1,3,4-Oxadiazoles by Ugi-Tetrazole and Huisgen Reaction

Easy to perform, functional group tolerant, and short syntheses of the privileged scaffold oxadiazole are highly desired. Here, a metal-free protocol for MCR-based synthesis of 2,5-disubstituted 1,3,4-oxadiazoles via a Ugi-tetrazole/Huisgen sequence was developed. Optimization and scope and limitations of this short and general sequence are described. The reaction was also successfully performed on a gram scale

Human-macaque comparisons illuminate variation in neutral substitution rates

The evolutionary distance between human and macaque is particularly attractive for investigating neutral substitution rates, which were calculated as a function of a number of genomic parameters

Pd-Catalyzed de Novo Assembly of Diversely Substituted Indole-Fused Polyheterocycles

Here we describe a facile, tandem synthetic route for indolo[3,2-c]quinolinones, a class of natural alkaloid analogues of high biological significance. A Ugi four-component reaction with indole-2-carboxylic acid and an aniline followed by a Pd-catalyzed cyclization yields tetracyclic indoloquinolines in good to moderate yields. Commercially available building blocks yield highly diverse analogues in just two simple steps

An International Multi-center Study on Self-assessed and Family Quality of Life in Children with Atopic Dermatitis

Atopic dermatitis (AD) is a common childhood chronic inflammatory skin condition that greatly affects the quality of life (QoL) of affected children and their families. The aim of our study was to assess QoL and family QoL of children with AD from 4 different countries and then compare the data, evaluating the effects of AD severity and age of children. Data on the Children’s Dermatology Life Quality Index (CDLQI) and the Dermatitis Family Impact (DFI) questionnaires and the SCORAD index of 167 AD children 5-16 years old from Ukraine, Czech Republic, Singapore, and Italy was used for the study. SCORAD correlated with the CDLQI in all 4 countries and with DFI in all countries except Singapore. Only in Czech children did the CDLQI correlate with their age. No significant correlations between age and DFI results were found. AD symptoms and expenditures related to AD were highly scored in all countries. Impact of AD on friendship and relations between family members were among the lower scored items, and family problems did not increase proportionately with duration of AD in any of the four countries. Self-assessed health-related QoL of children with AD in our study correlated better in most cases with disease severity than family QoL results. Parents of school children with AD were generally less stressed, tired, and exhausted than parents of preschool children. These data together with results showing that duration of AD in children does not affect relations between parents and other family members is optimistic news for families with children with AD who did not recover until adolescence.</p

Identification of metastable states in peptide's dynamics

A recently developed spectral method for identifying metastable states in Markov chains is used to analyse the conformational dynamics of a four residue peptide Valine-Proline-Alanine-Leucine. We compare our results to empirically defined conformational states and show that the found metastable states correctly reproduce the conformational dynamics of the system

Genome-Wide Location Analysis Reveals Distinct Transcriptional Circuitry by Paralogous Regulators Foxa1 and Foxa2

Gene duplication is a powerful driver of evolution. Newly duplicated genes acquire new roles that are relevant to fitness, or they will be lost over time. A potential path to functional relevance is mutation of the coding sequence leading to the acquisition of novel biochemical properties, as analyzed here for the highly homologous paralogs Foxa1 and Foxa2 transcriptional regulators. We determine by genome-wide location analysis (ChIP-Seq) that, although Foxa1 and Foxa2 share a large fraction of binding sites in the liver, each protein also occupies distinct regulatory elements in vivo. Foxa1-only sites are enriched for p53 binding sites and are frequently found near genes important to cell cycle regulation, while Foxa2-restricted sites show only a limited match to the forkhead consensus and are found in genes involved in steroid and lipid metabolism. Thus, Foxa1 and Foxa2, while redundant during development, have evolved divergent roles in the adult liver, ensuring the maintenance of both genes during evolution.Institute for Diabetes, Obesity and Metabolism. Diabetes Research Center (Functional Genomics Core P30-DK19525

Ethyl biodiesels derived from non-edible oils within the biorefinery concept - Pilot scale production & engine emissions

Procedures and operating conditions optimized in laboratory scale for the production of ethyl biodiesels from non-edible vegetable oils (NEVOs) were successfully transferred at pilot scale, with implementation of separation and purification stages. The three NEVOs candidates are Balanites aegyptiaca (BA), Azadirachta indica (AI), and Jatropha curcas (JC), converted into BAEEs, AIEEs and JCEEs respectively via homogeneous catalysis. Quality specifications of the produced biofuels were used to explain pollutant emissions and engine performance observed via a power generator. Under the same conditions, blends of petrodiesel with crude BA or JC oil (50 wt.%) were also investigated. The selected overall methodology “feedstock-conversion-engine” led to the proposal of a sustainable alternative fuel. The candidate NEVO is BA oil to which the proposed alkali route should lead to a low cost biodiesel production process thanks to easy operating conditions, associated with a two-stage procedure (glycerol recycling) and a dry-purification method (rice husk ashes). Glycerol addition should be carried out at ambient temperature to play positively at phenomena occurring in the reacting medium (chemical kinetics, chemical equilibrium, phase equilibrium). Tests on power generator demonstrated that BAEEs led to cleaner combustion than petrodiesel, particularly for the most harmful emissions (light carbonyls and ultrafine particulate matter)

Dust and Gas in the Magellanic Clouds from the HERITAGE Herschel Key Project. II. Gas-to-Dust Ratio Variations across ISM Phases

The spatial variations of the gas-to-dust ratio (GDR) provide constraints on the chemical evolution and lifecycle of dust in galaxies. We examine the relation between dust and gas at 10-50 pc resolution in the Large and Small Magellanic Clouds (LMC and SMC) based on Herschel far-infrared (FIR), H I 21 cm, CO, and Halpha observations. In the diffuse atomic ISM, we derive the gas-to-dust ratio as the slope of the dust-gas relation and find gas-to-dust ratios of 380+250-130 in the LMC, and 1200+1600-420 in the SMC, not including helium. The atomic-to-molecular transition is located at dust surface densities of 0.05 Mo pc-2 in the LMC and 0.03 Mo pc-2 in the SMC, corresponding to AV ~ 0.4 and 0.2, respectively. We investigate the range of CO-to-H2 conversion factor to best account for all the molecular gas in the beam of the observations, and find upper limits on XCO to be 6x1020 cm-2 K-1 km-1 s in the LMC (Z=0.5Zo) at 15 pc resolution, and 4x 1021 cm-2 K-1 km-1 s in the SMC (Z=0.2Zo) at 45 pc resolution. In the LMC, the slope of the dust-gas relation in the dense ISM is lower than in the diffuse ISM by a factor ~2, even after accounting for the effects of CO-dark H2 in the translucent envelopes of molecular clouds. Coagulation of dust grains and the subsequent dust emissivity increase in molecular clouds, and/or accretion of gas-phase metals onto dust grains, and the subsequent dust abundance (dust-to-gas ratio) increase in molecular clouds could explain the observations. In the SMC, variations in the dust-gas slope caused by coagulation or accretion are degenerate with the effects of CO-dark H2. Within the expected 5--20 times Galactic XCO range, the dust-gas slope can be either constant or decrease by a factor of several across ISM phases. Further modeling and observations are required to break the degeneracy between dust grain coagulation, accretion, and CO-dark H2