Why are Zn-rich Zn-Mg nanoalloys optimal protective coatings against corrosion? A first-principles study of the initial stages of the oxidation process.

ZnMg alloys of certain compositions in the Zn-rich side of the phase diagram are particularly efficient, and widely used, as anticorrosive coatings, but a sound understanding of the physico-chemical properties behind such quality is still far from being achieved. The present work focuses on the first stage of the corrosion process, namely the initial growth of a sacrificial surface oxide layer, whose characteristics will condition the next stages of the corrosion. A comprehensive ab initio study, based on density functional theory, is carried out on ZnMg nanoalloys with 20 atoms and different compositions, which serve as model systems to simulate the complex processes that occur in extended granular surfaces. The structural and electronic properties, when progressive oxidation of the nanoalloys takes place, are analyzed in detail with the help of structural descriptors, energetic descriptors such as the oxygen adsorption energies and excess adsorption energies, as well as with electronic ones based on the topological analysis of the electron density and the electron localization function, from which a detailed analysis of the bonding patterns is extracted. We explain why small amounts of Mg create a very positive synergy between Zn and Mg that increases the reactivity to oxygen while reducing, at the same time, the stress induced on the cluster substrate, both facts working in favor of promoting the growth of the oxide crust whilst protecting the core. Moreover, we also show that stoichiometries close to the Mg2Zn11 and MgZn2 compositions are the best candidates to optimize the protection against corrosion in Zn-Mg alloys, in agreement with the experimental observations.

Early establishment response of different Pinus nigra ssp. salzmanii seed sources on contrasting environments: Implications for future reforestation programs and assisted population migration.

Forest restoration constitutes an important issue within adaptive environmental management for climate change at global scale. However, effective implementation of these programs can only be achieved by revising current seed transfer guidelines, as they lack inherent spatial and temporal dynamics associated with climate change. In this sense, provenance trials may provide key information on the relative performance of different populations and/or genotypes under changing ecological conditions. This study addresses a methodological approach to evaluate early plantation performance and the consequent phenotypic plasticity and the pattern of the adaptation of different seed sources in contrasting environments. To this end, six seed sources of Salzmann pine were tested at three contrasting trial sites testing a hypothetical assisted population migration. Adaptation at each site was assessed through Joint Regression and Additive Main effect and Multiplication Interaction (AMMI) models. Most of the observed variation was attributed to the environment (above 90% for all traits), even so genotype and genotype by environment interaction (GxE) were significant. Seedlings out-planted under better site conditions did not differ in survival but in height growth. However, on sites with higher constraints, survival differed among seed sources and diameter growth was high. The adaptation analyses (AMMI) indicated that the cold-continental seed source 'Soria' performed as a generalist seed source, whereas 'Cordilleras Béticas', the southernmost seed source, was more adapted to harsh environments (frost and drought) in terms of survival. The results supported partially the hypothesis that assisted migration of seed sources makes sense within limited transfer distances, and this was reinforced by the GxE results. The present study could be valuable to address adaptive transfer of seedings in ecological restoration and to determine the suitable seed sources for reforestation programs and assisted population migration under climatic changes. The reported results are based on 3 years' data and need to be considered in this context.

Impact of the implementation of a standardised interdisciplinary information transfer method in the delivery room and intermediate obstetric care unit.

AIM: This study aims to describe the implementation of the standard methodology for information transfer in the labour ward and Intermediate Obstetric Care Unit and to identify the impact of this implementation on the factors that act as facilitators and barriers in the procedure. METHOD: Quasi-experimental pretest-posttest study without a control group in an Intermediate Obstetric Care Unit and delivery room of the Maternal-Fetal Medicine Service of a tertiary hospital in Barcelona. Healthcare staff self-completed an ad hoc questionnaire before and after implementing the standardised IDEAS methodology in the service during 2019 and 2020. Personal self-perception in the information transfer procedure was assessed. The Wilcoxon pairwise test was used for comparison before and after. RESULTS: The use of a standardised methodology has shown an impact on improving the transmission of information. Significant differences were detected before and after the intervention in the following dimensions: location, people involved, time period of the procedure, structured, orderly and clear, and sufficient time for questions (p < 0.001); while no differences were observed in: transmission to the referring professional, well-defined actions, and completion of a summary. CONCLUSIONS: There are factors such as structural and organisational aspects and lack of time that hinder effective communication and therefore act as barriers to the transfer of information. The implementation of a methodology with the health professionals involved, the time and the appropriate space allows for the improvement of communication aspects in the multiprofessional team and, therefore, patient safety.

