((R)-( )-3-Hydroxyquinuclidium)[FeCl4]; a plastic hybrid compound with chirality, ferroelectricity and long range magnetic ordering

Quinuclidinium salts and their derivatives are now in the focus of materials science as building units of multifunctional materials. Their properties can be easily switchable, allowing their use in a wide range of physical applications. One type of these kinds of materials, the homochiral hybrid halometallate ferroelectric compounds, is not well understood. In this work, (R)-( )-3-quinuclidinol hydrochloride was used in the synthesis of ((R)-( )-3-hydroxyquinuclidium)[FeCl4]. The use of this enantiomeric cation forces crystallographic non-centrosymmetry, which was confirmed by polarimetry and circular dichroism spectroscopy. We studied the physical properties of this compound at different temperatures by single crystal, synchrotron and neutron powder X-ray diffraction, which showed a rich series of structural and magnetic phase transitions. From synchrotron powder X-ray diffraction data, a plastic phase was observed above 370 K (phase I). Between 370 K and ca. 310 K, an intermediate polar phase was detected, solved in a non-centrosymmetric polar space group (C2) (phase II). Below ca. 310 K, the compound crystallizes in the triclinic P1 non-centrosymmetric space group (phase III) which is maintained down to 4 K, followed by phase IV, which shows tridimensional magnetic ordering. The temperature evolution of the neutron diffraction data shows the appearance of new reflections below 4 K. These reflections can be indexed to a commensurate propagation vector k = (0, 0, 12). The magnetic structure below TN was solved in the Ps1 Shubnikov space group, which gives rise to an antiferromagnetic structure, compatible with the magnetometry measurements. Near room temperature, the crystal phase transition is associated with a dielectric change. In particular, the phase transition between phase III (S.G.:P1) and phase II (S.G.:C2) involves an increase of symmetry between two non-centrosymmetric space groups. Therefore, it allows, by symmetry, the emergence of ferroelectric and ferroelastic ordering. Piezoresponse force microscopy (PFM) imaging measurements provided evidence for polarization switching and a local ferroelectric behavior of phase III at room temperature. Additionally, the obtained butterfly curve and hysteresis loop by PFM exhibits a low coercive voltage of B10 V. This value is remarkable, since it approaches those obtained for materials with application in ferroelectric random access memories (FeRAMs).Financial support from Universidad de Cantabria (Proyecto Puente convocatoria 2018 funded by SODERCAN_FEDER), Universidad del País Vasco/Euskal Herriko Unibertsitatea (GIU17/50 and PPG17/37) and Ministerio de Economia y Competividad (MAT2017-89239-C2-(1,2)-P, MAT2017-83631-C3-3-R, MAT2017-86453-R, PGC2018-097520-A-100 and PID2019-104050RAI00) is acknowledged. The authors gratefully acknowledge the technical and human support provided by SGIKer (UPV/EHU, MINECO, GV/EJ, ERDF, and ESF). Carmen Martín is grateful to VI PPIT-2018 from Universidad de Sevilla. The paper is (partly) based on the results of experiments carried out at the ALBA Synchrotron Light Source in Barcelona (proposal 2019083666) and Institute Laue-Langevin (ILL) of Grenoble (Proposals 5-31-2580 and 5-31-2460)

Crystal structure thermal evolution and novel orthorhombic phase of methylammonium lead bromide, CH3NH3PbBr3

Methylammonium (MA) lead trihalide perovskites, CH3NH3PbX3 (X = I, Br, Cl), have emerged as a new class of light-absorbing materials for photovoltaic applications, reaching efficiencies of 23% when implemented in solar cell heterojunctions. In particular, MAPbBr3 is a promising member with a large bandgap that gives rise to a high open circuit voltage. Here we present a structural study from neutron diffraction (ND) data of an undeuterated MAPbBr3 specimen, carried out to follow its crystallographic behaviour in the 2–298 K temperature range. Besides the known crystallographic phases, i.e. the high-temperature Pm3 ¯ m cubic structure, the intermediate I4/mcm tetragonal symmetry and the low-temperature Pnma orthorhombic phase, we additionally identified, from a detailed sequential ND analysis, a novel intermediate phase within the 148.5–154.0 K temperature range as an orthorhombic Imma structure, early associated with a coexistence of phases. Moreover, our ND data allowed us to unveil the configuration of the organic MA units and their complete localization within the mentioned temperature range, thus improving the crystallographic description of this compound. The evolution with temperature of the H-bonds between the organic molecule and the inorganic cage is also followed. A deep knowledge of the crystal structure and, in particular, the MA conformation inside the perovskite cage seems essential to establish structure–property correlations that may drive further improvements.Fil: Abia, Carmen. Institut Laue Langevin; Francia. Instituto de Ciencia de Materiales de Madrid; EspañaFil: Lopez, Carlos Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Investigaciones en Tecnología Química. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Investigaciones en Tecnología Química; ArgentinaFil: Cañadillas Delgado, Laura. Institut Laue Langevin; FranciaFil: Fernández Diaz, María T.. Institut Laue Langevin; FranciaFil: Alonso, José A.. Instituto de Ciencia de Materiales de Madrid; Españ

