WordNet-like resources are lexical databases with highly relevance information and data which could be exploited in more complex computational linguistics research and applications. The building process requires manual and automatic tasks, that could be more arduous if the language is a minority one with fewer digital resources. This study focuses in the construction of an initial WordNetdatabase for a low-resourced and indigenous language in Peru: Shipibo-Konibo (shp). First, the stages of development from a scarce scenario (a bilingual dictionary shp-es) are described. Then, it is proposed a synset alignment method by comparing the definition glosses in the dictionary (written in Spanish) with the content of a Spanish WordNet. In this sense, word2vec similarity was the chosen metric for the proximity measure. Finally, an evaluation process is performed for the synsets, using a manually...

Vegetable profilins are considered potent allergens for their cross-reactivity as a result of the high sequence identity. Nowadays an attractive attention is focused to find new ligands to inhibit the active site of allergenic profilins. Some studies have shown that caffeic acid may have a certain inhibitory effect on some allergens. For this reason, we studied caffeic acid as an important ligand and its interaction between seven vegetable profilins. We applied molecular dynamic simulations methods and binding free energy analysis by MM–PBSA. We found that caffeic acid had a favorable behavior, and their coupling was mediated by hydrophobic interactions. Furthermore, the analysis of epitopes showed an important contribution of the secondary structure after docking simulations. © 2019, Springer-Verlag GmbH Germany, part of Springer Nature.

The intense solar radiation of the city of Arequipa has been used as an activation factor for TiO2 anatase to evaluate the decoloration kinetics of the Synozol Red K3BS textile dye. For this purpose, a factorial design (23) was developed to optimize reaction time values, pH and TiO2 doses for 200 mL of solution. The optimal factors for the study were: a 60 min duration, a pH of 3 and 0.1 g of photocatalyst. The first-order kinetic model adequately explained the decoloration of a solution at a concentration of 40 mg/L, showing an excellent reaction rate constant (k=0.0333 min-1) and a decoloration percentage of 86.15%

Cytogenetical findings in 18 cases of suspected overexposure to ionizing radiations are shown. Despite the fact that in almost every case a number of aberrations was described, it was possible the estimation of biological doses in only two of them. Six persona (students working with x-rays in a practice) received very localized, high doses in fingers and eyes because of the incredibly erroneous use of an X­ ray diffraction machine, being their biological doses to whole body not relevant at all. Typical radiation-induced chromosomal damage (which is useful for biological dosimetry) is the appearance of dicentric chromosomes, chromosomal rings and acentric fragments, but the greatest amount of cytogenetical abnormalities found in this group are chromosomal breaks and gaps, chromatid aberrations, translocations, deletions, and radial figures (grouped as "others" in Table 1). This led us to...

Se prepararon carbones activados a partir de dos precursores de la actividad forestal utilizando activación química en un solopaso con ZnCl2. Las capacidades de adsorción se determinaron con azul de metileno en soluciones sintéticas y con metalespesados de agua de un río contaminado. Las áreas superficiales específicas de los carbones activados se calcularon entre 1278y 1404 m2/g. Una caracterización de los materiales se realizó mediante FTIR, espectroscopía RAMAN, difracción de rayos Xy microscopía electrónica de barrido. La estructura porosa de ambos carbones activados fue predominantemente microporosacon presencia de mesoporos. La máxima adsorción de azul de metileno por ambos carbones fue de entre 250 mg/g y 357 mg/g.La cinética de adsorción de azul de metileno con diferentes concentraciones iniciales del colorante y diferentes dosis de carbónactivado, también fue ...

Homodimeric KATII is an enzyme involved in l-kynurenine transamination to kynurenic acid. The increase in kynurenic acid concentration is predominant in schizophrenia and other disorders. Currently, the search for new KATII inhibitors continues to be a challenge. The aim of this work was to analyze the possible role of nicotine in KATII inhibition and compare it with the reversible inhibitor NS1502. We have used computational methods of quantum mechanics, docking, molecular dynamics, and binding energy (molecular mechanics/Poisson–Boltzmann surface area). The results of chemical reactivity showed that the nucleophilic and electrophilic attacks would be more significant in nicotine than in NS1502. The molecular dynamics simulations provided a molecular understanding of the binding interaction of nicotine and NS1502 with KATII. The nicotine binding energy was similar to that of the NS150...

Profilins are panallergenic proteins of clinical relevance. We compared three groups of three-dimensional structures from six vegetable profilins. The first group was composed of crystal structures obtained by X-ray diffraction. The second and the third group structures were obtained by homology modeling; the selection criteria of the templates for these were based on the best resolution structure and the highest sequence identity, respectively. All of the structures underwent a 200 ns molecular dynamics simulation. The best template for the second group was Art v 4 and for the third group was the crystal structure corresponding to each profilin, except for Zea m 12. After molecular dynamics simulation, root-mean-square deviation, root-mean-square fluctuation, and radii of gyration values were similar in all groups, except for Amb a 8 (second group) and Zea m 12 (third group). All struct...

PF04859989 is a potential novel drug designed to attenuate symptoms of Schizophrenia. We analyzed the substitution effect on PF04859989 using three functional, which included the long-range correction. The substituents were both donor and attractor electrons, in two positions of the fused-ring molecule, in positions six and seven. Global reactivity indices were analyzed, finding that it does not present more information except electrophilicity, when analyzed with respect to the Hammet parameter, representing a quadratic correlation closer to the unit. The hydrophobic capacity (cLogP) was considered, finding that the groups such as CH3, CN, Cl and COCH3 increase hydrophobic capacity both in substitution in position six and seven. Additionally, we found that isomers conformations in position three of the amino group marked that equatorial isomers are more stable than the axial ones.

The aggregation of proteins in the brain is one of the main features of neurodegenerative diseases. In Alzheimer’s disease, the abnormal aggregation of A?-42 is due to intrinsic and extrinsic factors. The latter is due to variations in the environment, such as temperature, salt concentration, and pH. We evaluated the effect of protonation/deprotonation of residues that are part of trimeric and pentameric oligomers at pH 5, pH 6, and pH 7. Molecular dynamics simulation at 200 ns in the canonical ensemble was implemented. The results have revealed that histidine, glutamic acid, and aspartic acid residues showed a protonation/deprotonation effect in oligomers. The root mean square deviation analysis was used to analyze the structural stability at different pHs. We found an increase in hydrophobicity in the side chains of the trimer, while in the pentamer, the structural instability of a c...