Chemoinformatic Approach: The Case of Natural Products of Panama

Chemoinformatic analysis was used to characterize a compound database of natural products from Panama and other reference collections. Data mining allowed to compare drug-likeness properties with public and commercial software and to achieve a statistical analysis of the physicochemical properties. Visualization of the chemical space in 3D indicates a high structural similarity. Molecular flexibility and complexity were evaluated using 2D descriptors, whereas the molecular scaffold was obtained using the Murcko method, and these showed few differences between the explored data set. In this chapter, we also present and discuss an example of the application of the chemoinformatic approach using the concept of modeling the activity landscape to study the structure-activity relationships (SARs) of compounds with activity against Plasmodium falciparum

Investigación y nuevas tecnologías en la educación artística.

Sin resume

A Multiple System of Radio Sources at the Core of the L723 Multipolar Outflow

We present high angular resolution Very Large Array multi-epoch continuum observations at 3.6 cm and 7 mm towards the core of the L723 multipolar outflow revealing a multiple system of four radio sources suspected to be YSOs in a region of only ~4 arcsecs (1200 AU) in extent. The 3.6 cm observations show that the previously detected source VLA 2 contains a close (separation ~0.29 arcsecs or ~90 AU) radio binary, with components (A and B) along a position angle of ~150 degrees. The northern component (VLA 2A) of this binary system is also detected in the 7 mm observations, with a positive spectral index between 3.6 cm and 7 mm. In addition, the source VLA 2A is associated with extended emission along a position angle of ~115 degrees, that we interpret as outflowing shock-ionized gas that is exciting a system of HH objects with the same position angle. A third, weak 3.6 cm source, VLA 2C, that is detected also at 7 mm, is located ~0.7 arcsecs northeast of VLA 2A, and is possibly associated with the water maser emission in the region. The 7 mm observations reveal the presence of an additional source, VLA 2D, located ~3.5 arcsecs southeast of VLA 2A, and with a 1.35 mm counterpart. All these radio continuum sources have a positive spectral index, compatible with them being YSOs. We also propose that the high velocity CO emission observed in the region could be the superposition of multiple outflows (at least three independent bipolar outflows) excited by the YSOs located at the core, instead of the previous interpretations in terms of only one or two outflows.Comment: Accepted for publication in The Astrophysical Journal (2007 December 6

Mirandesa breed calves: growth performance and carcass characterization affected by sex and livestock production system

12 páginas, 8 tablas, 2 figuras.-- Under License of Creative Commons Attribution 3.0 LicenseThe effect of sex and livestock production system (LPS) on growth performance and carcass characteristics of Mirandesa breed calves was studied. A total of 2,263 and 60 animals for growth performance and carcass characteristics, respectively were used. Initially, the suitability of several equations to describe the growth of cattle from the Mirandesa variety was studied. In all situations, mathematical models were formulated with parameters of clear biological meaning. Bertalanffy and Gompertz equations were the most satisfactory equations to model the growth of males and females, respectively. Calves from traditional system were 68.61 kg heavier than animals from extensive system. On the other hand, calves from traditional systems showed (P<0.01) higher dressing percentage compared to animals from extensive system. There were significant differences for all morphometric parameters by LPS effect with the exception of internal depth pf chest, whereas sex effect had less importance. The LPS had statistically significant effect in all individual joints in the front quarter and hind quarter with the exception of sirloin and eye of round for front quarter and shoulder and the sum of chuck plus neck in the hind quarter. Finally, the LPS had statistically significant effect in all components of fifth quarter, with the exception of intestines, liver, tail and spleen, whereas sex effect only affected heart proportionPeer reviewe

Magneto-caloric effect in the pseudo-binary intermetallic YPrFe17 compound

We have synthesized the intermetallic YPrFe17 compound by arc-melting. X-ray and neutron powder diffraction show that the crystal structure is rhombohedral with View the MathML source space group (Th2Zn17-type). The investigated compound exhibits a broad isothermal magnetic entropy change {\Delta}SM(T) associated with the ferro-to-paramagnetic phase transition (TC \approx 290 K). The |{\Delta}SM| (\approx 2.3 J kg-1 K-1) and the relative cooling power (\approx 100 J kg-1) have been calculated for applied magnetic field changes up to 1.5 T. A single master curve for {\Delta}SM under different values of the magnetic field change can be obtained by a rescaling of the temperature axis. The results are compared and discussed in terms of the magneto-caloric effect in the isostructural R2Fe17 (R = Y, Pr and Nd) binary intermetallic alloys.Comment: Preprint, 5 pages (postprint), 4 figures, regular pape

Position guidelines and evidence base concerning determinants of childhood obesity with a European perspective

Childhood obesity is one of the most pressing global public health issues, with rates increasing fastest in countries at low levels of income. Obesity occurring during childhood is likely to persist throughout the life course, and it is a cause of increased disease risk from the early years of life. This supplement is the result of collaborations involving a large and multidisciplinary group of researchers that were established in the context of the ongoing European Horizon 2020 project Science and Technology in childhood Obesity Policy (STOP). The aim, as in the entire STOP project, is to generate evidence that can support better policies to tackle the problem of childhood obesity in Europe and elsewhere. Quality of life and health well-being concerning children needs to consider personalized, population, and planetary facets to tackle childhood obesity at early stages of life, for in-deep phenotyping, integrating personalized medicine and precision public health interventions at global levels. This supplement contributes to this aim. © 2021 The Authors. Obesity Reviews published by John Wiley & Sons Ltd on behalf of World Obesity Federation

Preimplantation biopsy predicts delayed graft function, glomerular filtration rate and long-term graft survival of transplanted kidneys

Background The predictive value of preimplantation biopsies for long-term graft function is often limited by conflicting results. The aim of this study was to evaluate the influence of time-zero graft biopsy histological scores on early and late graft function, graft survival and patient survival, at different time points. Methods We retrospectively analyzed 284 preimplantation biopsies at a single center, in a cohort of recipients with grafts from live and deceased donors (standard and nonstandard), and their impact in posttransplant renal function after a mean follow-up of 7 years (range 1–16). Implantation biopsy score (IBS), a combination score derived from 4 histopathological aspects, was determined from each sample. The correlation with incidence of delayed graft function (DGF), creatinine clearance (1st, 3rd and 5th posttransplant year) and graft and patient survival at 1 and 5 years were evaluated. Results Preimplantation biopsies provided somewhat of a prognostic index of early function and outcome of the transplanted kidney in the short and long term. In the immediate posttransplantation period, the degree of arteriolosclerosis and interstitial fibrosis correlated better with the presence of DGF. IBS values between 4 and 6 were predictive of worst renal function at 1st and 3rd years posttransplant and 5-year graft survival. The most important histological finding, in effectively transplanted grafts, was the grade of interstitial fibrosis. Patient survival was not influenced by IBS. Conclusions Higher preimplantation biopsy scores predicted an increased risk of early graft losses, especially primary nonfunction. Graft survival (at 1st and 5th years after transplant) but not patient survival was predicted by IBS