Factors associated with health related quality of life after a hip or knee total replacement, according to a gender approach

Objective: To identify the factors associated with Health Related Quality of Life (HRQL), and Symptoms and Physical Functional Disability (S&PFD) after a Hip or Knee Total Replacement, according to a gender approach. A longitudinal cohort study design is performed at “La Merced” (Osuna. Sevilla) and “Torrecárdenas” (Almería) Hospitals, via telephone interview since October 2004 to November 2006. The study included all people who underwent a hip or knee total replacement. The dependent variables were HRQL and S&PFD, both measured via short versions of the COOP/WONCA and WOMAC questionnaires.Results: 311 people were included, who were mostly women (82,63%) and 70 years old (average). The hip and knee replacement obtained an statistically significant improvement on HRQL (20,5%) and S&PFD (28,2%), with no gender difference. Five variables were associated to HRQL for Women: HRQL previous to surgery, hospital, local infection as a complication, autonomy for daily living, and marital status. All of them were associated to men, except the last two ones. About S&PFD, six variables were associated for women: HRQL and S&PFD previous to surgery, hospital, local infection as a complication, body mass index and marital status. All of them were associated to men, except the last two ones.Factors associated to improve on HRQL and S&PFD in male population are few, though they find a great explanation of the improvement. Different situation arise on female population because more factors obtained a substantially inferior explanation

Pathological Preoccupation with Healthy Eating (Orthorexia Nervosa) in a Spanish Sample with Vegetarian, Vegan, and Non-Vegetarian Dietary Patterns

Orthorexia nervosa (ON) has been defined as an obsessive and pathological attitude towards healthy nutrition. The aim of this study was to compare individuals who followed a vegan, vegetarian, and omnivore diet in terms of ON behaviors and to examine their prime motivations, attitudes, and behaviors towards food. The Spanish version of the ORTO-15 test — ORTO-11-ES — and the Food Choice Questionnaire (FCQ-SP) were used with a demographic questionnaire in an online survey disseminated among the social networks of different vegetarian associations and the general population. Of 466 individuals, 55% followed an omnivore diet, 23.5% were vegetarian and 21.7% were vegan. Results revealed relationships between type of diet and FCQ-SP dimensions for: health and natural content (H = 8.7, p < 0.05), sensory appeal (H = 11.4, p < 0.01), weight control (H = 40.4, p < 0.01), and familiarity (H = 37.3, p < 0.01). Our results confirm the findings of recent studies showing that individuals who follow a vegan or vegetarian diet are more likely to develop a pathological preoccupation with healthy eating versus omnivores. Further studies are required to determine the potential lines of action for the prevention of ON

Factores asociados a la calidad de vida tras una artroplastia total de cadera o rodilla, según una perspectiva de género

