Hydrogen bonding interactions in fluorinated 1,2,3-triazole derivatives

The study of the intra- and intermolecular interactions in the solid state of four related fluorine-containing 1,2,3-triazole derivatives (1: R = -H,2: R = -NO2,3: R = -CH3,4: R = -Cl) was carried out using quantum chemical calculations, vibrational (IR and Raman) and solid phase UV-vis spectroscopy, and single-crystal X-ray diffraction methods. The enol-keto/keto-enol tautomerism on theo-hydroxyacetophenone moiety was analyzed in terms of the synergy between O-H⋯O intramolecular hydrogen bond strengthening and the enhancement of π delocalization within the pseudo ring. The preference of the enol-keto form was attributed to the aromatic stabilization energy. The proton in the triazole ring was located on the intermediate nitrogen atom, with no evidence of prototropy in the studied series. Compounds1and4have similar structural motifs with N-H⋯O hydrogen bonds connecting amino and carbonyl groups of neighboring molecules in a chain along thea-axis. For2, it was found that both oxygen atoms of the nitro substituent participate as acceptors, connecting adjacent molecules by hydrogen bonds through the N-H and O-H groups. In compound3, the crystallization water molecule dominates the hydrogen bonding interactions, which associates three molecules of3, giving rise to a three-dimensional H-bonding network. These intra and intermolecular interactions, which affect the absorption band locations of the involved groups, were also detected in the vibrational spectra of the studied triazoles.Fil: Espitia Cogollo, Edeimis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Piro, Oscar Enrique. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; ArgentinaFil: Echeverría, Gustavo Alberto. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; ArgentinaFil: Tuttolomondo, María Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; ArgentinaFil: Perez, Hiram. Universidad de La Habana; CubaFil: Jios, Jorge Luis. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; Argentina. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas; ArgentinaFil: Ulic, Sonia Elizabeth. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina. Universidad Nacional de Luján. Departamento de Ciencias Básicas; Argentin

Lung Cytokines and Systemic Inflammation in Patients with COPD

Rationale: Chronic obstructive pulmonary disease (COPD) is characterized by lung and systemic inflammation. The role of cytokines in local and systemic inflammation in COPD is not well understood. This study aimed to compare plasma and bronchoalveolar lavage (BAL) fluid cytokine levels in COPD and non-COPD subjects with the intent of better understand their potential roles in driving local and systemic inflammation. Methods: This cross-sectional study analyzed data from 65 subjects: 31 with COPD confirmed by spirometry and 34 non-COPD controls. All subjects underwent spirometry, plasma sample collection, and bronchoscopy/BAL. Levels of 21 inflammatory cytokines were measured in the plasma (systemic inflammation) and BAL (lung inflammation) using a multiplex assay. Results:COPD subjects were overall older (median age 59 vs 36; p = Conclusion: Elevated levels of cytokines were identified in the plasma of COPD subjects when compared to controls, supporting the role of these mediators as one of the mechanisms of systemic inflammation in COPD. In contrast, lung cytokines were not elevated suggesting that inflammation in the setting of COPD may not originate and/or perpetuate in the lungs, or that the BAL fluid is not an optimal source of information when evaluating inflammation in COPD. Although the role of these cytokines remains uncertain, anti-cytokine therapy might modulate inflammation in COPD and perhaps improve outcomes

La universidad humanista

Esta obra, titulada La universidad humanista, es fruto de la colaboración entre dos instituciones centenarias: la Universidad de Santiago de Compostela, una de las universidades más antiguas de España que ofrece educación superior desde 1495 y la Universidad Autónoma del Estado de México, heredera del Instituto Científico y Literario Autónomo, fundado en 1828, a escasos siete años de que México naciera como entidad política independiente. Ambas instituciones, con un pasado muy diferente, se encuentran hermanadas por la misma vocación de futuro y las preocupaciones propias de las universidades del siglo XXI.Universidad Autónoma del Estado de México y Universidad de Santiago de Compostel

Effect of Zephyr Endobronchial Valves on Dyspnea, Activity Levels, and Quality of Life at One Year Results from a Randomized Clinical Trial

