Adsorption dynamics of Cd2+(aq) on microwave-synthetized pristine biochar from cocoa pod husk: Green, experimental, and DFT approaches.

Biochar obtained via microwave-assisted pyrolysis (MAP) at 720 W and 15 min from cocoa pod husk (CPH) is an efficient adsorbent of Cd2+(aq). Biochar of residual biomass of CPH (BCCPH) possesses favorable physicochemical and morphological properties, featuring a modest surface area yet a suitable porous structure. Adsorption, predominantly governed by physisorption, is influenced by the oxygen-containing active sites (-COOR, -C(R)O, and -CH2OR; R = H, alkyl). CdCO3 formation occurs during adsorption. Experimental data were well-fitted into various kinetic models for a broad understanding of the sorption process. Langmuir model indicates a maximum adsorption capacity of 14.694 mg/g. The thermodynamic study confirms the spontaneous and endothermic sorption. Studies at the molecular level have revealed that the Cd2+ ion tends to bind to surface aromatic carbon atoms. This sustainable approach produces BCCPH via MAP as a solution for waste transformation into water-cleaning materials.

Diversidad bacteriana en aguas mineromedicinales del balneario “Urauco”. Pichincha. Ecuador. / Bacterial biodiversity in mineromedicinal waters of spa “Urauco”. Pichincha. Ecuador

La presencia de manantiales de aguas mineromedicinales en Ecuador se encuentra en relación con el gran número de volcanes que existen en el país, los cuales se han venido utilizando desde épocas remotas como medicamentos por la población. Sin embargo, se desconoce cuál es la biodiversidad bacteriana presente. Por ello, el objetivo del trabajo fue determinar la biodiversidad bacteriana de las aguas mineromedicinales del balneario “Urauco” ubicado en la Provincia de Pichincha. Ecuador. Se tomaron muestras de agua de un volumen de 1 litro en dos punto del balneario. Los muestreos se realizaron en 2 ocasiones durante un periodo de dos año. Para la toma y transporte de las muestras se siguieron las normas ecuatorianas INEN 2 176-98 y INEN 2 169-98. Para la determinación de la biodiversidad bacteriana se utilizó las técnicas de siembra, selección e identificación de bacterias indicados por Barrow y Feltan (2004) y MacFfadin (2004), complementadas con las pruebas bioquímicas contenidas en las galerías API (BioMérieux) y galería Microgen (Microgen corp.). Los resultados señalan un población de bacterias heterótrofas en las aguas del balneario de 3,1 x 102 UFC/mL, con la prevalencia de las bacterias Gram negativa de la clase Gamma Proteobacterias. Se pudo aislar e identificar 64 colonias de bacterias. Los géneros de bacterias encontrados fueron Acidovorax, Aeromonas, Bacillus, Brevundimonas, Budvicia, Citrobacter, Corynebacterium, Ed- wardsiella, Enterococcus, Ewingella, Flavobacterium, Kurthia, Micrococcus, Proteus, Pseudomonas, Psychrobacter, Ralstonia, Staphylococcus, Vibrio y Yokonella. La biodiversidad bacteriana observada fue alta, aunque escasa en número de individuos. (AU)

The presence of mineromedicinal water springs in Ecuador is related to the large number of volcanoes that exist in the country, which have been used since ancient times as medicines by the population. However, it is unknown what bacterial biodiversity is present. Therefore, the objective of these work was to determine the bacterial biodi- versity of the mineromedicinal waters of “Urauco” spa located in Pichincha Provinces of Ecuador. Water samples of a volume of 1 liter were taken at two points in each spa studied. Sampling was done 2 times over a period of two year. To take and transport the samples, the Ecuadorian standards INEN 2 176-98 and INEN 2 169-98 were followed. For the determination of bacterial biodiversity, the techniques of planting, selection and identification of bacteria indicated by Barrow and Feltan (2004) and MacFfadin (2004) were used, complemented with the bio- chemical tests contained in the API (BioMérieux) galleries and Microgen (Microgen corp.). The results indicate a population of heterotrophic bacteria in the spa waters of 3.1 x 102 CFU / mL, with the prevalence of Gram negative bacteria of the Gamma Proteobacteria class. It was possible to isolate and identify 64 colonies of bacteria. The genera of bacteria were Acidovorax, Aeromonas, Bacillus, Brevundimonas, Budvicia, Citrobacter, Corynebacterium, Edwardsiella, Enterococcus, Ewingella, Flavobacterium, Kurthia, Micrococcus, Proteus, Pseudomonas, Psychrobacter, Ralstonia, Staphylococcus, Vibrio and Yokonella. The bacterial biodiversity observed was high, although low in number. (AU)

Synthesis, Leishmanicidal, Trypanocidal, Antiproliferative Assay and Apoptotic Induction of (2-Phenoxypyridin-3-yl)naphthalene-1(2H)-one Derivatives.

