciones, edad o estatus socioeconómico), el tipo de enfermedad, el tratamiento propuesto para afrontarla y el propio sistema de asistencia sanitaria. El presente artículo ofrece una visión actualizada de la adherencia terapéutica, con una revisión de los diferentes métodos de medida utilizados, y se identifican los factores relacionados con ella y las principales intervenciones de mejora, incluidas las llevadas a cabo por el profesional de farmacia

    Adherencia al tratamiento. Una revisión desde la perspectiva farmacéutica

    Get PDF
    El incumplimiento terapéutico constituye un importante problema asistencial que puede afectar a la salud de los pacientes. Es una de las posibles causas del fracaso de los tratamientos, afecta seriamente a la calidad de vida y genera importantes costes para el sistema de salud. Por estos motivos, el conocimiento de las tasas de incumplimiento resulta de gran interés sanitario. Así, para la planificación de intervenciones efectivas es necesaria la mejora de los instrumentos de medida del comportamiento en la adherencia terapéutica, así como el estudio de los factores relacionados con un apropiado cumplimiento, individual y comunitario. De acuerdo con la revisión realizada, y de forma general, se estima que un 40% de los pacientes no cumple con las recomendaciones terapéuticas. En el caso de las enfermedades agudas, la tasa de incumplimiento llega al 20%, mientras que en las enfermedades crónicas alcanza el 45%. Los principales factores que influyen en la adherencia terapéutica están relacionados con el propio paciente (creencias y motivaciones, edad o estatus socioeconómico), el tipo de enfermedad, el tratamiento propuesto para afrontarla y el propio sistema de asistencia sanitaria. El presente artículo ofrece una visión actualizada de la adherencia terapéutica, con una revisión de los diferentes métodos de medida utilizados, y se identifican los factores relacionados con ella y las principales intervenciones de mejora, incluidas las llevadas a cabo por el profesional de farmacia