To identify the factors associated with Health Related Quality of Life (HRQL), and Symptoms and Physical Functional Disability (S&PFD) after a Hip or Knee Total Replacement, according to a gender approach. A longitudinal cohort study design is performed at “La Merced” (Osuna. Sevilla) and “Torrecárdenas” (Almería) Hospitals, via telephone interview since October 2004 to November 2006. The study included all people who underwent a hip or knee total replacement. The dependent variables were HRQL and S&PFD, both measured via short versions of the COOP/WONCA and WOMAC questionnaires. Results: 311 people were included, who were mostly women (82,63%) and 70 years old (average). The hip and knee replacement obtained an statistically significant improvement on HRQL (20,5%) and S&PFD (28,2%), with no gender difference. Five variables were associated to HRQL for Women: HRQL previous to surgery, hospital, local infection as a complication, autonomy for daily living, and marital status. All of them were associated to men, except the last two ones. About S&PFD, six variables were associated for women: HRQL and S&PFD previous to surgery, hospital, local infection as a complication, body mass index and marital status. All of them were associated to men, except the last two ones. Factors associated to improve on HRQL and S&PFD in male population are few, though they find a great explanation of the improvement. Different situation arise on female population because more factors obtained a substantially inferior explanation.Objetivo: Identificar los factores asociados a la Calidad de Vida Relacionada con la Salud (CVRS) y a la Sintomatología y Discapacidad Física (SyDF) tras una Artroplastia Total de Cadera o Rodilla, según una perspectiva de género. Estudio descriptivo longitudinal de seguimiento de cohorte realizado en los Hospitales “La Merced” (Osuna-Sevilla) y “Torrecárdenas” (Almería), mediante encuesta telefónica antes y después de una artroplastia de cadera o rodilla, desde octubre 2004 hasta noviembre de 2006. Las variables dependientes fueron: CVRS y SyDF, mediante versiones reducidas de los cuestionarios COOP/WONCA y WOMAC. Resultados: El estudio incluyó 311 personas que fueron predominantemente mujeres (82,63%) con una media de 70 años. La artroplastia total de rodilla o cadera produce una mejora estadísticamente significativa de la CVRS (20,5%) y de la SyDF (28,2%), sin diferencias por sexo. Cinco variables se asociaron a la CVRS para mujeres: CVRS previa a la cirugía, hospital, complicación: infección local, autonomía para la vida diaria y Estado civil. De ellas, las dos últimas no aparecieron asociadas en hombres. Sobre la SyDF, se asociaron seis variables para mujeres: CVRS y SyDF previas a la cirugía, hospital, complicación: infección local, índice de masa corporal, y estado civil. De las cuáles, las dos últimas no se asociaron a la SyDF en hombres. Los factores asociados a la mejora en CVRS y SyDF en hombres son poco numerosos y logran una importante explicación de la mejora. Distinta situación ocurre en la mujer que con un mayor número de ellos, se obtiene una explicación notablemente inferior

Assignment of the contribution of the tryptophan residues to the spectroscopic and functional properties of the ribotoxin α-Sarcin

α-Sarcin, a potent cytotoxic protein from Aspergillus giganteus, contains two tryptophan residues at positions 4 and 51. Two single, W4F and W51F, and the double mutant, W4/51F, have been produced and purified to homogeneity. These two residues are neither required for the highly specific ribonucleolytic activity of the protein on the ribosomes (production of the so called α-fragment) nor for its interaction with lipid membranes (aggregation and fusion of vesicles), although the mutant forms involving Trp-51 show a decreased ribonuclease activity. Proton NMR data reveal that no significant changes in the global structure of the enzyme occur upon replacement of Trp-51 by Phe. Substitution of each Trp residue results in a 4 °C drop in the thermal denaturation midpoint, and the double mutant's midpoint is 9°C lower. Trp-51 is responsible for most of the near-UV circular dichroism of the protein and also contributes to the overall ellipticity of the protein in the peptide bond region. Trp-51 does not show fluorescence emission. The membrane-bound proteins undergo a thermal denaturation at a lower temperature than the corresponding free forms. The interaction of the protein with phospholipid bilayers promotes a large increase of the quantum yield of Trp-51 and its fluorescence emission is quenched by anthracene incorporated into the hydrophobic region of such bilayers. This indicates that the region around this residue is located in the hydrophobic core of the bilayer following protein–vesicle interaction. Proteins 2000;41:350–361.C.A., J.M.P.-C., and A.M.-R. are recipients of fellowships from the Ministerio de Educación y Cultura (Spain) and J.L. from the Fundación Ferrer (Barcelona, Spain)

Acute skin toxicity of ultra-hypofractionated whole breast radiotherapy with simultaneous integrated boost for early breast cancer

