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121. Gene-environment interaction analysis of redox-related metals and genetic variants with plasma metabolic patterns in a general population from Spain: The Hortega Study

Author

Galvez-Fernandez, Marta, Sanchez-Saez, Francisco, Domingo-Relloso, Arce, Rodriguez-Hernandez, Zulema, Tarazona, Sonia, Gonzalez-Marrachelli, Vannina, Grau-Perez, Maria, Morales-Tatay, Jose M., Amigo, Nuria, Garcia-Barrera, Tamara, Gomez-Ariza, Jose L., Chaves, F. Javier, Garcia-Garcia, Ana Barbara, Melero, Rebeca, Tellez-Plaza, Maria, Martin-Escudero, Juan C., Redon, Josep, and Monleon, Daniel

Published
2022
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130. Seven-versus 14-day course of antibiotics for the treatment of bloodstream infections by Enterobacterales: a randomized, controlled trial

Author

Solano, Blanca, González-Galán, Verónica, Hinojosa, Esteban, López-Bernal, Francisco, Suñer, Marta, Noval, José Ángel, Giráldez, Álvaro, Navarro, Antonio, Rodríguez-Hernández, María Jesús, Borrego, Yolanda, Gil, Paloma, Lepe, José Antonio, Morales, Isabel, Retamar, Pilar, de Cueto, Marina, Castón, Juan José, Vidal, Elisa, Molina, José, Montero-Mateos, Enrique, Praena-Segovia, Julia, León-Jiménez, Eva, Natera, Clara, López-Cortés, Luis E., Valiente, Lucía, Rosso-Fernández, Clara M., Herrero, Marta, Aller-García, Ana I., Cano, Ángela, Gutiérrez-Gutiérrez, Belén, Márquez-Gómez, Ignacio, Álvarez-Marín, Rocío, Infante, Carmen, Roca, Cristina, Valiente-Méndez, Adoración, Pachón, Jerónimo, Reguera, José María, Corzo-Delgado, Juan Enrique, Torre-Cisneros, Julián, Rodríguez-Baño, Jesús, and Cisneros, José Miguel

Published
2022
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132. The high-pressure behavior of CaMoO4

Author

Panchal, V., Garg, N., Poswal, H. K., Errandonea, D., Rodriguez-Hernandez, P., Munoz, A., and Cavalli, E.

Subjects
Condensed Matter - Materials Science
Abstract

We report a high-pressure study of tetragonal scheelite-type CaMoO4 up to 29 GPa. In order to characterize its high-pressure behavior, we have combined Raman and optical-absorption measurements with density-functional theory calculations. We have found evidence of a pressure-induced phase transition near 15 GPa. Experiments and calculations agree in assigning the high-pressure phase to a monoclinic fergusonite-type structure. The reported results are consistent with previous powder x-ray-diffraction experiments, but are in contradiction with the conclusions obtained from earlier Raman measurements, which support the existence of more than one phase transition in the pressure range covered by our studies. The observed scheelite-fergusonite transition induces significant changes in the electronic band gap and phonon spectrum of CaMoO4. We have determined the pressure evolution of the band gap for the low- and high-pressure phases as well as the frequencies and pressure dependences of the Raman-active and infrared-active modes. In addition, based upon calculations of the phonon dispersion of the scheelite phase, carried out at a pressure higher than the transition pressure, we propose a possible mechanism for the reported phase transition. Furthermore, from the calculations we determined the pressure dependence of the unit-cell parameters and atomic positions of the different phases and their room-temperature equations of state. These results are compared with previous experiments showing a very good agreement. Finally, information on bond compressibility is reported and correlated with the macroscopic compressibility of CaMoO4. The reported results are of interest for the many technological applications of this oxide., Comment: 36 pages, 10 figures, 8 tables

Published
2017
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133. First-Principles Study of InVO4 under Pressure: Phase Transitions from CrVO4- to AgMnO4-Type Structure

Author

López-Moreno, Sinhué, Rodríguez-Hernández, Plácida, Muñoz, Alfonso, and Errandonea, Daniel

Subjects
Condensed Matter - Materials Science
Abstract

First-principles calculations have been carried out to study the InVO4 compound under pressure. In this work, total energy calculations were performed in order to analyze the structural behavior of the experimentally known polymorphs of InVO4: a-MnMoO4-type (I), CrVO4-type (III), and wolframite (V). In addition, in this paper we present our results about the stability of this compound beyond the pressures reached by experiments. We propose some new high-pressure phases on the basis of the study of 13 possible candidates. The quasi-harmonic approximation has been used to calculate the sequence of phase transitions at 300 K: CrVO4-type, III (the transition pressure is given in parentheses) -> wolframite, V (4.4 GPa) -> raspite, VI (28.1 GPa) -> AgMnO4-type, VII (44 GPa). Equations of state and phonon frequencies as a function of pressure have been calculated for the studied phases. In order to determine the stability of each phase, we also report the phonon dispersion along the Brillouin zone and the phonon density of states for the most stable polymorphs. Finally, the electronic band structure for the low- and high-pressure phases for the studied polymorphs is presented as well as the pressure evolution of the band gap by using the HSE06 hybrid functional.

Published
2017
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134. High-pressure structural, elastic, and thermodynamic properties of zircon-type HoPO4 and TmPO4

Author

Gomis, O., Lavina, B., Rodríguez-Hernández, P., Muñoz, A., Errandonea, R., Errandonea, D., and Bettinelli, M.