    Lattice dynamics of Sb2Te3 at high pressures

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    We report an experimental and theoretical lattice dynamics study of antimony telluride (Sb 2Te 3) up to 26 GPa together with a theoretical study of its structural stability under pressure. Raman-active modes of the low-pressure rhombohedral (R-3m) phase were observed up to 7.7 GPa. Changes of the frequencies and linewidths were observed around 3.5 GPa where an electronic topological transition was previously found. Raman-mode changes evidence phase transitions at 7.7, 14.5, and 25GPa. The frequencies and pressure coefficients of the new phases above 7.7 and 14.5 GPa agree with those calculated for the monoclinic C2/m and C2/c structures recently observed at high pressures in Bi 2Te 3 and also for the C2/m phase in the case of Bi 2Se 3 and Sb 2Te 3. Above 25 GPa no Raman-active modes are observed in Sb 2Te 3, similarly to the case of Bi 2Te 3 and Bi 2Se 3. Therefore, it is possible that the structure of Sb 2Te 3 above 25 GPa is the same disordered bcc phase already found in Bi 2Te 3 by x-ray diffraction studies. Upon pressure release, Sb 2Te 3 reverts back to the original rhombohedral phase after considerable hysteresis. Raman- and IR-mode symmetries, frequencies, and pressure coefficients in the different phases are reported and discussed. © 2011 American Physical Society.This work has been done under financial support from Spanish MICINN under Project Nos. MAT2010-21270-C04-03/04 and CSD-2007-00045 and supported by the Ministry of Education, Youth and Sports of the Czech Republic (MSM 0021627501). E. P.-G. acknowledges the financial support of the Spanish MEC under a FPI fellowship. Supercomputer time has been provided by the Red Espanola de Supercomputacion (RES) and the MALTA cluster.Gomis Hilario, O.; Vilaplana Cerda, RI.; Manjón Herrera, FJ.; Rodríguez-Hernández, P.; Pérez-González, E.; Muñoz, A.; Kucek, V.... (2011). Lattice dynamics of Sb2Te3 at high pressures. Physical Review B. 84:174305-1-174305-12. https://doi.org/10.1103/PhysRevB.84.174305S174305-1174305-1284Snyder, G. J., & Toberer, E. S. (2008). Complex thermoelectric materials. Nature Materials, 7(2), 105-114. doi:10.1038/nmat2090Venkatasubramanian, R., Siivola, E., Colpitts, T., & O’Quinn, B. (2001). Thin-film thermoelectric devices with high room-temperature figures of merit. Nature, 413(6856), 597-602. doi:10.1038/35098012Harman, T. C. (2002). Quantum Dot Superlattice Thermoelectric Materials and Devices. Science, 297(5590), 2229-2232. doi:10.1126/science.1072886Chen, J., Sun, T., Sim, D., Peng, H., Wang, H., Fan, S., … Yan, Q. (2010). Sb2Te3Nanoparticles with Enhanced Seebeck Coefficient and Low Thermal Conductivity. Chemistry of Materials, 22(10), 3086-3092. doi:10.1021/cm9038297Yin, Y., Sone, H., & Hosaka, S. (2007). Characterization of nitrogen-doped Sb2Te3 films and their application to phase-change memory. Journal of Applied Physics, 102(6), 064503. doi:10.1063/1.2778737Kim, M. S., Cho, S. H., Hong, S. K., Roh, J. S., & Choi, D. J. (2008). Crystallization characteristics of nitrogen-doped Sb2Te3 films for PRAM application. Ceramics International, 34(4), 1043-1046. doi:10.1016/j.ceramint.2007.09.078Anderson, T. L., & Krause, H. B. (1974). Refinement of the Sb2Te3 and Sb2Te2Se structures and their relationship to nonstoichiometric Sb2Te3−y Se y compounds. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, 30(5), 1307-1310. doi:10.1107/s0567740874004729Zhang, H., Liu, C.-X., Qi, X.-L., Dai, X., Fang, Z., & Zhang, S.-C. (2009). Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface. Nature Physics, 5(6), 438-442. doi:10.1038/nphys1270Hasan, M. Z., & Kane, C. L. (2010). Colloquium: Topological insulators. Reviews of Modern Physics, 82(4), 3045-3067. doi:10.1103/revmodphys.82.3045Moore, J. E. (2010). The birth of topological insulators. Nature, 464(7286), 194-198. doi:10.1038/nature08916Xia, Y., Qian, D., Hsieh, D., Wray, L., Pal, A., Lin, H., … Hasan, M. Z. (2009). Observation of a large-gap topological-insulator class with a single Dirac cone on the surface. Nature Physics, 5(6), 398-402. doi:10.1038/nphys1274Wang, G., & Cagin, T. (2007). Electronic structure of the thermoelectric materialsBi2Te3andSb2Te3from first-principles calculations. Physical Review B, 76(7). doi:10.1103/physrevb.76.075201Chen, Y. L., Analytis, J. G., Chu, J.-H., Liu, Z. K., Mo, S.-K., Qi, X. L., … Shen, Z.-X. (2009). Experimental Realization of a Three-Dimensional Topological Insulator, Bi2Te3. Science, 325(5937), 178-181. doi:10.1126/science.1173034Badding, J. V., Meng, J. F., & Polvani, D. A. (1998). Pressure Tuning in the Search for New and Improved Solid State Materials. Chemistry of Materials, 10(10), 2889-2894. doi:10.1021/cm9802393Polvani, D. A., Meng, J. F., Chandra Shekar, N. V., Sharp, J., & Badding, J. V. (2001). Large Improvement in Thermoelectric Properties in Pressure-Tuned p-Type Sb1.5Bi0.5Te3. Chemistry of Materials, 13(6), 2068-2071. doi:10.1021/cm000888qChandra Shekar, N. V., Polvani, D. A., Meng, J. F., & Badding, J. V. (2005). Improved thermoelectric properties due to electronic topological transition under high pressure. Physica B: Condensed Matter, 358(1-4), 14-18. doi:10.1016/j.physb.2004.12.020Ovsyannikov, S. V., Shchennikov, V. V., Vorontsov, G. V., Manakov, A. Y., Likhacheva, A. Y., & Kulbachinskii, V. A. (2008). Giant improvement of thermoelectric power factor of Bi2Te3 under pressure. Journal of Applied Physics, 104(5), 053713. doi:10.1063/1.2973201Ovsyannikov, S. V., & Shchennikov, V. V. (2010). High-Pressure Routes in the Thermoelectricity or How One Can Improve a Performance of Thermoelectrics†. Chemistry of Materials, 22(3), 635-647. doi:10.1021/cm902000xLi, C., Ruoff, A. L., & Spencer, C. W. (1961). Effect of Pressure on the Energy Gap of Bi2Te3. Journal of Applied Physics, 32(9), 1733-1735. doi:10.1063/1.1728426Khvostantsev, L. G., Orlov, A. I., Abrikosov, N. K., & Ivanova, L. D. (1980). Thermoelectric properties and phase transition in Sb2Te3 under hydrostatic pressure up to 9 GPa. Physica Status Solidi (a), 58(1), 37-40. doi:10.1002/pssa.2210580103Sakai, N., Kajiwara, T., Takemura, K., Minomura, S., & Fujii, Y. (1981). Pressure-induced phase transition in Sb2Te3. Solid State Communications, 40(12), 1045-1047. doi:10.1016/0038-1098(81)90248-9Khvostantsev, L. G., Orlov, A. I., Abrikosov, N. K., & Ivanova, L. D. (1985). Kinetic Properties and Phase Transitions in Sb2Te3 under Hydrostatic Pressure up to 9 GPa. physica status solidi (a), 89(1), 301-309. doi:10.1002/pssa.2210890132Thonhauser, T., Scheidemantel, T. J., Sofo, J. O., Badding, J. V., & Mahan, G. D. (2003). Thermoelectric properties ofSb2Te3under pressure and uniaxial stress. Physical Review B, 68(8). doi:10.1103/physrevb.68.085201Thonhauser, T. (2004). Influence of negative pressure on thermoelectric properties of Sb2Te3. Solid State Communications, 129(4), 249-253. doi:10.1016/j.ssc.2003.10.006Einaga, M., Tanabe, Y., Nakayama, A., Ohmura, A., Ishikawa, F., & Yamada, Y. (2010). New superconducting phase of Bi2Te3under pressure above 11 GPa. Journal of Physics: Conference Series, 215, 012036. doi:10.1088/1742-6596/215/1/012036Zhang, J. L., Zhang, S. J., Weng, H. M., Zhang, W., Yang, L. X., Liu, Q. Q., … Jin, C. Q. (2010). Pressure-induced superconductivity in topological parent compound Bi2Te3. Proceedings of the National Academy of Sciences, 108(1), 