Rationale: Bronchoscopic lung volume reduction with Zephyr Valves improves lung function, exercise tolerance, and quality of life of patients with hyperinflated emphysema and little to no collateral ventilation. Objectives: Post hoc analysis of patient-reported outcomes (PROs), including multidimensional measures of dyspnea, activity, and quality of life, in the LIBERATE (Lung Function Improvement after Bronchoscopic Lung Volume Reduction with Pulmonx Endobronchial Valves used in Treatment of Emphysema) study are reported. Methods: A total of 190 patients with severe heterogeneous emphysema and little to no collateral ventilation in the target lobe were randomized 2:1 to the Zephyr Valve or standard of care. Changes in PROs at 12 months in the two groups were compared: dyspnea with the Transitional Dyspnea Index (TDI), focal score; the Chronic Obstructive Pulmonary Disease Assessment Test (CAT; breathlessness on hill/stairs); Borg; the EXAcerbations of Chronic pulmonary disease Tool-PRO, dyspnea domain; activity with the TDI, magnitude of task/effort/functional impairment, CAT (limited activities), and the St. George's Respiratory Questionnaire (SGRQ), activity domain; and psychosocial status with the SGRQ, impacts domain, and CAT (confidence and energy). Results: At 12 months, patients using the Zephyr Valve achieved statistically significant and clinically meaningful improvements in the SGRQ; CAT; and the TDI, focal score, compared with standard of care. Improvements in the SGRQ were driven by the impacts and activity domains (P, 0.05 and P, 0.001, respectively). Reduction in CAT was through improvements in breathlessness (P, 0.05), energy level (P, 0.05), activities (P, 0.001), and increased confidence when leaving home (P, 0.05). The TDI measures of effort, task, and functional impairment were uniformly improved (P, 0.001). The EXAcerbations of Chronic Pulmonary Disease Tool (EXACT)-PRO, dyspnea domain, was significantly improved in the Zephyr Valve group. Improvements correlated with changes in residual volume and residual volume/TLC ratio. Conclusions: Patients with severe hyperinflated emphysema achieving lung volume reductions with Zephyr Valves experience improvements in multidimensional scores for breathlessness, activity, and psychosocial parameters out to at least 12 months

Oseltamivir-Resistant Pandemic (H1N1) 2009 Virus, Mexico

During May 2009–April 2010, we analyzed 692 samples of pandemic (H1N1) 2009 virus from patients in Mexico. We detected the H275Y substitution of the neuraminidase gene in a specimen from an infant with pandemic (H1N1) 2009 who was treated with oseltamivir. This virus was susceptible to zanamivir and resistant to adamantanes and oseltamivir

The Diverse Iron Distribution in Eudicotyledoneae Seeds: From Arabidopsis to Quinoa

Seeds accumulate iron during embryo maturation stages of embryogenesis. Using Arabidopsis thaliana as model plant, it has been described that mature embryos accumulate iron within a specific cell layer, the endodermis. This distribution pattern was conserved in most of the analyzed members from Brassicales, with the exception of the basal Vasconcellea pubescens that also showed elevated amounts of iron in cortex cells. To determine whether the V. pubescens iron distribution was indicative of a wider pattern in non-Brassicales Eudicotyledoneae, we studied iron distribution pattern in different embryos belonging to plant species from different Orders from Eudicotyledoneae and one basal from Magnoliidae. The results obtained indicate that iron distribution in A. thaliana embryo is an extreme case of apomorphic character found in Brassicales, not-extensive to the rest of Eudicotyledoneae

Enhancers in embryonic stem cells are enriched for transposable elements and genetic variations associated with cancers

Using an enhancer-associated epigenetic signature, we made genome-wide predictions of transcriptional enhancers in human B and T lymphocytes and embryonic stem cells (ES cells). We validated and characterized the predicted enhancers using four types of information, including overlap with other genomic marks for enhancers; association with cell-type-specific genes; enrichment of cell-type-specific transcription factor binding sites; and genetic polymorphisms in predicted enhancers. We find that enhancers from ES cells, but not B or T cells, are significantly enriched for DNA sequences derived from transposable elements. This may be due to the generally relaxed repressive epigenetic state and increased activity of transposable elements in ES cells. We demonstrate that the wealth of new enhancer sequences discerned here provides an invaluable resource for the functional annotation of gene-distal single nucleotide polymorphisms identified through expression quantitative trait loci and genome-wide association studies analyses. Notably, we find GWAS SNPs associated with various cancers are enriched in ES cell enhancers. In comparison, GWAS SNPs associated with diseases due to immune dysregulation are enriched in B and T cell enhancers