Examination of the Feynman-Hibbs Approach in the Study of NeN_N-Coronene Clusters at Low Temperatures

Feynman-Hibbs (FH) effective potentials constitute an appealing approach for investigations of many-body systems at thermal equilibrium since they allow us to easily include quantum corrections within standard classical simulations. In this work we apply the FH formulation to the study of Ne$_N$-coronene clusters ($N=$ 1-4, 14) in the 2-14 K temperature range. Quadratic (FH2) and quartic (FH4) contributions to the effective potentials are built upon Ne-Ne and Ne-coronene analytical potentials. In particular, a new corrected expression for the FH4 effective potential is reported. FH2 and FH4 cluster energies and structures -obtained from energy optimization through a basin-hoping algorithm as well as classical Monte Carlo simulations- are reported and compared with reference path integral Monte Carlo calculations. For temperatures $T> 4$ K, both FH2 and FH4 potentials are able to correct the purely classical calculations in a consistent way. However, the FH approach fails at lower temperatures, especially the quartic correction. It is thus crucial to assess the range of applicability of this formulation and, in particular, to apply the FH4 potentials with great caution. A simple model of $N$ isotropic harmonic oscillators allows us to propose a means of estimating the cut-off temperature for the validity of the method, which is found to increase with the number of atoms adsorbed on the coronene molecule

Associations between eating speed, diet quality, adiposity, and cardiometabolic risk factors

Objective: To assess the associations between eating speed, adiposity, cardiometabolic risk factors, and diet quality in a cohort of Spanish preschool-children. Study design: A cross-sectional study in 1371 preschool age children (49% girls; mean age, 4.8 ± 1.0 years) from the Childhood Obesity Risk Assessment Longitudinal Study (CORALS) cohort was conducted. After exclusions, 956 participants were included in the analyses. The eating speed was estimated by summing the total minutes used in each of the 3 main meals and then categorized into slow, moderate, or fast. Multiple linear and logistic regression models were fitted to assess the β-coefficient, or OR and 95% CI, between eating speed and body mass index, waist circumference, fat mass index (FMI), blood pressure, fasting plasma glucose, and lipid profile. Results: Compared with participants in the slow-eating category, those in the fast-eating category had a higher prevalence risk of overweight/obesity (OR, 2.9; 95% CI, 1.8-4.4; P < .01); larger waist circumference (β, 2.6 cm; 95% CI, 1.5-3.8 cm); and greater FMI (β, 0.3 kg/m2; 95% CI, 0.1-0.5 kg/m2), systolic blood pressure (β, 2.8 mmHg; 95% CI, 0.6-4.9 mmHg), and fasting plasma glucose levels (β, 2.7 mg/dL, 95% CI, 1.2-4.2 mg/dL) but lower adherence to the Mediterranean diet (β, −0.5 points; 95% CI, −0.9 to −0.1 points). Conclusions: Eating fast is associated with higher adiposity, certain cardiometabolic risk factors, and lower adherence to a Mediterranean diet. Further long-term and interventional studies are warranted to confirm these associations

Perfil, competències i funcions de la infermera de salut i escola, referent de salut dels centres educatius al sistema de salut de Catalunya

Infermera; Escola; Salut en centres educatiusEnfermera; Escuela; Salud en centros educativosNurse; School; Health in educational centersLa consolidació de la figura de la infermera de Salut i Escola és un pas significatiu en la direcció correcta per assegurar una atenció de qualitat i promoure hàbits de vida saludables des de les primeres etapes educatives de l’alumnat

Theoretical Investigation of the Infrared Spectra of the H 5

Reduced dimensional quantum dynamics calculations of the infrared spectrum of the H5 + and D5 + clusters are reported in both low, 300-2200 cm-1, and high, 2400-4500 cm -1, energy regions. The proposed four-dimensional quantum model describes the motion of the proton between the two vibrating hydrogen molecules. The simulations are performed using time-dependent and time-independent approaches within the multiconfiguration time-dependent Hartree method. Propagation of the wavepackets includes an absorbing scheme to deal with vibrational dissociating states, and to assign the different spectral lines, block improved relaxation computations are performed for both bound and predissociative vibrational states of the systems. The reported computations make use of an analytical ab initio-based potential energy, and >on the fly> DFT dipole moment surfaces. The predominant features in the spectra are assigned to the excitations of the shared-proton stretch mode, and above dissociation the symmetric and antisymmetric stretching of the two H2 and the breathing mode of H3 + are also involved. The computed infrared absorption spectra for both cations are in very good agreement with the recent experimental measurements available from multiple-photon dissociation and mass-selected single-photon photodissociation spectroscopy techniques. Comparison of the present results with previous theoretical calculations on these systems is also presented. Such comparisons between different theoretical approaches and experimental measurements can serve to evaluate the approximations employed, and to guide higher-order computations. © 2013 American Chemical Society.This work has been supported by the MICINN grants FIS2010- 18132 and FIS2011-29596-C02-01, Consolider-Ingenio 2010 Programme CSD2009-00038 (MICINN), and COST Action CM1002 (CODECS).Peer Reviewe