24-28. doi:10.1073/pnas.1014085108Jacobsen, M. K., Kumar, R. S., Cornelius, A. L., Sinogeiken, S. V., Nico, M. F., Elert, M., … Nguyen, J. (2008). HIGH PRESSURE X-RAY DIFFRACTION STUDIES OF Bi[sub 2−x]Sb[sub x]Te[sub 3] (x = 0,1,2). doi:10.1063/1.2833001Nakayama, A., Einaga, M., Tanabe, Y., Nakano, S., Ishikawa, F., & Yamada, Y. (2009). Structural phase transition in Bi2Te3 under high pressure. High Pressure Research, 29(2), 245-249. doi:10.1080/08957950902951633Einaga, M., Ohmura, A., Nakayama, A., Ishikawa, F., Yamada, Y., & Nakano, S. (2011). Pressure-induced phase transition of Bi2Te3to a bcc structure. Physical Review B, 83(9). doi:10.1103/physrevb.83.092102Zhu, L., Wang, H., Wang, Y., Lv, J., Ma, Y., Cui, Q., … Zou, G. (2011). Substitutional Alloy of Bi and Te at High Pressure. Physical Review Letters, 106(14). doi:10.1103/physrevlett.106.145501Itskevich, E. S., Kashirskaya, L. M., & Kraidenov, V. F. (1997). Anomalies in the low-temperature thermoelectric power of p-Bi2Te3 and Te associated with topological electronic transitions under pressure. Semiconductors, 31(3), 276-278. doi:10.1134/1.1187126Polian, A., Gauthier, M., Souza, S. M., Trichês, D. M., Cardoso de Lima, J., & Grandi, T. A. (2011). Two-dimensional pressure-induced electronic topological transition in Bi2Te3. Physical Review B, 83(11). doi:10.1103/physrevb.83.113106Vilaplana, R., Santamaría-Pérez, D., Gomis, O., Manjón, F. J., González, J., Segura, A., … Kucek, V. (2011). Structural and vibrational study of Bi2Se3under high pressure. Physical Review B, 84(18). doi:10.1103/physrevb.84.184110Richter, W., & Becker, C. R. (1977). A Raman and far-infrared investigation of phonons in the rhombohedral V2–VI3 compounds Bi2Te3, Bi2Se3, Sb2Te3 and Bi2(Te1−xSex)3 (0 <x < 1), (Bi1−ySby)2Te3 (0 <y < 1). Physica Status Solidi (b), 84(2), 619-628. doi:10.1002/pssb.2220840226Sosso, G. C., Caravati, S., & Bernasconi, M. (2009). Vibrational properties of crystalline Sb2Te3from first principles. Journal of Physics: Condensed Matter, 21(9), 095410. doi:10.1088/0953-8984/21/9/095410Dagens, L. (1978). Phonon anomaly near a Fermi surface topological transition. Journal of Physics F: Metal Physics, 8(10), 2093-2113. doi:10.1088/0305-4608/8/10/010Dagens, L., & Lopez-Rios, C. (1979). Thermodynamic properties of a metal near a Fermi surface topological transition: the anomalous electron-phonon interaction contribution. Journal of Physics F: Metal Physics, 9(11), 2195-2216. doi:10.1088/0305-4608/9/11/011Goncharov, A. ., & Struzhkin, V. . (2003). Pressure dependence of the Raman spectrum, lattice parameters and superconducting critical temperature of MgB2: evidence for pressure-driven phonon-assisted electronic topological transition. Physica C: Superconductivity, 385(1-2), 117-130. doi:10.1016/s0921-4534(02)02311-0Antonangeli, D., Farber, D. L., Said, A. H., Benedetti, L. R., Aracne, C. M., Landa, A., … Klepeis, J. E. (2010). Shear softening in tantalum at megabar pressures. Physical Review B, 82(13). doi:10.1103/physrevb.82.132101Santamaría-Pérez, D., Vegas, A., Muehle, C., & Jansen, M. (2011). Structural behaviour of alkaline sulfides under compression: High-pressure experimental study on Cs2S. The Journal of Chemical Physics, 135(5), 054511. doi:10.1063/1.3617236Vilaplana, R., Gomis, O., Manjón, F. J., Segura, A., Pérez-González, E., Rodríguez-Hernández, P., … Kucek, V. (2011). High-pressure vibrational and optical study of Bi2Te3. Physical Review B, 84(10). doi:10.1103/physrevb.84.104112Larson, P. (2006). Effects of uniaxial and hydrostatic pressure on the valence band maximum inSb2Te3: An electronic structure study. Physical Review B, 74(20). doi:10.1103/physrevb.74.205113Lošťák, P., Beneš, L., Civiš, S., & Süssmann, H. (1990). Preparation and some physical properties of Bi2−xInxSe3 