The coexistence of leishmaniasis, Chagas disease, and neoplasia in endemic areas has been extensively documented. The use of common drugs in the treatment of these pathologies invites us to search for new molecules with these characteristics. In this research, we report 16 synthetic chalcone derivatives that were investigated for leishmanicidal and trypanocidal activities as well as for antiproliferative potential on eight human cancers and two nontumor cell lines. The final compounds 8−23 were obtained using the classical base-catalyzed Claisen−Schmidt condensation. The most potent compounds as parasiticidal were found to be 22 and 23, while compounds 18 and 22 showed the best antiproliferative activity and therapeutic index against CCRF-CEM, K562, A549, and U2OS cancer cell lines and non-toxic VERO, BMDM, MRC-5, and BJ cells. In the case of K562 and the corresponding drug-resistant K562-TAX cell lines, the antiproliferative activity has shown a more significant difference for compound 19 having 10.3 times higher activity against the K562-TAX than K562 cell line. Flow cytometry analysis using K562 and A549 cell lines cultured with compounds 18 and 22 confirmed the induction of apoptosis in treated cells after 24 h. Based on the structural analysis, these chalcones represent new compounds potentially useful for Leishmania, Trypanosoma cruzi, and some cancer treatments.

Diversidad bacteriana en aguas mineromedicinales del balneario "Urauco". Pichincha. Ecuador / Bacterial biodiversity in mineromedicinal waters of spa "Urauco". Pichincha. Ecuador

La presencia de manantiales de aguas mineromedicinales en Ecuador se encuentra en relación con el gran número de volcanes que existen en el país, los cuales se han venido utilizando desde épocas remotas como medicamentos por la población. Sin embargo, se desconoce cuál es la biodiversidad bacteriana presente. Por ello, el objetivo del trabajo fue determinar la biodiversidad bacteriana de las aguas mineromedicinales del balneario "Urauco" ubicado en la Provincia de Pichincha. Ecuador. Se tomaron muestras de agua de un volumen de 1 litro en dos punto del balneario. Los muestreos se realizaron en 2 ocasiones durante un periodo de dos año. Para la toma y transporte de las muestras se siguieron las normas ecuatorianas INEN 2 176-98 y INEN 2 169-98. Para la determinación de la biodiversidad bacteriana se utilizó las técnicas de siembra, selección e identificación de bacterias indicados por Barrow y Feltan (2004) y MacFfadin (2004), complementadas con las pruebas bioquímicas contenidas en las galerías API (BioMérieux) y galería Microgen (Microgen corp.). Los resultados señalan un población de bacterias heterótrofas en las aguas del balneario de 3,1 x 102 UFC/mL, con la prevalencia de las bacterias Gram negativa de la clase Gamma Proteobacterias. Se pudo aislar e identificar 64 colonias de bacterias. Los géneros de bacterias encontrados fueron Acidovorax, Aeromonas, Bacillus, Brevundimonas, Budvicia, Citrobacter, Corynebacterium, Ed- wardsiella, Enterococcus, Ewingella, Flavobacterium, Kurthia, Micrococcus, Proteus, Pseudomonas, Psychrobacter, Ralstonia, Staphylococcus, Vibrio y Yokonella. La biodiversidad bacteriana observada fue alta, aunque escasa en número de individuos

The presence of mineromedicinal water springs in Ecuador is related to the large number of volcanoes that exist in the country, which have been used since ancient times as medicines by the population. However, it is unknown what bacterial biodiversity is present. Therefore, the objective of these work was to determine the bacterial biodi- versity of the mineromedicinal waters of “Urauco” spa located in Pichincha Provinces of Ecuador. Water samples of a volume of 1 liter were taken at two points in each spa studied. Sampling was done 2 times over a period of two year. To take and transport the samples, the Ecuadorian standards INEN 2 176-98 and INEN 2 169-98 were followed. For the determination of bacterial biodiversity, the techniques of planting, selection and identification of bacteria indicated by Barrow and Feltan (2004) and MacFfadin (2004) were used, complemented with the bio- chemical tests contained in the API (BioMérieux) galleries and Microgen (Microgen corp.). The results indicate a population of heterotrophic bacteria in the spa waters of 3.1 x 102 CFU / mL, with the prevalence of Gram negative bacteria of the Gamma Proteobacteria class. It was possible to isolate and identify 64 colonies of bacteria. The genera of bacteria were Acidovorax, Aeromonas, Bacillus, Brevundimonas, Budvicia, Citrobacter, Corynebacterium, Edwardsiella, Enterococcus, Ewingella, Flavobacterium, Kurthia, Micrococcus, Proteus, Pseudomonas, Psychrobacter, Ralstonia, Staphylococcus, Vibrio and Yokonella. The bacterial biodiversity observed was high, although low in number

[(7-chloroquinolin-4-yl)amino]acetophenones and their copper(II) derivatives: Synthesis, characterization, computational studies and antimalarial activity.