A new accurate and full dimensional potential energy surface of H5(+) based on a triatomics-in-molecules analytic functional form.

In this work a reliable full nine-dimensional potential energy surface for studying the dynamics of H(5)(+) is constructed, which is completely symmetric under any permutation of the nuclei. For this purpose, we develop a triatoms-in-molecules method as an extension of the more common diatoms-in-molecules one, which allows a very accurate description of the asymptotic regions by including correctly the charge-induced dipole and quadrupole interactions. Moreover, this treatment provides a semiquantitative description of all the topological features of the global potential compared with coupled cluster results. In particular, the hop of the proton between two H(2) fragments produces a double well in the potential. This resonant structure involving the five atoms produces a stabilization, lowering the barrier, and the triatoms-in-molecules yields to a barrier significantly higher than the ab initio results. Therefore, to improve the triatomics-in-molecules potential surface, two five-body terms are added, which are fitted to more than 110,000 coupled-cluster ab initio points. The global potential energy surface thus obtained in this work has an overall root mean square error of 0.079 kcal/mol for energies below 27 kcal/mol above the global well. The features of the potential are described and compared with previous available surfaces.

[Gastrointestinal comorbidity and symptoms associated with depression in patients aged over 60 years]. / Comorbilidad y síntomas digestivos asociados a depresión en pacientes mayores de 60 años.

OBJECTIVE: A study was carried out on the prevalence of gastrointestinal diagnoses and symptoms associated with depression. MATERIAL AND METHODS: A cross-sectional observational study was conducted in Primary Care in 2017. All patients aged 60 years or more with depression were included from the health care centre (N=2312), and were compared to the total patients that visited the centre from the same age group without depression (N=11049). The variables collected were age, gender and the codes for gastrointestinal symptoms and chronic conditions. These were obtained from the computerised medical files. The prevalence was calculated for both groups, and included the odds ratio (OR) and 95% confidence interval (CI). RESULTS: More than one-third (38.0%) of patients with depression have chronic gastrointestinal diseases, 64.7% have gastrointestinal symptoms, and 74.7% have either of them. The conditions with strongest associations are: irritable bowel syndrome OR: 2.00 (95% CI: 1.51-2.64), congenital anomaly 1.83 (1.17-2.86), other peptic ulcers 1.75 (1.28-2.40), diverticular disease 1.73 (1.52-1.97), cholecystitis/cholelithiasis 1.59 (1.36-1.86), liver disease 1.55 (1.32-1.82), viral hepatitis 1.50 (1.12-2.02), and oesophageal diseases 1.45 (1.24-1.69). Symptoms with a statistically significant OR were: anorexia 2.81 (1.75-4.50), nausea/vomiting 2.19 (1.79-2.67), constipation 1.96 (1.77-2.18), flatulence 1.78 (1.48-2.14), dysphagia 1,72 (1.30-2.28), abdominal pain 1.69 (1.57-1.82), dyspepsia 1.56 (1.30-1.87), and heartburn 1.55 (1.26-1.92). CONCLUSIONS: Gastrointestinal comorbidity is very common in patients over 60 years-old with depression. Three-quarters of the patients have chronic gastrointestinal diseases or symptoms. The conditions with strongest associations are irritable bowel syndrome, congenital anomalies, other peptic ulcers, and diverticular disease. The symptoms with strongest associations are anorexia, nausea/vomiting, constipation, flatulence, dysphagia, abdominal pain, dyspepsia, and heartburn.

Mechanism of molecular hydrogen dissociation on gold chains and clusters as model prototypes of nanostructures.

The reactivity of H(2) on several gold clusters is studied using density functional theory with generalized gradient approximation methods, as model systems designed to study the main effects determining their catalytic properties under controlled conditions. Border effects are studied in finite linear gold chains of increasing size and compared with the corresponding periodic systems. In these linear chains, the reaction can proceed with no barrier along the minimum energy path, presenting a deep chemisorption well of approximately 1.4 eV. The mechanism presents an important dependence on the initial attacking site of the chain. Linear Au(4) chains joined to model-nanocontacts, formed by 2 or 3 gold atoms, in a planar triangle or in a pyramid, respectively, are also studied. The reaction barriers found in these two cases are approximately 0.24 and 0.16 eV, respectively, corresponding to H(2) attacking the more coordinated edge atom of the linear chain. The study is extended to planar clusters with coordinations IV and VI, for which higher H(2) dissociation barriers are found. However, when the planar gold clusters are folded, and the Au-Au distances elongated, the reactivity increases considerably. This is not due to a change of coordination, but to a larger flexibility of the gold orbitals to form bonds with hydrogen atoms, when the planar sd-hybridization is broken. Finally, it is concluded that the major factor determining the reactivity of gold clusters is not strictly the coordination of gold atoms but their binding structure and some border effects.