Background: Whole-breast irradiation (WBI) after breast conserving surgery (BCS) is indicated to improve loco-regional control and survival. Former studies showed that addition of tumor bed boost in all age groups significantly improved local control although no apparent impact on overall survival but with an increased risk of worse cosmetic outcome. Even though shortened regimens in 3 weeks are considered the standard, recent studies have shown the non-inferiority of a treatment regimen of 5 fractions in one-week in both locoregional control and toxicity profile, although simultaneous integrated boost (SIB) in this setting has been scarcely studied. Materials and Methods: From March-2020 to March-2022, 383 patients with early breast cancer diagnosis and a median age of 56 years-old (range 30–99)were included in a prospective registry of ultra-hypofractionated WBI up to a total dose of 26 Gy in 5.2 Gy/fraction with a SIB of 29 Gy in 5.8 Gy/fraction in 272 patients (71%), 30–31 Gy in 6–6.2 Gy/fraction in 111 patients (29%) with close/focally affected margins. Radiation treatment was delivered by conformal 3-D technique in 366 patients (95%), VMAT in 16patients (4%) and conformal 3-D with deep inspiration breath hold (DIBH) in 4patients (1%). Ninety-three per cent of patients received endocrine therapy and 43% systemic or targeted chemotherapy. Development of acute skin complications was retrospectively reviewed. Results: With a median follow-up of 18 months (range 7–31), all patients are alive without evidence of local, regional or distant relapse. Acute tolerance was acceptable, with null o mild toxicity: 182 (48%) and 15 (4%) patients developed skin toxicity grade 1 and 2 respectively; 9 (2%) and 2 (0.5%) patients breast edema grade 1and 2 respectively. No other acute toxicities were observed. We also evaluated development of early delayed complications and observed grade 1 breast edema in 6 patients (2%); grade 1 hyperpigmentation in 20 patients (5%); and grade 1 and 2 breast induration underneath boost region in 10(3%) and 2 patients (0.5%) respectively. We found a statistically significant correlation between the median PTVWBI and presence of skin toxicity (p = 0.028) as well as a significant correlation between late hyperpigmentation with the median PTVBOOST (p = 0.007) and the ratio PTVBOOST/PTVWBI (p = 0.042). Conclusion: Ultra-hypofractionated WBI + SIB in 5 fractions over one-week is feasible and well tolerated, although longer follow-up is necessary to confirm these results

Factores asociados a la calidad de vida tras una artroplastia total de cadera o rodilla, según una perspectiva de género

Objetivo: Identificar los factores asociados a la Calidad de Vida Relacionada con la Salud (CVRS) y a la Sintomatología y Discapacidad Física (SyDF) tras una Artroplastia Total de Cadera o Rodilla, según una perspectiva de género. Estudio descriptivo longitudinal de seguimiento de cohorte realizado en los Hospitales “La Merced” (Osuna-Sevilla) y “Torrecárdenas” (Almería), mediante encuesta telefónica antes y después de una artroplastia de cadera o rodilla, desde octubre 2004 hasta noviembre de 2006. Las variables dependientes fueron: CVRS y SyDF, mediante versiones reducidas de los cuestionarios COOP/WONCA y WOMAC. Resultados: El estudio incluyó 311 personas que fueron predominantemente mujeres (82,63%) con una media de 70 años. La artroplastia total de rodilla o cadera produce una mejora estadísticamente significativa de la CVRS (20,5%) y de la SyDF (28,2%), sin diferencias por sexo. Cinco variables se asociaron a la CVRS para mujeres: CVRS previa a la cirugía, hospital, complicación: infección local, autonomía para la vida diaria y Estado civil. De ellas, las dos últimas no aparecieron asociadas en hombres. Sobre la SyDF, se asociaron seis variables para mujeres: CVRS y SyDF previas a la cirugía, hospital, complicación: infección local, índice de masa corporal, y estado civil. De las cuáles, las dos últimas no se asociaron a la SyDF en hombres. Los factores asociados a la mejora en CVRS y SyDF en hombres son poco numerosos y logran una importante explicación de la mejora. Distinta situación ocurre en la mujer que con un mayor número de ellos, se obtiene una explicación notablemente inferior. Abstract: Objective: To identify the factors associated with Health Related Quality of Life (HRQL), and Symptoms and Physical Functional Disability (S&PFD) after a Hip or Knee Total Replacement, according to a gender approach. A longitudinal cohort study design is performed at “La Merced” (Osuna. Sevilla) and “Torrecárdenas” (Almería) Hospitals, via telephone interview since October 2004 to November 2006. The study included all people who underwent a hip or knee total replacement. The dependent variables were HRQL and S&PFD, both measured via short versions of the COOP/WONCA and WOMAC questionnaires. Results: 311 people were included, who were mostly women (82,63%) and 70 years old (average). The hip and knee replacement obtained an statistically significant improvement on HRQL (20,5%) and S&PFD (28,2%), with no gender difference. Five variables were associated to HRQL for Women: HRQL previous to surgery, hospital, local infection as a complication, autonomy for daily living, and marital status. All of them were associated to men, except the last two ones. About S&PFD, six variables were associated for women: HRQL and S&PFD previous to surgery, hospital, local infection as a complication, body mass index and marital status. All of them were associated to men, except the last two ones. Factors associated to improve on HRQL and S&PFD in male population are few, though they find a great explanation of the improvement. Different situation arise on female population because more factors obtained a substantially inferior explanation. Centro de Trabajo: (1) Dr Salud Pública. Ldo Enfermería. CS San Miguel (Málaga), (2) Dr Medicina. Ldo Farmacia. EASP (Granada), (3) DUE. Dirección General de Asistencia Sanitaria. SAS (Sevilla), (4,6) DUE. H. Torrecárdenas (Almería), (5) DUE. Hospital de la Merced (Sevilla) Fecha del Trabajo: 04/11/2009 Palabra Clave: Artroplastia de Reemplazo, Artroplastia de Reemplazo de Cadera, Artroplastia de Reemplazo de Rodilla, Calidad de Vida, Género y Salud. Key Words: Arthroplasty, Replacement, Arthroplasty, Replacement, Hip, Arthroplasty, Replacement, Knee, Quality of life, Gender and Health