Full-dimensional ab initio potential energy surface and dynamics for the H+ 7 cluster

J2IFAM 2013 Madrid, February, 13rd-15th 2013Peer reviewe

The Perspective of Patients and Health Professionals on the Prioritization of Assisted Reproductive Techniques. The PRIOFER Study

César Lizán Tudela,1 Irene Cuevas Sáiz,2 Lorenzo Abad de Velasco,2 Laura Gregori Navarro,1 Marta Comellas,3 Francisco Javier Pérez-Sádaba,3 Luis Lizán3,4 1Department of Paediatrics, Obstetrics and Gynaecology, Hospital Clínico Universitario, Valencia, 46010, Spain; 2Department of Paediatrics, Obstetrics and Gynaecology, Consorcio Hospital General Universitario de Valencia, Valencia, 46014, Spain; 3Outcomes 10 SLU, Castellón de la Plana, Spain; 4Department of Medicine, Jaume I University, Castellón de la Plana, SpainCorrespondence: César Lizán Tudela, Department of Paediatrics, Obstetrics and Gynaecology, Hospital Clínico Universitario, Avda. Blasco Ibañez, 17, Valencia, 46010, Spain, Tel +34 654662524, Email [email protected]: To determine the perspective of patients and professionals in Assisted Reproduction Units (ARU) on the importance of assisted reproductive techniques (ART) compared to other elective procedures, to highlight the relevance of ART as an elective procedure and the impact of delayed interventions on patients.Design, Patients and Methods: An observational, descriptive, cross-sectional, online survey-based study was conducted in infertility patients and partners (n=98) and ARU healthcare professionals (n=83). The survey included a best-worst scaling (BWS) experiment and an ad-hoc questionnaire to analyze the pandemic impact on ART management and infertility patients in Spain. In the BWS, each respondent established priorities choosing which patient profile should be rated as the highest and lowest priority profile on a waiting list. To understand the importance that they give to assisted reproduction compared to other procedures, three very common elective procedures involving different patient profiles were selected: cataract surgery, knee arthroplasty, and varicose vein surgery. For each procedure, three hypothetical patient profiles corresponding to three different degrees of severity on a waiting list were designed.Results: Patients attributed greater importance to ART profiles (BWS score: patients 0.14 vs professionals − 0.05; p< 0.01) whereas professionals prioritized cataract surgery (patients 0.06 vs professionals 0.23; p< 0.01). Concerning the profile severity, more severe profiles were prioritized in all procedures by both groups. Patients’ and professionals’ perspectives on the impact of the pandemic were similar, with exceptions: information received for resuming ART; health care provision in crisis situations; and reduction of parenting options. The pandemic affected patients’ ability to conceive a child (70.4% of those surveyed), their psychological well-being (75.5%), and partner, social, and work relationships (69.4%).Conclusion: Preference studies involving patients and professionals can provide important information to define framework criteria for the management of waiting lists for elective procedures, and to prioritize interventions during pandemic periods. The pandemic impact on infertility patients highlights the relevance of developing measures and strategies to cope with similar future situations in the most appropriate way.Keywords: assisted reproduction, coronavirus disease, fertility, patients’ perspective, best-worst scalin

La Rábida : Revista Colombina Iberoamericana. Número 152 - Año XV

36 páginas.Pérez Nieva, Alfonso: Aguas fuertas Colombinas: Séptima estampa.- Siurot, Manuel: Sal del Odiel.- Bersandín: Desde Madrid: De Acá y de Allá.- Ostalé-Tudela: Las repúblicas hispano-americanas y el centenario de Goya.- La fiesta del Mantón de Manila (en Buenos Aires).- Gómez, Eleuterio: La Conferencia Económica Internacional de la Sociedad de Naciones (incluye una proposición de Francisco Cambó: Un problema de interdependencia económica).- Unión sincera (visita de delegación extremeña a La Rábida, en el "Correo Extremeño").- Comunicación del Académico honorario don Juan C. Cebrián.- Siurot, Manuel: Mi Relicario de Italia.- Al margen del Congreso Anti-imperialista de Bruselas (La delegación de Puerto Rico).- Labra y Martínez, Rafael María: Un ejemplo a imitar.- A Don Eduardo Llanos (necrológica)

Formación-información al colectivo universitario sobre el proceso donación-trasplante de órganos (2ª fase de un proyecto de investigación)

Estudio de investigación que analiza la formación-información de un colectivo universitario sobre el proceso de donación-trasplante de órganos. Segunda fase del estudio mediante el pase de una encuesta de opinión que pone de manifiesto aspectos de aceptación, indiferencia o rechazo ante el proceso

Encuesta de opinión: Formación-información de los alumnos de la Universidad de Murcia sobre el proceso donación-trasplante de órganos

Estudio de investigación que analiza la formación-información de un colectivo universitario sobre el proceso de donación-trasplante de órganos. Segunda fase del estudio mediante el pase de una encuesta de opinión que pone de manifiesto aspectos de aceptación, indiferencia o rechazo ante el proceso