Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase

SMYD3 is a multifunctional epigenetic enzyme with lysine methyltransferase activity and various interaction partners. It is implicated in the pathophysiology of cancers but with an unclear mechanism. To discover tool compounds for clarifying its biochemistry and potential as a therapeutic target, a set of drug-like compounds was screened in a biosensor-based competition assay. Diperodon was identified as an allosteric ligand; its R and S enantiomers were isolated, and their affinities to SMYD3 were determined (K_D=42 and 84 μM, respectively). Co-crystallization revealed that both enantiomers bind to a previously unidentified allosteric site in the C-terminal protein binding domain, consistent with its weak inhibitory effect. No competition between diperodon and HSP90 (a known SMYD3 interaction partner) was observed although SMYD3–HSP90 binding was confirmed (K_D=13 μM). Diperodon clearly represents a novel starting point for the design of tool compounds interacting with a druggable allosteric site, suitable for the exploration of noncatalytic SMYD3 functions and therapeutics with new mechanisms of action.     

Spatial consistency of dense features within interest regions for efficient landmark recognition

Recently, feature grouping has been proposed as a method for improving retrieval results for logos and web images. This relies on the idea that a group of features matching over a local region in an image is more discriminative than a single feature match. In this paper, we evolve this concept further and apply it to the more challenging task of landmark recognition. We propose a novel combination of dense sampling of SIFT features with interest regions which represent the more salient parts of the image in greater detail. In place of conventional dense sampling used in category recognition that computes features on a regular grid at a number of fixed scales, we allow the sampling density and scale to vary based on the scale of the interest region. We develop new techniques for exploring stronger geometric constraints inside the feature groups and computing the match score. The spatial information is stored efficiently in an inverted index structure. The proposed approach considers part-based matching of interest regions instead of matching entire images using a histogram under bag-of-words. This helps reducing the influence of background clutter and works better under occlusion. Experiments reveal that directing more attention to the salient regions of the image and applying proposed geometric constraints helps in vastly improving recognition rates for reasonable vocabulary sizes.     

Validation of a Method for Analysis of Aroma Compounds in Red Wine using Liquid–Liquid Extraction and GC–MS

An analytical method for determination of volatile composition of wines using sample preparation by liquid–liquid extraction and gas chromatography coupled to mass spectrometry for separation and detection has been developed and validated. Extraction of volatile compounds was performed in dichloromethane, and 1-octanol was added as an internal standard. Kékfrankos red wine produced in Villány wine region in Hungary was used as a model wine for testing and validation of the method. The developed method allowed satisfactory determination of 33 volatile compounds in the wines. Compounds analyzed include alcohols, esters, lactones, fatty acids, furans, and nitrogen compounds. The calibration curves of the four reference compounds used (2-phenyl ethanol, ethyl nonanoate, butyrolactone, and tyrosol) were linear in all cases with correlation coefficients (R ²) ranging from 0.9951 to 0.9992. The accuracy of the method was checked with a standard addition method (recovery 92.2–103 %), showing good repeatability and reproducibility (RSD?<?10 %).     

Using Twitter® as source of information for dietary market research: a study on veganism and plant-based diets

Social media has experienced rapid growth in recent years and has been subjected of discussions on a wide range of topics including new lifestyles and eating habits, providing a great opportunity to obtain spontaneous consumer information. In this sense, the present work aimed to understand the perception of Twitter^® users about themes of veganism and plant-based diets. The social networking data mining methodology was applied to measure the relationship between both terms. The significant differences found were analysed using the global chi-square (χ²) test, and their sources of variation were investigated by the chi-square per cell. The results indicate that the vegan group's posts are more related to the categories of recipes, trends, criticism and negative comments about veganism, being more often citing sources when compared to the other group. The results of the plant-based diet group are more significantly related to the impacts of nutrition, physical activity and consumer health. In conclusion, Twitter^® has proved to be an interesting tool for obtaining data on (re) produced food publications on social media and their results can guide the market and the academic environment in creating new products, services and marketing strategies to answer the needs of specific consumers.     

Fatigue Failure of a Drive Shaft

The drive shaft in the propulsion system of a boat broke, while the vessel was sailing along the Western Canadian coast. This part was made from a low-alloy steel grade 4340 quenched and tempered. Fractographic investigation at macro scale revealed that the shaft failed under low rotating-bending variable stress. Fatigue propagation occurred on about 95% of the total cross section of the shaft, under both low-cycle and high-cycle fatigue mechanisms. It was found that the fillet radius present at the fracture’s origin was smaller than the one provisioned by design. This situation has raised the stress level at this location higher than the one taken into consideration at the moment of the design calculations and caused the initiation of the cracking. Moreover, although the shaft has been quenched and tempered, its actual hardness did not have the optimal value for long-life fatigue strength.     