Differential cross sections and product rotational polarization in A + BC reactions using wave packet methods: H+ + D2 and Li + HF examples.

The state-to-state differential cross sections for some atom + diatom reactions have been calculated using a new wave packet code, MAD-WAVE3, which is described in some detail and uses either reactant or product Jacobi coordinates along the propagation. In order to show the accuracy and efficiency of the coordinate transformation required when using reactant Jacobi coordinates, as recently proposed [ J. Chem. Phys. 2006 , 125 , 054102 ], the method is first applied to the H + D(2) reaction as a benchmark, for which exact time-independent calculations are also performed. It is found that the use of reactant coordinates yields accurate results, with a computational effort slightly lower than that when using product coordinates. The H(+) + D(2) reaction, with the same masses but a much deeper insertion well, is also studied and exhibits a completely different mechanism, a complex-forming one which can be treated by statistical methods. Due to the longer range of the potential, product Jacobi coordinates are more efficient in this case. Differential cross sections for individual final rotational states of the products are obtained based on exact dynamical calculations for some selected total angular momenta, combined with the random phase approximation to save the high computational time required to calculate all partial waves with very long propagations. The results obtained are in excellent agreement with available exact time-independent calculations. Finally, the method is applied to the Li + HF system for which reactant coordinates are very well suited, and quantum differential cross sections are not available. The results are compared with recent quasiclassical simulations and experimental results [J. Chem. Phys. 2005, 122, 244304]. Furthermore, the polarization of the product angular momenta is also analyzed as a function of the scattering angle.

A density-division embedding potential inversion technique.

A new method is proposed to partition the density of a system in two portions. The density on each subsystem is the solution of a Fock equation modified by the addition of an embedding potential. This embedding potential is obtained iteratively by minimizing the difference between the electronic densities of the total system and the sum of the subsystems. Thus, the electronic density partition and the embedding potential are obtained at the same time within the procedure, guaranteeing the v-representability of the densities partitioned. This fact is a considerable improvement of a recently proposed embedding potential inversion technique, [O. Roncero, M. P. de Lara-Castells, P. Villarreal, F. Flores, J. Ortega, M. Paniagua, and A. Aguado, J. Chem. Phys. 129, 184104 (2008)], in which the embedding potential is obtained once the electronic density is previously partitioned. The method is first applied to a linear H(10) chain to illustrate how it works. The orbitals obtained are localized on each subsystem, and can be used to include local electronic correlation with currently available ab initio programs. Finally, the method is applied to include the electronic correlation needed to describe the van der Waals interaction between H(10) chains and H(2) molecules, of approximately 12 meV, giving very accurate results.

First Report of Fusarium Wilt Caused by Fusarium oxysporum on Strawberry in Spain.

In the spring of 2007, wilted and dead strawberry plants (Fragaria × ananassa Duch. cvs. Camarosa and Ventana) were observed in a soilless culture system in Huelva, southwestern Spain. Approximately 8% of the plants in the field died. Isolations from necrotic crowns and roots and necrotic flowers were made on potato dextrose agar after disinfestation in 0.6% NaOCl for 30 s. Colonies with light purple mycelia and beige or orange reverse colony colors developed after 9 days of incubation at 25°C. Colonies produced abundant microconidia, macroconidia, and chlamydospores. Microconidia were hyaline and oval-ellipsoid to cylindrical (5.9 to 9.2 × 2.1 to 3.4 µm). Macroconidia were 3 to 5 septate and fusoid-subulate with a pedicellate base (28.8 to 37.3 × 3.2 to 4.3 µm). Morphology and growth matched descriptions of Fusarium oxysporum Schlechtend emend. Snyder & Hansen (2). A PCR assay for amplification of r-DNA using primers PFO2 and PFO3 established the identity of the isolate as F. oxysporum (1). To confirm the pathogenicity of the fungus, roots of 30-day-old strawberry cvs. Camarosa and Ventana (20 plants each) were inoculated by dipping the roots into a conidial suspension (107 conidia per ml) for 15 min. The inoculated plants were transplanted into plastic pots containing sterilized peat and maintained at 25°C and 100% relative humidity in a growth chamber with a daily 12-h photoperiod of fluorescent light. The pathogenicity test was conducted twice. Within 30 days, all inoculated plants developed wilt symptoms similar to that observed in the field and eventually 75% of the plants died. No symptoms were observed on plants dipped in distilled water. The fungus was successfully reisolated from crowns, roots, and necrotic flowers, fulfilling Koch's postulates. To our knowledge, this is the first report of the occurrence of Fusarium wilt caused by F. oxysporum on strawberry plants in Spain. References: (1) V. Edel et al. Mycol. Res. 104:518, 2000. (2) W. C. Snyder and H. N. Hansen. Am. J. Bot. 27:64, 1940.

