57 research outputs found

    Stability of Diethyl Carbonate in the Presence of Acidic and Basic Solvents

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    Reducing carbon dioxide (CO2) emissions is an inevitable measure for fighting anthropogenic climate change. Carbon Capture and Utilization (CCU) technologies are gaining rising attention as an additional contributor to reaching the Paris Agreement goals. Giving CO2 a value as a feedstock to be refined into chemicals to be used in industry is a crucial aspect of making these technologies interesting for vast industrial sectors. The synthesis of diethyl carbonate (DEC) is recognized as a promising prospect for the successful implementation of CCU. DEC is considered a fully biodegradable, low-toxic solvent, which can be synthesized from CO2 and ethanol in the presence of a catalyst. DEC may be a non-toxic alternative to other solvents such as toluene or methyl isobutyl ketone (MIBK). The optimization of DEC synthesis is one aspect that is under investigation today. For the exploration of DEC's applicability, an extensive amount of data is beneficial. Many applications of solvents involve the presence of acids and bases. Hence, an interest in DEC in various environments is reasonable. The decomposition of DEC after contact with water, different acids and bases at room temperature, and the boiling point was determined experimentally to characterize chemical stability. Further, the influence of sodium chloride and a cerium-based catalyst used in DEC synthesis was investigated

    Computational Models for Prediction of Yeast Strain Potential for Winemaking from Phenotypic Profiles

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    Saccharomyces cerevisiae strains from diverse natural habitats harbour a vast amount of phenotypic diversity, driven by interactions between yeast and the respective environment. In grape juice fermentations, strains are exposed to a wide array of biotic and abiotic stressors, which may lead to strain selection and generate naturally arising strain diversity. Certain phenotypes are of particular interest for the winemaking industry and could be identified by screening of large number of different strains. The objective of the present work was to use data mining approaches to identify those phenotypic tests that are most useful to predict a strain's potential for winemaking. We have constituted a S. cerevisiae collection comprising 172 strains of worldwide geographical origins or technological applications. Their phenotype was screened by considering 30 physiological traits that are important from an oenological point of view. Growth in the presence of potassium bisulphite, growth at 40 degrees C, and resistance to ethanol were mostly contributing to strain variability, as shown by the principal component analysis. In the hierarchical clustering of phenotypic profiles the strains isolated from the same wines and vineyards were scattered throughout all clusters, whereas commercial winemaking strains tended to co-cluster. Mann-Whitney test revealed significant associations between phenotypic results and strain's technological application or origin. Naive Bayesian classifier identified 3 of the 30 phenotypic tests of growth in iprodion (0.05 mg/mL), cycloheximide (0.1 mu g/mL) and potassium bisulphite (150 mg/mL) that provided most information for the assignment of a strain to the group of commercial strains. The probability of a strain to be assigned to this group was 27% using the entire phenotypic profile and increased to 95%, when only results from the three tests were considered. Results show the usefulness of computational approaches to simplify strain selection procedures.Ines Mendes and Ricardo Franco-Duarte are recipients of a fellowship from the Portuguese Science Foundation, FCT (SFRH/BD/74798/2010, SFRH/BD/48591/2008, respectively) and Joao Drumonde-Neves is recipient of a fellowship from the Azores government (M3.1.2/F/006/2008 (DRCT)). Financial support was obtained from FEDER funds through the program COMPETE and by national funds through FCT by the projects FCOMP-01-0124-008775 (PTDC/AGR-ALI/103392/2008) and PTDC/AGR-ALI/121062/2010. Lan Umek and Blaz Zupan acknowledge financial support from Slovene Research Agency (P2-0209). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.info:eu-repo/semantics/publishedVersio

    Unsupervised assessment of microarray data quality using a Gaussian mixture model

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    <p>Abstract</p> <p>Background</p> <p>Quality assessment of microarray data is an important and often challenging aspect of gene expression analysis. This task frequently involves the examination of a variety of summary statistics and diagnostic plots. The interpretation of these diagnostics is often subjective, and generally requires careful expert scrutiny.</p> <p>Results</p> <p>We show how an unsupervised classification technique based on the Expectation-Maximization (EM) algorithm and the naïve Bayes model can be used to automate microarray quality assessment. The method is flexible and can be easily adapted to accommodate alternate quality statistics and platforms. We evaluate our approach using Affymetrix 3' gene expression and exon arrays and compare the performance of this method to a similar supervised approach.</p> <p>Conclusion</p> <p>This research illustrates the efficacy of an unsupervised classification approach for the purpose of automated microarray data quality assessment. Since our approach requires only unannotated training data, it is easy to customize and to keep up-to-date as technology evolves. In contrast to other "black box" classification systems, this method also allows for intuitive explanations.</p
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