single crystals. Journal of Materials Science, 25(1), 277-282. doi:10.1007/bf00544220Horák, J., Quayle, P. C., Dyck, J. S., Drašar, Č., Lošt’ák, P., & Uher, C. (2008). Defect structure of Sb2−xCrxTe3 single crystals. Journal of Applied Physics, 103(1), 013516. doi:10.1063/1.2826940Piermarini, G. J., Block, S., & Barnett, J. D. (1973). Hydrostatic limits in liquids and solids to 100 kbar. Journal of Applied Physics, 44(12), 5377-5382. doi:10.1063/1.1662159Errandonea, D., Meng, Y., Somayazulu, M., & Häusermann, D. (2005). Pressure-induced transition in titanium metal: a systematic study of the effects of uniaxial stress. Physica B: Condensed Matter, 355(1-4), 116-125. doi:10.1016/j.physb.2004.10.030Syassen, K. (2008). Ruby under pressure. High Pressure Research, 28(2), 75-126. doi:10.1080/08957950802235640Hohenberg, P., & Kohn, W. (1964). Inhomogeneous Electron Gas. Physical Review, 136(3B), B864-B871. doi:10.1103/physrev.136.b864Kresse, G., & Hafner, J. (1993). Ab initiomolecular dynamics for liquid metals. Physical Review B, 47(1), 558-561. doi:10.1103/physrevb.47.558Kresse, G., & Hafner, J. (1994). Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium. Physical Review B, 49(20), 14251-14269. doi:10.1103/physrevb.49.14251Kresse, G., & Furthmüller, J. (1996). Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Computational Materials Science, 6(1), 15-50. doi:10.1016/0927-0256(96)00008-0Kresse, G., & Furthmüller, J. (1996). Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set. Physical Review B, 54(16), 11169-11186. doi:10.1103/physrevb.54.11169Blöchl, P. E. (1994). Projector augmented-wave method. Physical Review B, 50(24), 17953-17979. doi:10.1103/physrevb.50.17953Kresse, G., & Joubert, D. (1999). From ultrasoft pseudopotentials to the projector augmented-wave method. Physical Review B, 59(3), 1758-1775. doi:10.1103/physrevb.59.1758Perdew, J. P., Ruzsinszky, A., Csonka, G. I., Vydrov, O. A., Scuseria, G. E., Constantin, L. A., … Burke, K. (2008). Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces. Physical Review Letters, 100(13). doi:10.1103/physrevlett.100.136406Mujica, A., Rubio, A., Muñoz, A., & Needs, R. J. (2003). High-pressure phases of group-IV, III–V, and II–VI compounds. Reviews of Modern Physics, 75(3), 863-912. doi:10.1103/revmodphys.75.863Blanco, M. A., Francisco, E., & Luaña, V. (2004). GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model. Computer Physics Communications, 158(1), 57-72. doi:10.1016/j.comphy.2003.12.001Cardona, M. (2004). Phonon widths versus pressure. High Pressure Research, 24(1), 17-23. doi:10.1080/08957950310001635819Cardona, M. (2004). Effects of pressure on the phonon–phonon and electron–phonon interactions in semiconductors. physica status solidi (b), 241(14), 3128-3137. doi:10.1002/pssb.200405202Ulrich, C., Mroginski, M. A., Goñi, A. R., Cantarero, A., Schwarz, U., Muñoz, V., & Syassen, K. (1996). Vibrational Properties of InSe under Pressure: Experiment and Theory. physica status solidi (b), 198(1), 121-127. doi:10.1002/pssb.2221980117Kulibekov, A. M., Olijnyk, H. P., Jephcoat, A. P., Salaeva, Z. Y., Onari, S., & Allakhverdiev, K. R. (2003). Raman scattering under pressure and the phase transition in ɛ-GaSe. physica status solidi (b), 235(2), 517-520. doi:10.1002/pssb.200301613Cheng, W., & Ren, S.-F. (2011). Phonons of single quintuple Bi2Te3and Bi2Se3films and bulk materials. Physical Review B, 83(9). doi:10.1103/physrevb.83.094301Buga, S. G., Serebryanaya, N. R., Dubitskiy, G. A., Semenova, E. E., Aksenenkov, V. V., & Blank, V. D. (2011). Structure and electrical properties of Sb2Te3and Bi0.4Sb1.6Te3metastable phases obtained by HPHT treatment. High Pressure Research, 31(1), 86-90. doi:10.1080/08957959.2010.52342