Isolation and characterization of human gingival microvascular endothelial cells.

BACKGROUND AND OBJECTIVE: Endothelial cells have a substantial role in maintaining vascular homeostasis, and their dysregulation can contribute to the development of pathology. The plasminogen activators and their inhibitors may, arguably, be the single most important proteolytic system of the endothelium for vascular maintenance by controlling plasminogen activation and other proteolytic cascades that impact on clotting, hemodynamics, angiogenesis and the character of the vascular wall. In chronic periodontal disease, significant changes to the microvasculature occur in association with the severity of the disease. Investigation of the role played by endothelial cells in periodontal health and disease has been limited to in situ immunolocalization or to the use of endothelial cells of nongingival origin, such as human umbilical vein endothelial cells. The objective of this research was to establish a replicable protocol for isolating microvascular endothelial cells from the gingiva. MATERIAL AND METHODS: From inflamed gingiva, isolated cells were characterized by morphology, the expression of factor VIII-related antigen, the expression of UEA-1 ligand, the uptake of acetylated low-density lipoprotein, network formation on Matrigel, and by the expression levels of urokinase plasminogen activator, tissue plasminogen activator, plasminogen activator inhibitor-1 and collagen IV. RESULTS AND CONCLUSION: Gingival endothelial cells were most readily obtained from inflamed gingival tissues, and these endothelial cells, when isolated by the protocol established herein, demonstrated endothelial characteristics and constitutively secreted plasminogen activators and plasminogen activator inhibitor-1 in culture.

An inversion technique for the calculation of embedding potentials.

A new embedding method to include local correlation in large systems is proposed. In this method the density of the whole system, calculated via density functional theory approaches, is partitioned in two pieces, one corresponding to the subsystem of interest and the rest to the environment. In the second step, an embedding potential is obtained iteratively using as a driving force the self-repulsion due to the density difference, in a similar form as proposed by Zhao et al. [Phys. Rev. A 50, 2138 (1994)], to obtain the "exact" exchange-correlation functional. Such potential is added to the Fock equation to build the localized molecular orbitals which are further used to include the local electronic correlation in the subsystem of interest. This method is an alternative to the previous DFT-based embedding methods first proposed by Wesolowski and Washell [J. Phys. Chem. 97, 8050 (1993)] and after enhanced by Govind et al. [J. Chem. Phys. 110, 7677 (1999)] and adapted to metal extended systems, which use density functionals to describe the kinetic energy contribution to the embedding potential, whose precise form has been largely treated in the literature and its crucial role is discussed here. The method is applied to hydrogen chains and its van der Waals interaction with H(2). The results obtained are in very good agreement with exact calculations performed on the whole system, which demonstrates that the method proposed is a very promising route to introduce correlation in large systems.

Revisión temática: variantes anatómicas de unión de conducto pancreático principal y colédoco distal intrapancreático (AUBP) / Thematic Review: Anatomical Variants Of The Junction Of The Main Pancreatic Duct And Intrapancreatic Distal Common Duct (AUBP)

La unión biliopancreática anómala es una malformación congénita caracterizada por un canal común pancreatobiliar largo queimpide el adecuado funcionamiento del esfínter de Oddi. El conducto colédoco (CC) y el conducto pancreático principal (CPP) sondos estructuras anatómicas tubulares de naturaleza fibromuscular que drenan la bilis y las secreciones pancreáticas, respectivamente, en la cara posterolateral de la segunda porción del duodeno mediante un orificio llamado carúncula o papila mayor.En la mayoría de los casos, los conductos se dilatan conformando una cavidad que se conoce como Ampolla de Váter, que protruyeen la cara luminal de la pared duodenal con aspecto de bulbo. El objetivo de este artículo es la descripción de las anomalías de launión biliopancreática y actualización de las mismas. (AU)

