Towards 2D Borane Chemistry in Hexagonal Cyclic Compounds.

A comprehensive comparison between known benzene mono-substituted compounds R-Ph and the corresponding isoelectronic unknown R-cyclohexaborane(12) molecules is carried out from a geometric and electronic structure point of view, with R={H, BH2, CH3, NH2, OH, F ; AlH2, SiH3, PH2, SH, Cl ; NO2, OCH3}. We suggest new chemical names for the 2D borane compounds and analyze the geometric and electronic structure carbon vs. boron comparatives by means of HOMO-LUMO gaps, bonding schemes, electron density topological properties and predicted NMR chemical shifts. The predictions on the properties in planar hexagonal cyclic boranes may help in the design of synthesis procedures for these yet-unkown compounds.

Depression and anxiety in systemic lupus erythematosus: A case-control study on prevalence and associated factors in a single-center cohort.

OBJECTIVES: To evaluate the prevalence of self-perceived depression and anxiety in patients with systemic lupus erythematosus (SLE) and to explore associated factors. METHODS: Cross-sectional study of unselected patients with SLE (ACR-97 criteria) and controls with chronic inflammatory rheumatic diseases. Both completed the Hospital Anxiety and Depression Scale (HADS). Demographic and clinical characteristics, comorbidity, and treatments were collected, and a multivariate analysis was performed to explore factors associated with depression and anxiety in SLE. RESULTS: The study population comprised 172 patients and 215 controls. Women accounted for 93% of the patients with SLE. Fibromyalgia was recorded in 12.8% and a history of depression in 17%. According to HADS, 37.2% fulfilled the diagnostic criteria for depression and 58.7% those for anxiety; prevalence was similar in the controls (32.6% and 55.1%, respectively). Up to a third of patients with self-perceived depression were not receiving antidepressants. There was no concordance between a previous history of depression and current depression. In the multivariate model, current depression was associated with single marital status (OR 2.69; 95% CI: 1.17-6.42; p = .022), fibromyalgia (7.69; 2.35-30.72; p = .001), smoking (3.12; 1.24-8.07; p = .016), severity of SLE (0.76; 0.6-0.94; p = .016), and organ damage (1.27; 1.01-1.61; p = .042). Current anxiety was only associated with fibromyalgia (3.97; 1.21-17.98; p = .036). CONCLUSIONS: Depression and anxiety are most likely underdiagnosed in SLE. Prevalence appears to be similar to that of other chronic inflammatory rheumatic diseases. Anxiety is associated with fibromyalgia, while depression is also associated with single marital status, smoking, organ damage, and severity of SLE.

Insight into polyproline II helical bundle stability in an antifreeze protein denatured state.

The use of polyproline II (PPII) helices in protein design is currently hindered by limitations in our understanding of their conformational stability and folding. Recent studies of the snow flea antifreeze protein (sfAFP), a useful model system composed of six PPII helices, suggested that a low denatured state entropy contributes to folding thermodynamics. Here, circular dichroism spectroscopy revealed minor populations of PPII like conformers at low temperature. To get atomic level information on the conformational ensemble and entropy of the reduced, denatured state of sfAFP, we have analyzed its chemical shifts and {1H}-15N relaxation parameters by NMR spectroscopy at four experimental conditions. No significant populations of stable secondary structure were detected. The stiffening of certain N-terminal residues at neutral versus acidic pH and shifted pKa values leads us to suggest that favorable charge-charge interactions could bias the conformational ensemble to favor the formation the C1-C28 disulfide bond during nascent folding, although no evidence for preferred contacts between these positions was detected by paramagnetic relaxation enhancement under denaturing conditions. Despite a high content of flexible glycine residues, the mobility of the sfAFP denatured ensemble is similar for denatured α/ß proteins both on fast ps/ns as well as slower µs/ms timescales. These results are in line with a conformational entropy in the denatured ensemble resembling that of typical proteins and suggest that new structures based on PPII helical bundles should be amenable to protein design.

Seguimiento de la dieta mediterránea en los restaurantes de Gran Canaria: el Proyecto AMED en Canarias / Adherence to Mediterranean Diet in restaurants in Gran Canaria: AMED Project in the Canary Islands

Objetivo: Evaluar la adherencia a la dieta mediterránea en los menús de los restaurantes de la isla de Gran Canaria (España) y observar la relación entre los diferentes ingredientes de la misma en la elaboración de platos. Diseño: Se realizó un estudio descriptivo mediante una encuesta de trece preguntas (encuesta del grupo AMED -Alimentación Mediterránea-), donde se recogen los principales ingredientes que conforman la Dieta Mediterránea (aceite de oliva, verduras, hortalizas, etc.); con el fin de categorizar a los restaurantes según su seguimiento de dicha dieta, según el baremo diseñado. Muestra: 101 restaurantes de la isla de Gran Canaria (principalmente de Las Palmas de Gran Canaria, Telde y Mancomunidad del Sureste) que ofertan en días laborales menús consistentes en dos primeros platos, dos segundos platos y postre. Resultados: Más de la mitad de los restaurantes son regulares seguidores de la dieta mediterránea, siendo buenos apenas un 22% de los mismos. Existe relación entre el mayor empleo de aceite de oliva para cocinar las preparaciones culinarias y la mayor oferta de productos integrales (pan, pasta o arroz) en los restaurantes (p = 0,028) no encontrándose relación lineal entre las mismas. Conclusión: Los restaurantes de Gran Canaria son mayoritariamente (54%) regulares seguidores de la Dieta Mediterránea, existiendo un 22% de buenos seguidores(AU)

Objectives: To evaluate adherente to the Mediterranean diet on restaurant menus on the island of Gran Canaria (Spain) and observe the relationship between the various ingredients of the same in preparing dishes. Design: We conducted a survey of thirteen questions (the questionnaire AMED-Mediterranean Food), which contains the main ingredients that make up the Mediterranean Diet (olive oil, vegetables, fruits, etc.) in order to categorize the restaurant and monitoring the Mediterranean Diet. Setting: 101 restaurant from the island of Gran Canaria (mainly from Las Palmas de Gran Canaria, Telde and Southeastern Area) that offer a menu for working days composed at least by two first dishes, two main courses and dessert. Results: More than half of the restaurants are average followers of the Mediterranean diet, being good just 22% of them. There was a relationship between the use of olive oil for cooking the meals and the offer of whole grain products (bread, pasta or rice) in restaurants (p=0028), without a linear relationship between them. Conclusion: The restaurants of Gran Canaria (54%) are mostly average followers of the Mediterranean Diet, with a 22% of good supporters(AU)