Subjects
Condensed Matter - Materials Science
Abstract

Zircon-type HoPO4 and TmPO4 have been studied by single-crystal x-ray diffraction and ab initio calculations. We report information on the influence of pressure on the crystal structure, and on the elastic and thermodynamic properties. The equation of state for both compounds is accurately determined. We have also obtained information on the polyhedral compressibility which is used to explain the anisotropic axial compressibility and the bulk compressibility. Both compounds are ductile and more resistive to volume compression than to shear deformation at all pressures. Furthermore, the elastic anisotropy is enhanced upon compression. Finally, the calculations indicate that the possible causes that make unstable the zircon structure are mechanical instabilities and the softening of a silent B1u mode., Comment: 43 pages, 11 figures, 4 tables

Published
2017
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135. Optical and structural study of the pressure-induced phase transition of CdWO$_4$

Author

Ruiz-Fuertes, J., Friedrich, A., Errandonea, D., Segura, A., Morgenroth, W., Rodriguez-Hernandez, P., Muñoz, A., and Meng, Y.

Subjects
Condensed Matter - Materials Science
Abstract

The optical absorption of CdWO$_4$ is reported at high pressures up to 23 GPa. The onset of a phase transition was detected at 19.5 GPa, in good agreement with a previous Raman spectroscopy study. The crystal structure of the high-pressure phase of CdWO$_4$ was solved at 22 GPa employing single-crystal synchrotron x-ray diffraction. The symmetry changes from space group $P$2/$c$ in the low-pressure wolframite phase to $P2_1/c$ in the high-pressure post-wolframite phase accompanied by a doubling of the unit-cell volume. The octahedral oxygen coordination of the tungsten and cadmium ions is increased to [7]-fold and [6+1]-fold, respectively, at the phase transition. The compressibility of the low-pressure phase of CdWO$_4$ has been reevaluated with powder x-ray diffraction up to 15 GPa finding a bulk modulus of $B_0$ = 123 GPa. The direct band gap of the low-pressure phase increases with compression up to 16.9 GPa at 12 meV/GPa. At this point an indirect band gap crosses the direct band gap and decreases at -2 meV/GPa up to 19.5 GPa where the phase transition starts. At the phase transition the band gap collapses by 0.7 eV and another direct band gap decreases at -50 meV/GPa up to the maximum measured pressure. The structural stability of the post-wolframite structure is confirmed by \textit{ab initio} calculations finding the post-wolframite-type phase to be more stable than the wolframite at 18 GPa. Lattice dynamic calculations based on space group $P2_1/c$ explain well the Raman-active modes previously measured in the high-pressure post-wolframite phase. The pressure-induced band gap crossing in the wolframite phase as well as the pressure dependence of the direct band gap in the high-pressure phase are further discussed with respect to the calculations., Comment: 9 pages, 9 figures

Published
2017
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137. Using Knowledge Work Intensity Assessment to Improve the Effectiveness of Quality Assurance in New Drug Development

Author

Viña-Brito, Silvio, Rodríguez-Hernández, Aida G., Viña-Rodríguez, Lisel, Rodríguez, Yordán, Kacprzyk, Janusz, Series Editor, Gomide, Fernando, Advisory Editor, Kaynak, Okyay, Advisory Editor, Liu, Derong, Advisory Editor, Pedrycz, Witold, Advisory Editor, Polycarpou, Marios M., Advisory Editor, Rudas, Imre J., Advisory Editor, Wang, Jun, Advisory Editor, Black, Nancy L., editor, Neumann, W. Patrick, editor, and Noy, Ian, editor

Published
2021
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142. Gender differences in work-life balance of European neurosurgeons

Author

Lambrianou, Xanthoula, Tzerefos, Christos, Janssen, Insa K., Mihaylova, Stiliana, Aydin, Aysegul Esen, Al-Ahmad, Selma, Broekman, Marike LD., Gazioglu, Nurperi, Duran, Silvia Hernandez, Ivan, Daniela Luminita, Karampouga, Maria, Magnadottir, Hulda B., Pajaj, Ermira, Rodríguez-Hernández, Ana, Rosseau, Gail, Salokorpi, Niina, Tsianaka, Eleni, Vayssiere, Pia, Murphy, Mary, and Tasiou, Anastasia

Published
2022
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143. Approach to the patient with cholestasis and jaundice syndrome. Joint AMH, AMG, and AMEG scientific position statement

Author

Contreras-Omaña, R., Velarde-Ruiz Velasco, J.A., Castro-Narro, G.E., Trujillo- Benavides, O., Zamarripa-Dorsey, F., Reyes-Dorantes, A.A., Muñoz-Espinosa, L., Aiza-Haddad, I., Castillo-Barradas, M., Cerda-Reyes, E., Cisneros-Garza, L.E., Flores-Calderón, J., García-Jiménez, E.S., Higuera-de-la-Tijera, M.F., Lira-Pedrín, M.A., Marquez-Guillén, E., Moctezuma-Velázquez, C., Moreno-Alcántar, R., Noyola-Cedillo, S.G., Pérez-Hernández, J.L., Ramos-Gómez, M.V., Remes-Troche, J.M., Rizo-Robles, M.T., and Rodríguez-Hernández, H.

Published
2022
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144. Summary and Future Outlooks

Author

González-Henríquez, C. M., Vallejos, M. A. Sarabia, Rodríguez-Hernández, Juan, González-Henríquez, C. M., editor, and Rodríguez-Hernández, Juan, editor

Published
2019
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