Anomalous biliopancreatic junction is a congenital malformation characterized by a long common pancreaticobiliary duct thatprevents the proper functioning of the sphincter of Oddi. The common bile duct (CC) and the main pancreatic duct (PPC) are twotubular anatomical structures of fibromuscular nature that drain bile and pancreatic secretions, respectively, into the posterolateralaspect of the second portion of the duodenum through an orifice called the caruncle or major papilla. In most cases, the ducts dilateforming a cavity known as the Ampulla of Vater, which protrudes into the luminal aspect of the duodenal wall with the appearanceof a bulb. The aim of this article is to describe the anomalies of the biliopancreatic junction and to update them. (AU)

[Evaluation of budget design and execution, an instrument of performance-based budgeting: some experiences applied to health]. / Evaluaciones de diseño y ejecución presupuestal, un instrumento del presupuesto por resultados: algunas experiencias aplicadas en salud.

Since 2008, the evaluation of budget design and execution (EDEP for its acronym in Spanish) - one of the evaluations tools developed by the Peruvian Ministry of Economy and Finance (MEF) as part of the implementation of Performance Budgeting- seek to provide reliable information about design coherence and progress in the implementation of public interventions, in order to improve their management and make informed budget decisions. The EDEP methodology includes preparing an evaluation report and defining a matrix of commitments to improve performance. Commitments are defined based on the recommendation of the EDEP. The EDEP seeks to correct exiting problems in public programs and optimize their results. MEF tracks the fulfillment of these commitments and links together the analysis of public budget requests and the progress of these commitments. Now, almost 10 years after its implementation, 57 EDEP have been carried out in different sectors and 07 of them are related to health interventions such as: the comprehensive health system, vaccination service, normal births, acute respiratory infections and acute diarrheal diseases, among others. Beyond the discrepancies in the application of this tool, the EDEP and its matrix of commitments have allowed the use of the results of the evaluations and have become a mechanism to generate useful information to improve the public services.

Desde sus inicios en el año 2008, las evaluaciones de diseño y ejecución presupuestal (EDEP), uno de los instrumentos desarrollados por el Ministerio de Economía y Finanzas (MEF) en el marco de la implementación del presupuesto por resultados (PpR), buscan proporcionar información confiable acerca de la consistencia en el diseño y los avances en la implementación de las intervenciones públicas, con el fin de mejorar su gestión y tomar decisiones presupuestales informadas. Adicionalmente, las recomendaciones de las EDEP se traducen en una matriz de compromisos de mejora de desempeño, la cual constituye el medio a través del cual se materializan e incorporan las mejoras identificadas a la operación de las intervenciones evaluadas, con miras a optimizar sus resultados. El MEF realiza el seguimiento a la atención de estos compromisos y condiciona la revisión de solicitudes de recursos presupuestales de las entidades públicas al cumplimiento de estos compromisos. A casi 10 años de su implementación, se han realizado 57 EDEP de diferentes sectores, de las cuales siete están relacionadas a intervenciones en salud, entre las que se incluyen: el Sistema Integral de Salud, el servicio de vacunación, atención a partos normales, atención de infecciones respiratorias agudas y enfermedades diarreicas agudas. Más allá de las discrepancias en torno a la aplicación de este instrumento, las EDEP y sus matrices de compromisos han permitido la utilización de los resultados de las evaluaciones y se han convertido en un mecanismo para generar información válida que permita mejorar los servicios públicos en favor de la población.

¿Cómo prevenir el dolor de hombro en baloncesto en silla de ruedas? / How to Prevent Shoulder Pain in Wheelchair Basketball?

Las lesiones del hombro suponen un problema en el baloncesto en silla de ruedas (BSR). El objetivo de este estudio fue determinar la eficacia de un programa de ejercicio para el dolor del hombro en jugadoras de máximo nivel de BSR para tras 12 semanas de intervención a lo largo del proceso preparatorio de una competición internacional. Participaron 13 jugadoras de BSR de la Pre-Selección Española Femenina (edad 26.6 ±6.1 años), respondiendo a un cuestionario de DH antes y después del programa de ejercicio, evaluando también el rango de movimiento (RM) y aplicando pruebas funcionales. El DH se redujo significativamente después de la intervención (Z=-2.93, p≤0.05, d=0.67), pero sin cambios significativos ni en las pruebas funcionales (p≥0.05) ni en el RM (p≥0.05). El programa de ejercicio resultó efectivo para la reducción del DH durante el proceso de preparación, lo que influyó de manera positiva en rendimiento deportivo de las jugadoras. (AU)

Shoulder injuries are a problem in wheelchair basketball (WB). The objective of this study was to determine the effectiveness of a 12 weeks exercise program for shoulder pain (SP) prevention in elite WB players throughout the preparatory process of an international competition. 13 WB players from the Spanish Women's Pre-Selection (age 26.6 ± 6.1 years) participated in the study. The SP questionnaire was applied before and after the exercise program, as well as functional tests and range of motion (ROM). SP was reduced significantly after the intervention (Z = -2.93, p≤0.05, d = 0.67). However, there were no significant changes based on the data related to functional tests (p≥0.05) and ROM (p≥0.05). The exercises program used was effective in reducing SP during the sports preparation process, which positively influenced players´ sport performance. (AU)

Is the gas-phase OH+H2CO reaction a source of HCO in interstellar cold dark clouds? A kinetic, dynamic and modelling study.