The synthesis of the compounds [(7-chloroquinolin-4-yl)amino]acetophenones (4, 5) and their copper(II) complexes (4a, 5a) is reported. The compounds were characterized using a wide range of spectroscopic and spectrometric techniques, such as FTIR, UV-vis, NMR, EPR, ESI-CID-MS2. The spectral results suggested that the ligand acted as chelating species coordinating the metal through the endocyclic nitrogen of the quinoline ring in both complexes, with general formulae expressed in two ways, according to the phase in which they are: [Cu(L)2Cl2] for solid phase and [Cu(L)2][2Cl] for liquid phase. The EPR study of the Cu (II) complexes indicated a probable distorted tetrahedral coordination geometry. This result was confirmed by the calculated optimized structures at the DFT/B3LYP method with the 6-31G (d,p) basis set. The characterization of the fragmentation pattern of protonated free ligands was extended here to fragments as low as m/z 43, while for coordination complexes it extends to fragments at m/z 80 and m/z 111. The antimalarial activity of the compounds was determined through three different tests: inhibitory activity against in vitro growth of Plasmodium falciparum (W2), inhibition of hemozoin formation (ß-hematin) and in vitro inhibitory activity against recombinant falcipain-2, where compound 5 showed considerable activity. However, the activity of free ligands against P. falciparum was increased by complexing with the Cu (II) metal ion. The values of the HOMO-LUMO energy gap of 3.847 eV (4a) and 3.932 eV (5a) were interpreted with high chemical activity and thus, could influence on biological activity. In both compounds, the total electron density surface mapped with electrostatic potential clearly revealed the presence of high negative charge on the Cu atom. Also, this study reported the molecular docking of free ligands (4, 5) using software package ArgusLab 4.0.1. The results revealed the importance of water molecules as interaction bridges through hydrogen bonds between free ligands and ß-hematin; at the same time, the hypothesis that π-π interaction between quinoline derivatives and the electronic system of hematin governs the formation of adducts was confirmed.

Microbiota del agua termal del balneario "Piscinas El Cachaco", Calacalí, Provincia del Pichincha. Ecuador / Microbiota of the thermal water of the spa "Piscinas El Cachaco", Calacalí, Province of Pichincha, Ecuador

Las aguas termales son ecosistemas con microorganismos adaptados a las condiciones de estos ambientes. Se ha postulado que la microbiota de cada balneario es característica. El objetivo del trabajo fue determinar la microbiota del agua del Balneario "Piscinas El Cachaco", Provincia de Pichincha, Ecuador. Se tomaron muestras de agua en tres zonas del balneario por un periodo de dos años, En cada sitio se realizaron pruebas fisicoquímicas utilizando un equipo multiparámetro. La toma y transporte de las muestras para el estudio microbiológico se realizó según la norma ecuatoriana NTE-INEN. Se realizaron los análisis microbiológicos según la metodología AOAC (2000). Para el agua de la naciente del balneario, los valores promedios de bacterias heterótrofas fueron de 8,60 X 10 UFC/mL, bacterias coliformes totales 5,70 X 10 UFC/mL y mohos y levaduras 9,00 UFC/mL. Para el agua del tanque que alimenta la piscina termal los valores promedios fueron para bacterias heterótrofas de 5,20 X 10 UFC/mL, bacterias coliformes totales 3,00 UFC/mL y no se detectaron células de mohos y levaduras En el agua de la Piscina termal, los valores promedios fueron: bacterias heterótrofas 1,60 X 102 UFC/mL, coliformes 5,00 UFC/mL y mohos y levaduras 5,00 UFC/mL. El 50,94 % de las bacterias aisladas fueron Gram negativas, prevaleciendo el género Aeromonas, y un 49,06% fueron Gram positiva, prevaleciendo el género Staphylococcus. Se logro aislar 3 especies de mohos Aspergillus spp. Rhizopus spp y Penicillium spp. Los resultados muestran una microbiota bacteriana escasa y poco diversa en las áreas del Balneario

The thermal waters are ecosystems with microorganisms adapted to these environments. It has been postulated that microbiota of each spa is characteristic. The objective was to determine the microbiota of the water "Piscinas El Cachaco" Spa, Province of Pichincha, Ecuador. Water samples were taken in three areas of the spa for two years. At each site, physicochemical tests were performed using a multiparameter equipment. The taking and transport of the samples for the microbiological study was carried out according Ecuadorian standard NTE-INEN. The microbiological analyzes were carried out by the methodology AOAC (2000). From the source of water, the average values of heterotrophic bacteria were 8,60 X 10 CFU / mL, total coliform 5,70 X 10 CFU / mL and molds and yeasts 9,00 CFU / mL. For the water in the tank, the average values were for heterotrophic bacteria of 5,20 X 10 CFU / mL, total coliform bacteria 3,00 CFU / mL and no molds and yeasts cells were detected. In the thermal pool water, the average values obtained were: heterotrophic bacteria 1,60 X 102 CFU / mL, total coliforms 5,00 CFU / mL and molds and yeasts 5,00 CFU/ mL. 50,94 % of the isolated bacteria were Gram negative, the genus Aeromonas prevailing, while 49,06 % were Gram positive, prevailing the genus Staphylococcus. It was possible to isolate 3 species of mold Aspergillus spp. Rhizopus spp and Penicillium spp. The results show a sparse and little diverse bacterial microbiota in the spa