Transforming Cities: Opportunities and Challenges of Urban Regeneration in the Basque Country

Urban renewal policies seek to reverse physical, economic, and social decline in particular areas or neighborhoods—or in whole cities. Such policies are typically associated with public sector solutions to problems in the urban decline of former industrialized spaces that involve developing new economic activities by means of transforming such spaces once more into dynamic and attractive areas. Transforming Cities explores the multiple dimensions—incorporating physical-morphological, economic, functional, cultural, and residential elements—of urban renewal policies in the Basque Country and beyond. Individual chapters discuss urban regeneration in Bilbao, the legal framework of urban planning as a public function, the "smart city" model of sustainable and intelligent urban spaces, and culture as a strategic element for the reactivation, renewal, and development of new urban models, including the specific case of cultural heritage as a factor in the urban regeneration of Vitoria-Gasteiz, the legal implications of expropriating cultural assets, public and private collaboration to create cultural clusters, and, finally, the tensions that exist between institutionally driven visions of such transformation and more community-based approaches.This book was published with generous financial support from the Basque Government.Introduction by Arantxa Rodríguez and Joseba Juaristi ? 1. A Model of Regeneration? Urban Redevelopment and Policy-led Gentrification in Bilbao by Arantxa Rodríguez, Pedro Abramo, and Lorenzo Vicario ? 2. Some Reflections on Urban Revitilization and Regeneration in Central Asturias and Metropolitan Bilbao (1980-2010) by Joseba Juaristi Linacero ? 3. Urban Rehabilitation and the Necessity of Conservation: A New Approach by Pilar Garrido Gutiérrez ? 4. RDI and Urban Sustainability: The "Smart City" Model in the Basque Autonomous Community by Estibaliz Rodríguez Núñez and Iñaki Periàñez Cañadillas ? 5. Cultural Policy and Urban Regeneration: Exploring Conditions for Renewal Effectiveness by Beatriz Plaza ? 6. Cultural Heritage as a Factor in the Urban Regeneration of Vitoria-Gasteiz by Agustín Azkarate and Ander de la Fuente ? 7. The Expropriation of Cultural Assets in Urban Regeneration: On the Ruling of the European Court of Human Rights in Kozacio?lu v. Turkey, February 19, 2009 by Carmen Agoues Mendizabal ? 8. Urban Development and Commercial Invigoration through Cultural Clusters in Peripheral Neighborhoods of Bilbao by Gloria Aparicio and Jon Charterina ? 9. Power and Potential: Enclosure and Eruption in Bilbao by Igor Ahedo Gurrutxaga and Imanol Telleria ? Inde