Chemical kinetics of neutral-neutral gas-phase reactions at ultralow temperatures is a fascinating research subject with important implications on the chemistry of complex organic molecules in the interstellar medium (T∼10-100K). Scarce kinetic information is currently available for this kind of reactions at T<200 K. In this work we use the CRESU (Cinétique de Réaction en Ecoulement Supersonique Uniforme, which means Reaction Kinetics in a Uniform Supersonic Flow) technique to measure for the first time the rate coefficients (k) of the gas-phase OH+H2CO reaction between 22 and 107 K. k values greatly increase from 2.1×10-11 cm3 s-1 at 107 K to 1.2×10-10 cm3 s-1 at 22 K. This is also confirmed by quasi-classical trajectories (QCT) at collision energies down to 0.1 meV performed using a new full dimension and ab initio potential energy surface, recently developed which generates highly accurate potential and includes long range dipole-dipole interactions. QCT calculations indicate that at low temperatures HCO is the exclusive product for the OH+H2CO reaction. In order to revisit the chemistry of HCO in cold dense clouds, k is reasonably extrapolated from the experimental results at 10K (2.6×10-10 cm3 s-1). The modeled abundances of HCO are in agreement with the observations in cold dark clouds for an evolving time of 105-106 yrs. The different sources of production of HCO are presented and the uncertainties in the chemical networks discussed. This reaction can be expected to be a competitive process in the chemistry of prestellar cores. The present reaction is shown to account for a few percent of the total HCO production rate. Extensions to photodissociation regions and diffuse clouds environments are also commented.

Trans-cis molecular photoswitching in interstellar Space.

As many organic molecules, formic acid (HCOOH) has two conformers (trans and cis). The energy barrier to internal conversion from trans to cis is much higher than the thermal energy available in molecular clouds. Thus, only the most stable conformer (trans) is expected to exist in detectable amounts. We report the first interstellar detection of cis-HCOOH. Its presence in ultraviolet (UV) irradiated gas exclusively (the Orion Bar photodissociation region), with a low trans-to-cis abundance ratio of 2.8 ± 1.0, supports a photoswitching mechanism: a given conformer absorbs a stellar photon that radiatively excites the molecule to electronic states above the interconversion barrier. Subsequent fluorescent decay leaves the molecule in a different conformer form. This mechanism, which we specifically study with ab initio quantum calculations, was not considered in Space before but likely induces structural changes of a variety of interstellar molecules submitted to UV radiation.

Ionization fraction and the enhanced sulfur chemistry in Barnard 1.

CONTEXT: Barnard B1b has revealed as one of the most interesting globules from the chemical and dynamical point of view. It presents a rich molecular chemistry characterized by large abundances of deuterated and complex molecules. Furthermore, it hosts an extremely young Class 0 object and one candidate to First Hydrostatic Core (FHSC) proving the youth of this star forming region. AIMS: Our aim is to determine the cosmic ray ionization rate, [Formula: see text], and the depletion factors in this extremely young star forming region. These parameteres determine the dynamical evolution of the core. METHODS: We carried out a spectral survey towards Barnard 1b as part of the IRAM Large program ASAI using the IRAM 30-m telescope at Pico Veleta (Spain). This provided a very complete inventory of neutral and ionic C-, N- and S- bearing species with, up to our knowledge, the first secure detections of the deuterated ions DCS+ and DOCO+. We use a state-of-the-art pseudo-time-dependent gas-phase chemical model that includes the ortho and para forms of [Formula: see text] and [Formula: see text] to determine the local value of the cosmic ray ionization rate and the depletion factors. RESULTS: Our model assumes n(H2)=105 cm-3 and T k =12 K, as derived from our previous works. The observational data are well fitted with ζH2 between 3×10-17 s-1 and 10-16 s-1, and the following elemental abundances: O/H=3 10-5, N/H=6.4-8 10-5, C/H=1.7 10-5 and S/H between 6.0 10-7 and 1.0 10-6. The large number of neutral/protonated species detected, allows us to derive the elemental abundances and cosmic ray ionization rate simultaneously. Elemental depletions are estimated to be ~10 for C and O, ~1 for N and ~25 for S. CONCLUSIONS: Barnard B1b presents similar depletions of C and O than those measured in pre-stellar cores. The depletion of sulfur is higher than that of C and O but not as extreme as in cold cores. In fact, it is similar to the values found in some bipolar outflows, hot cores and photon-dominated regions. Several scenarios are discussed to account for these peculiar abundances. We propose that it is the consequence of the initial conditions (important outflows and enhanced UV fields in the surroundings) and a rapid collapse (~0.1 Myr) that permits to maintain most S- and N-bearing species in gas phase to great optical depths. The interaction of the compact outflow associated with B1b-S with the surrounding material could enhance the abundances of S-bearing molecules, as well.