    Structural and vibrational study of Bi2Se3 under high pressure

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    The structural and vibrational properties of bismuth selenide (Bi2Se3) have been studied by means of x-ray diffraction and Raman scattering measurements up to 20 and 30 GPa, respectively. The measurements have been complemented with ab initio total-energy and lattice dynamics calculations. Our experimental results evidence a phase transition from the low-pressure rhombohedral (R-3m) phase (B-Bi2Se3) with sixfold coordination for Bi to a monoclinic C2/m structure (B-Bi2Se3) with sevenfold coordination for Bi above 10 GPa. The equation of state and the pressure dependence of the lattice parameters and volume of a and B phases of Bi2Se3 are reported. Furthermore, the presence of a pressure-induced electronic topological phase transition in B-Bi2Se3 is discussed. Raman measurements evidence that Bi2Se3 undergoes two additional phase transitions around 20 and 28 GPa, likely toward a monoclinic C2/c and a disordered body-centered cubic structure with 8-fold and 9- or 10-fold coordination, respectively. These two high-pressure structures are the same as those recently found at high pressures in Bi2Te3 and Sb2Te3. On pressure release, Bi2Se3 reverts to the original rhombohedral phase after considerable hysteresis. Symmetries, frequencies, and pressure coefficients of the Raman and infrared modes in the different phases are reported and discussed.This work was done under financial support from Spanish Ministry of Science and Innovation under Projects No. MAT2007-66129, No. MAT2010-21270-C04-03/04, and No. CSD-2007-00045 and from the Valencian government under Project No. Prometeo/2011-035. It is also supported by the Ministry of Education, Youth and Sports of the Czech Republic Project No. MSM 0021627501

    Brain Oxygen Perfusion and Oxidative Stress Biomarkers in Fetuses with Congenital Heart Disease-A Retrospective, Case-Control Pilot Study.

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    Fetuses with congenital heart disease (CHD) have circulatory changes that may lead to predictable blood flow disturbances that may affect normal brain development. Hypoxemia and hypoperfusion may alter the redox balance leading to oxidative stress (OS), that can be assessed measuring stable end-products. OS biomarkers (OSB) were measured in amniotic fluid in fetuses with (n = 41) and without CHD (n = 44) and analyzed according to aortic flow, expected cyanosis after birth, and a CHD classification derived from this. Birth head circumference (HC) was used as a neurodevelopment biomarker. CHD fetuses had higher levels of ortho-Tyrosine (o-Tyr) than controls (p = 0.0003). There were no differences in o-Tyr levels considering aortic flow obstruction (p = 0.617). Fetuses with expected extreme cyanosis presented the highest levels of o-Tyr (p = 0.003). Among groups of CHD, fetuses without aortic obstruction and extreme cyanosis had the highest levels of o-Tyr (p = 0.005). CHD patients had lower HC than controls (p = 0.023), without correlation with OSB. Patients with HC < 10th percentile, presented high levels of o-Tyr (p = 0.024). Fetuses with CHD showed increased OSB and lower HC when compared to controls, especially those with expected extreme cyanosis. Our results suggest that increased levels of OSB are more influenced by the effect of low oxygenation than by aortic flow obstruction. Future studies with larger sample size are needed to further investigate the role of OSB as an early predictor of neurodevelopmental problems in CHD survivors

    Structural and vibrational properties of CdAl2S4 under high pressure: Experimental and theoretical approach

