Unraveling Surface Basicity and Bulk Morphology Relationship on Covalent Triazine Frameworks with Unique Catalytic and Gas Adsorption Properties

Activity and selectivity are key features at the basis of an efficient catalytic system for promoting the steam‐ and oxygen‐free dehydrogenation (DDH) of ethylbenzene to styrene. The catalyst stability under severe reaction conditions, the reduction of leaching of its active sites, and their resistance to deactivation phenomena on stream are other fundamental aspects to keep in mind while synthesizing new catalytic materials for the process. Although the recent use of single‐phase (doped or undoped) carbon nanomaterials has significantly contributed to improving this catalysis, the relationship between materials morphology and their chemical surface properties still remains to be addressed. Here, a class of highly microporous, N‐doped covalent triazine frameworks (CTFs) with superior activity and stability in the DDH compared to the benchmark systems of the state‐of‐the‐art is reported. Notably, a comparative analysis of their chemico‐physical properties has unveiled the role of the “chemically accessible” surface basicity on the catalyst passivation on stream. Finally, the unique properties of the synthesized CTFs are demonstrated by their excellent H₂ storage capability and CO₂ absorption that rank among the highest reported so far for related systems.     

The last line effect explained

Micro-clones are tiny duplicated pieces of code; they typically comprise only few statements or lines. In this paper, we study the “Last Line Effect,” the phenomenon that the last line or statement in a micro-clone is much more likely to contain an error than the previous lines or statements. We do this by analyzing 219 open source projects and reporting on 263 faulty micro-clones and interviewing six authors of real-world faulty micro-clones. In an interdisciplinary collaboration, we examine the underlying psychological mechanisms for the presence of these relatively trivial errors. Based on the interviews and further technical analyses, we suggest that so-called “action slips” play a pivotal role for the existence of the last line effect: Developers’ attention shifts away at the end of a micro-clone creation task due to noise and the routine nature of the task. Moreover, all micro-clones whose origin we could determine were introduced in unusually large commits. Practitioners benefit from this knowledge twofold: 1) They can spot situations in which they are likely to introduce a faulty micro-clone and 2) they can use PVS-Studio, our automated micro-clone detector, to help find erroneous micro-clones.     

Artificial neural networks for infant mortality modelling

This work aims to investigate a simple to use and easy to interpret methodology for assessing the relative importance of input variables in artificial neural networks (ANNs) applied to epidemiological modelling. The independent variables were 43 variables of the social, economic, environmental and health sector of 59 Brazilian municipalities, and the outcomes were infant mortality rates from these municipalities. Two assays were developed for the ANN modelling. On the first, all 43 variables were taken as input; and on the second, input variables were chosen with the help of factor analysis (FA). The relative importance of the input variables was investigated by means of bootstrap replications of the ANN model on the second assay. Further, multiple linear regression models (LRMs) were developed with the same data set and compared to the ANN models. The FA analysis allowed the selection of eight variables for the second assay. The percent of explained variance R(2) on the ANNs was in the range 0.74-0.80, while linear models had R(2)=0.4-0.5. These findings were validated by the bootstrap replications, in which the ANN models remained with higher R(2) and lower mean square error than the LRMs. The analysis of the best (second) ANN model indicated the highest ranking of importance for the variables literacy, agricultural and livestock sector jobs, number of commercial establishments and telephones. The approach presented here successfully integrated a data-oriented model with expert knowledge, indicating the potentiality of ANN modelling in the prediction, planning and assessment of public health actions.     

A Novel Long-Chained Acetate in the Defensive Secretion of Thrips

Defensive secretions of adult and larval Suocerathrips linguis (Phlaeothripidae, Thysanoptera) were found to contain a long-chained acetate, (11Z)-11,19-eicosadienyl acetate, that was not previously known to occur naturally. This substance occurred together with octadecyl acetate and other long-chained acetates. The eicosadienyl acetate repels ants and spreads on the surface of such potential predators. The mixture can provide a long-lasting surface coating.     

A strategy for identifying differences in large series of metabolomic samples analyzed by GC/MS

In metabolomics, the purpose is to identify and quantify all the metabolites in a biological system. Combined gas chromatography and mass spectrometry (GC/MS) is one of the most commonly used techniques in metabolomics together with 1H NMR, and it has been shown that more than 300 compounds can be distinguished with GC/MS after deconvolution of overlapping peaks. To avoid having to deconvolute all analyzed samples prior to multivariate analysis of the data, we have developed a strategy for rapid comparison of nonprocessed MS data files. The method includes baseline correction, alignment, time window determinations, alternating regression, PLS-DA, and identification of retention time windows in the chromatograms that explain the differences between the samples. Use of alternating regression also gives interpretable loadings, which retain the information provided by m/z values that vary between the samples in each retention time window. The method has been applied to plant extracts derived from leaves of different developmental stages and plants subjected to small changes in day length. The data show that the new method can detect differences between the samples and that it gives results comparable to those obtained when deconvolution is applied prior to the multivariate analysis. We suggest that this method can be used for rapid comparison of large sets of GC/MS data, thereby applying time-consuming deconvolution only to parts of the chromatograms that contribute to explain the differences between the samples.     

Sociality and the rate of rDNA sequence evolution in wasps (Vespidae) and honeybees (Apis)

Lactobacillus acidophilus LF221 produced bacteriocin-like activity against different bacteria including some pathogenic and food-spoilage species. Besides some lactic acid bacteria, the following species were inhibited: Bacillus cereus, Clostridium sp., Listeria innocua, Staphylococcus aureus, Streptococcus D. L. acidophilus LF221 produced at least two bacteriocins, acidocin LF221 A and acidocin LF221 B, which were purified by ammonium sulphate precipitation, ion-exchange chromatography, hydrophobic interaction and reverse-phase FPLC. The antibacterial substances were heat-stable, sensitive to proteolytic enzymes (trypsin, pepsin, pronase, proteinase K) and migrated as 3500- to 5000-Da proteins on sodium dodecyl sulphate/polyacrylamide gel electrophoresis. The sequences of 46 amino-terminal amino acid residues of peptide A and 35 of peptide B were determined. Among the residues identified, no modified amino acids were found. No significant homology was found between the amino acid sequences of acidocin LF221 A and other bacteriocins of lactic acid bacteria and 26% homology was found between acidocin LF221 B and brevicin 27. L. acidophilus LF221 may be of interest as a probiotic strain because of its human origin and inhibition of pathogenic bacteria, especially clostridium difficile.