Role of COX-2-derived PGE2 on vascular stiffness and function in hypertension.

BACKGROUND AND PURPOSE: Prostanoids derived from COX-2 and EP receptors are involved in vascular remodelling in different cardiovascular pathologies. This study evaluates the contribution of COX-2 and EP1 receptors to vascular remodelling and function in hypertension. EXPERIMENTAL APPROACH: Spontaneously hypertensive rats (SHR) and angiotensin II (AngII)-infused (1.44 mg · kg(-1) · day(-1), 2 weeks) mice were treated with the COX-2 inhibitor celecoxib (25 mg · kg(-1) · day(-1) i.p) or with the EP1 receptor antagonist SC19220 (10 mg · kg(-1) · day(-1) i.p.). COX-2(-/-) mice with or without AngII infusion were also used. KEY RESULTS: Celecoxib and SC19220 treatment did not modify the altered lumen diameter and wall : lumen ratio in mesenteric resistance arteries from SHR-infused and/or AngII-infused animals. However, both treatments and COX-2 deficiency decreased the augmented vascular stiffness in vessels from hypertensive animals. This was accompanied by diminished vascular collagen deposition, normalization of altered elastin structure and decreased connective tissue growth factor and plasminogen activator inhibitor-1 gene expression. COX-2 deficiency and SC19220 treatment diminished the increased vasoconstrictor responses and endothelial dysfunction induced by AngII infusion. Hypertensive animals showed increased mPGES-1 expression and PGE2 production in vascular tissue, normalized by celecoxib. Celecoxib treatment also decreased AngII-induced macrophage infiltration and TNF-α expression. Macrophage conditioned media (MCM) increased COX-2 and collagen type I expression in vascular smooth muscle cells; the latter was reduced by celecoxib treatment. CONCLUSIONS AND IMPLICATIONS: COX-2 and EP1 receptors participate in the increased extracellular matrix deposition and vascular stiffness, the impaired vascular function and inflammation in hypertension. Targeting PGE2 receptors might have benefits in hypertension-associated vascular damage.

Methionine synthase reductase deficiency (CblE): A report of two patients and a novel mutation.

IMPORTANCE: Functional methionine synthase reductase deficiency, also known as cobalamin E disorder, is a rare autosomal recessive inherited disease that results in an impaired remethylation of homocysteine to methionine. It presents with macrocytic anemia, hyperhomocysteinemia, and hypomethioninemia, and may also be accompanied with neurological impairment. CLINICAL PRESENTATION: We describe two new cases of unrelated girls with megaloblastic anemia misclassified at first as congenital dyserythropoietic anemia with development of neurologic dysfunction in one of them. INTERVENTION: The posterior finding of biochemical features (hyperhomocysteinemia and hypomethioninemia) focused the diagnosis on the inborn errors of intracellular vitamin B12. Subsequent molecular analysis of the methionine synthase reductase (MTRR) gene revealed compound heterozygosity for a transition c.1361C > T (p.Ser454Leu) and another, not yet described in literature, c.1677-1G > A (p.Glu560fs) in one patient, and a single homozygosis mutation, c.1361C > T (p.Ser545Leu) in the other one. These mutations confirmed the diagnosis of cobalamin E deficiency. CONCLUSION: Treatment with hydroxocobalamin in combination with betaine appears to be useful for hematological improvement and prevention of brain disabilities in CblE-affected patients. Our study widens the clinical, molecular, metabolic, and cytological knowledge of deficiency MTRR enzyme.

