33 research outputs found
Examination of the Feynman-Hibbs Approach in the Study of Ne-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-coronene clusters
( 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 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 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
Utilización de analgésicos opioides en pacientes oncológicos terminales durante los últimos dos meses de vida
A theoretical investigation on the spectrum of the Ar trimer for high rotational excitations
Abstract: A detailed study of the rovibrational spectrum of the Ar trimer is performed by means of an exact hyperspherical coordinate (HC) method and a variational approach based on distributed Gaussian functions (DGFs) to describe the interparticle distances. The good agreement observed between the energy levels obtained with both procedures for high values of the total angular momentum (J=15 and 20) reveals the quality of the DGF method to describe the rotation of the title system. Rotational constants for the lowest bound states, obtained as averages for each vibrational state, have been obtained and compared to previous results. A detailed analysis of density probability functions obtained by means of the HC approach for rovibrational states at J=0 and 20 shows close similitudes thus supporting the vibration-rotation separation adopted within the DGF scheme for the Ar(3) system