Indoor emissions of total and fluorescent supermicron particles during HOMEChem

Inhalation of particulate matter is associated with adverse health outcomes. The fluorescent portion of supermicron particulate matter has been used as a proxy for bioaerosols. The sources and emission rates of fluorescent particles in residential environments are not well-understood. Using an ultraviolet aerodynamic particle sizer (UVAPS), emissions of total and fluorescent supermicron particles from common human activities were investigated during the HOMEChem campaign, a test-house investigation of the chemistry of indoor environments. Human occupancy and activities, including cooking and mopping, were found to be considerable sources of indoor supermicron fluorescent particles, which enhanced the indoor particle concentrations by two orders of magnitude above baseline levels. The estimated total (fluorescent) mass emission rates for the activities tested were in the range of 4-30 (1-11) mg per person meal for cooking and 0.1-4.9 (0.05-4.7) mg/h for occupancy and mopping. Model calculations indicate that, once released, the dominant fate of coarse particles (2.5-10 micrometer in diameter) was deposition onto indoor surfaces, allowing for the possibility of subsequent resuspension and consequent exposures over durations much longer than the ventilation time scale. Indoor coarse particle deposition would also contribute to soiling of indoor surfaces.     

Heat transfer due to buoyancy-driven convective interaction in enclosures: Fundamentals and applications

Coupling of two basic mechanisms of gravity-driven convection is named as convective interactions in the paper. Classification of applications of the interaction mechanism with different orientation of input (output) heat flux to the gravity force is suggested. Brief overview and comments are done. For illustration of the classification a number of examples on the basis of experience in technique and technology are presented. Some convective interaction features with change of orientation for a model of differently heated square are shown. Critical value of the angle for bifurcation onset, heat transfer and temperature stratification in dependency of the angle, temperature oscillations onset in dependency of Pr number for inclined square are presented.     

Renewable polybenzoxazines based in diphenolic acid

The reaction of mixtures of renewable diphenolic acid (DPA) and its methylesterbenzoxazine derivative (MDP-Bz) has been studied. The DPA was introduced to lower the high temperature needed to complete the curing of the pure benzoxazine. In this way, samples with different DPA/MDP-Bz ratio (0, 2, 5, 10 and 25% of DPA) were investigated. Moreover, high performance flame retardant thermosetting resins with phosphorus were prepared through the mixture of MDP-Bz and a DPA-phosphazene derivative (DPA-PPZ). The curing behavior of these materials was studied by differential scanning calorimetry (DSC). Finally, the properties of the materials were evaluated by termogravimetric analysis (TGA), dynamic mechanical analysis (DMTA), tensile measurements, limiting oxygen index (LOI) and UL-94 Burn Test.     

Going beyond energy intensity to understand the energy metabolism of nations: The case of Argentina

The link between energy consumption and economic growth has been widely studied in the economic literature. Understanding this relationship is important from both an environmental and a socio-economic point of view, as energy consumption is crucial to economic activity and human environmental impact. This relevance is even higher for developing countries, since energy consumption per unit of output varies through the phases of development, increasing from an agricultural stage to an industrial one and then decreasing for certain service based economies.In the Argentinean case, the relevance of energy consumption to economic development seems to be particularly important. While energy intensity seems to exhibit a U-Shaped curve from 1990 to 2003 decreasing slightly after that year, total energy consumption increases along the period of analysis. Why does this happen? How can we relate this result with the sustainability debate? All these questions are very important due to Argentinean hydrocarbons dependence and due to the recent reduction in oil and natural gas reserves, which can lead to a lack of security of supply.In this paper we study Argentinean energy consumption pattern for the period 1990–2007, to discuss current and future energy and economic sustainability. To this purpose, we developed a conventional analysis, studying energy intensity, and a non conventional analysis, using the Multi-Scale Integrated Analysis of Societal and Ecosystem Metabolism (MuSIASEM) accounting methodology. Both methodologies show that the development process followed by Argentina has not been good enough to assure sustainability in the long term. Instead of improving energy use, energy intensity has increased. The current composition of its energy mix, and the recent economic crisis in Argentina, as well as its development path, are some of the possible explanations.