Comorbilidad y síntomas digestivos asociados a depresión en pacientes mayores de 60 años / Gastrointestinal comorbidity and symptoms associated with depression in patients aged over 60 years

OBJETIVO: Conocer la prevalencia de enfermedades y síntomas digestivos asociados a la depresión. MATERIAL Y MÉTODOS: Estudio observacional transversal en atención primaria. Sujetos: todas las personas de 60 años o más con diagnóstico activo en 2017 de depresión del centro (N=2.312), comparados con los pacientes atendidos de igual edad sin depresión (N=11.049). Variables: edad, sexo, códigos de síntomas y diagnósticos de enfermedades crónicas digestivas. Fuente: historia clínica informatizada. Se ha calculado las prevalencias en ambos grupos, el odds ratio (OR) e intervalo de confianza (IC) del 95% para los principales diagnósticos y síntomas digestivos. RESULTADOS: El 38,0% de pacientes con depresión tiene alguna enfermedad digestiva crónica, el 64,7% algún síntoma y el 74,7% algún diagnóstico o síntoma digestivo. Los diagnósticos con OR significativo con relación a los pacientes sin depresión son: síndrome de intestino irritable OR: 2,0 (IC 95%: 1,51-2,64), anomalía congénita digestiva 1,83 (1,17-2,86), úlceras pépticas 1,75 (1,28-2,40), enfermedad diverticular 1,73 (1,52-1,97), colecistitis/colelitiasis 1,59 (1,36-1,86), hepatopatía 1,55 (1,32-1,82), hepatitis vírica 1,50 (1,12-2,02), enfermedades esofágicas 1,45 (1,24-1,69). Los síntomas con OR significativo son: anorexia 2,81 (1,75-4,50), náuseas/vómitos 2,19 (1,79-2,67), estreñimiento 1,96 (1,77-2,18), flatulencia 1,78 (1,48-2,14), disfagia 1,72 (1,30-2,28), dolor abdominal 1,69 (1,57-1,82), dispepsia 1,56 (1,30-1,87) y acidez 1,55 (1,26-1,92). CONCLUSIONES: La comorbilidad digestiva es muy frecuente en pacientes mayores de 60 años con depresión, hasta tres cuartos presentan enfermedades o síntomas digestivos. Las enfermedades más asociadas son el síndrome del intestino irritable, anomalías congénitas, otras úlceras pépticas y enfermedad diverticular. Los síntomas con mayor asociación son anorexia, náuseas/vómitos, estreñimiento, flatulencia, disfagia, dolor abdominal, dispepsia y acidez

OBJECTIVE: A study was carried out on the prevalence of gastrointestinal diagnoses and symptoms associated with depression. MATERIAL AND METHODS: A cross-sectional observational study was conducted in Primary Care in 2017. All patients aged 60 years or more with depression were included from the health care centre (N=2312), and were compared to the total patients that visited the centre from the same age group without depression (N=11049). The variables collected were age, gender and the codes for gastrointestinal symptoms and chronic conditions. These were obtained from the computerised medical files. The prevalence was calculated for both groups, and included the odds ratio (OR) and 95% confidence interval (CI). RESULTS: More than one-third (38.0%) of patients with depression have chronic gastrointestinal diseases, 64.7% have gastrointestinal symptoms, and 74.7% have either of them. The conditions with strongest associations are: irritable bowel syndrome OR: 2.00 (95% CI: 1.51-2.64), congenital anomaly 1.83 (1.17-2.86), other peptic ulcers 1.75 (1.28-2.40), diverticular disease 1.73 (1.52-1.97), cholecystitis/cholelithiasis 1.59 (1.36-1.86), liver disease 1.55 (1.32-1.82), viral hepatitis 1.50 (1.12-2.02), and oesophageal diseases 1.45 (1.24-1.69). Symptoms with a statistically significant OR were: anorexia 2.81 (1.75-4.50), nausea/vomiting 2.19 (1.79-2.67), constipation 1.96 (1.77-2.18), flatulence 1.78 (1.48-2.14), dysphagia 1,72 (1.30-2.28), abdominal pain 1.69 (1.57-1.82), dyspepsia 1.56 (1.30-1.87), and heartburn 1.55 (1.26-1.92). CONCLUSIONS: Gastrointestinal comorbidity is very common in patients over 60 years-old with depression. Three-quarters of the patients have chronic gastrointestinal diseases or symptoms. The conditions with strongest associations are irritable bowel syndrome, congenital anomalies, other peptic ulcers, and diverticular disease. The symptoms with strongest associations are anorexia, nausea/vomiting, constipation, flatulence, dysphagia, abdominal pain, dyspepsia, and heartburn