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    "This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/jp5037926.”The behavior of defect chalcopyrite CdAl2S4 at high pressures and ambient temperature has been investigated in a joint experimental and theoretical study. High-pressure X-ray diffraction and Raman scattering measurements were complemented with theoretical ab initio calculations. The equation of state and pressure dependences of the structural parameters of CdAl2S4 were determined and compared to those of other AB(2)X(4) ordered-vacancy compounds. The pressure dependence of the Raman-active mode frequencies is reported, as well as the theoretical phonon dispersion curves and phonon density of states at 1 atm. Our measurements suggest that defect chalcopyrite CdAl2S4 undergoes a phase transition above 15 GPa to a disordered-rocksalt structure, whose equation of state was also obtained up to 25 GPa. In a downstroke from 25 GPa to 1 atm, our measurements indicate that CdAl2S4 does not return to the defect chalcopyrite phase; it partially retains the disordered-rocksalt phase and partially transforms into the spinel structure. The nature of the spinel structure was confirmed by the good agreement of our experimental results with our theoretical calculations. All in all, our experimental and theoretical results provide evidence that the spinel and defect chalcopyrite phases of CdAl2S4 are competitive at 1 atm. This result opens the way to the synthesis of spinel-type CdAl2S4 at near-ambient conditions.Financial support from the Spanish Consolider Ingenio 2010 Program (Project CSD2007-00045) is acknowledged. This work was also supported by Spanish MICCIN under Project MAT2010-21270-C04-03/04 and by Vicerrectorado de Investigacion de la Universitat Politecnica de Valencia under Projects UPV2011-0914 PAID-05-11 and UPV2011-0966 PAID-06-11. Supercomputer time was provided by the Red Espanola de Supercomputacion (RES) and the MALTA cluster. J.A.S. acknowledges the Juan de la Cierva fellowship program for financial support. AM. and P.R.-H. acknowledge S. Munoz Rodriguez for providing a data-parsing application.Sans Tresserras, JÁ.; Santamaría Pérez, D.; Popescu, C.; Gomis, O.; Manjón Herrera, FJ.; Vilaplana Cerda, RI.; Muñoz, A.... (2014). Structural and vibrational properties of CdAl2S4 under high pressure: Experimental and theoretical approach. Journal of Physical Chemistry C. 118(28):15363-15374. https://doi.org/10.1021/jp5037926S15363153741182

    High-pressure vibrational and optical study of Bi2Te3

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    We report an experimental and theoretical lattice dynamics study of bismuth telluride (Bi2Te3) up to 23 GPa together with an experimental and theoretical study of the optical absorption and reflection up to 10 GPa. The indirect bandgap of the low-pressure rhombohedral (R-3m) phase (α-Bi2Te3) was observed to decrease with pressure at a rate of −6 meV/GPa. In regard to lattice dynamics, Raman-active modes of α-Bi2Te3 were observed up to 7.4 GPa. The pressure dependence of their frequency and width provides evidence of the presence of an electronic-topological transition around 4.0 GPa. Above 7.4 GPa a phase transition is detected to the C2/m structure. On further increasing pressure two additional phase transitions, attributed to the C2/c and disordered bcc (Im-3m) phases, have been observed near 15.5 and 21.6 GPa in good agreement with the structures recently observed by means of x-ray diffraction at high pressures in Bi2Te3. After release of pressure the sample reverts back to the original rhombohedral phase after considerable hysteresis. Raman- and IR-mode symmetries, frequencies, and pressure coefficients in the different phases are reported and discussed.This work has been done under financial support from Spanish MICINN under projects MAT2008-06873-C02- 02, MAT2007-66129, Prometeo/2011-035, MAT2010-21270-C04-03/04, and CSD2007-00045 and supported by the Ministry of Education, Youth and Sports of the Czech Republic (MSM 0021627501)

    Experimental and Theoretical Study of Bi2O2Se Under Compression

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    [EN] We report a joint experimental and theoretical study of the structural, vibrational, elastic, optical, and electronic properties of the layered high-mobility semiconductor Bi2O2Se at high pressure. A good agreement between experiments and ab initio calculations is observed for the equation of state, the pressure coefficients of the Raman-active modes and the bandgap of the material. In particular, a detailed description of the vibrational properties is provided. Unlike other Sillen-type compounds which undergo a tetragonal to collapsed tetragonal pressure-induced phase transition at relatively low pressures, Bi2O2Se shows a remarkable structural stability up to 30 GPa; however, our results indicate that this compound exhibits considerable electronic changes around 4 GPa, likely related to the progressive shortening and hardening of the long and weak Bi-Se bonds linking the Bi2O2 and Se atomic layers. Variations of the structural, vibrational, and electronic properties induced by these electronic changes are discussed.This work was supported by Brazilian Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq) under project 201050/2012-9, by Spanish MINECO projects MAT2015-71070-REDC, MAT2016-75586-C4-1/2/3-P and CTQ2015-65207-P and by the Grant Agency of the Czech Republic (GA CR) under project 16-07711S. Supercomputer time has been provided by the Red Espanola de Supercomputacion (RES) and the MALTA cluster. D.S.-P. and J.A.S. acknowledge the "Ramon y Cajal" fellowship program (RYC-2015-17482) and Spanish Mineco Projects (2014-15643 and 2017-83295-P). J.R.-F. acknowledge the "Juan de la Cierva" program (IJCI-2014-20513) for financial support.Pereira, A.; Santamaría Pérez, D.; Ruiz Fuertes, J.; Manjón, F.; Cuenca Gotor, VP.; Vilaplana Cerda, RI.; Gomis, O.... (2018). Experimental and Theoretical Study of Bi2O2Se Under Compression. The Journal of Physical Chemistry C. 122(16):8853-8867. https://doi.org/10.1021/acs.jpcc.8b02194S885388671221

    Experimental and Theoretical Study of Bi2O2Se Under Compression

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    We report a joint experimental and theoretical study of the structural, vibrational, elastic, optical, and electronic properties of the layered high-mobility semiconductor Bi2O2Se at high pressure. A good agreement between experiments and ab initio calculations is observed for the equation of state, the pressure coefficients of the Raman-active modes and the bandgap of the material. In particular, a detailed description of the vibrational properties is provided. Unlike other Sillén-type compounds which undergo a tetragonal to collapsed tetragonal pressure-induced phase transition at relatively low pressures, Bi2O2Se shows a remarkable structural stability up to 30 GPa; however, our results indicate that this compound exhibits considerable electronic changes around 4 GPa, likely related to the progressive shortening and hardening of the long and weak Bi–Se bonds linking the Bi2O2 and Se atomic layers. Variations of the structural, vibrational, and electronic properties induced by these electronic changes are discussed

    The Antioxidant Potential of the Mediterranean Diet in Patients at High Cardiovascular Risk: An In-Depth Review of the PREDIMED

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    Cardiovascular disease (CVD) is the leading global cause of death. Diet is known to be important in the prevention of CVD. The PREDIMED trial tested a relatively low-fat diet versus a high-fat Mediterranean diet (MedDiet) for the primary prevention of CVD. The resulting reduction of the CV composite outcome resulted in a paradigm shift in CV nutrition. Though many dietary factors likely contributed to this effect, this review focuses on the influence of the MedDiet on endogenous antioxidant systems and the effect of dietary polyphenols. Subgroup analysis of the PREDIMED trial revealed increased endogenous antioxidant and decreased pro-oxidant activity in the MedDiet groups. Moreover, higher polyphenol intake was associated with lower incidence of the primary outcome, overall mortality, blood pressure, inflammatory biomarkers, onset of new-onset type 2 diabetes mellitus (T2DM), and obesity. This suggests that polyphenols likely contributed to the lower incidence of the primary event in the MedDiet groups. In this article, we summarize the potential benefits of polyphenols found in the MedDiet, specifically the PREDIMED cohort. We also discuss the need for further research to confirm and expand the findings of the PREDIMED in a non-Mediterranean population and to determine the exact mechanisms of action of polyphenols
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