Simultaneous metal adsorption on tannin resins

Vegetable tannin sorbent is evaluated as ion exchange resin using a multitracer study on the adsorption behavior of various elements. Lisiloma latisiliqua L. tannins, polycondensated into spherical pellets were chosen as sorbent resin material. Sorption evaluation of Ce, Cu(II), U(VI), Eu, Fe(III), Th, Nd as representatives of different classes of metal ions were done at different pH values. The distribution ratio of the studied elements was calculated from laboratory experiments. Tannic ion exchange material shows excellent ability for actinides and rare earth elements adsorption from waters. Using radiotracers, the number of catechins subunits involve in each tannin-metal complex was determined.     

Photoaddition of benzophenone to azaindole,synthesis of the oxetane of 7-azaindole

7-Azaindole did not react with benzophenone on irradiation. However, irradiation of benzophenone in the presence of 1-acetyl-7-azaindole produced an oxetane by cycloaddition of the ketone to the 7-azaindole 2,3-double bond. The nmr and the mass spectra of the oxetane have also been studied in some detail.     

Quantum symmetries and thermal field dynamics

In Thermal Field Dynamics, thermal states are obtained from restrictions of vacuum states on a doubled field algebra. It is shown that the suitably doubled Fock representations of the Heisenberg algebra do not need to be introduced by hand but can be canonically handed down from deformations of the extended Heisenberg bialgebra. The relationship between quantum symmetries and doublings is discussed.     

Extraction and preconcentration of polychlorinated dibenzo-p-dioxins using the cloud-point methodology: Application to their determination in water samples by high-performance liquid chromatography

A new analytical method based on the cloud-point extraction (CPE) methodology combined with high-performance liquid chromatography is used in this study for the extraction and quantification of polychlorinated dibenzo-p-dioxins. These compounds are extracted by using the non-ionic surfactant polyoxyethylene 10 lauryl ether (POLE) from different aqueous systems: fresh, brackish and sea waters. After the cloud-point extraction, which also allowed a preconcentration of the PCDDs being studied, the samples were analysed using a HPLC–UV system under the optimum chromatographic conditions. The proposed method showed very satisfactory recovery percentages for the PCDDs under study and standard deviation values lower than 2%.

The results obtained were finally compared with those found using the traditional liquid–liquid extraction method.     

A New Extraction and Purification Methodology of Bowman-Birk Inhibitors from Seeds and Germinated Seeds of Macrotyloma axillare

The Macrotyloma axillare Bowman-Birk inhibitors from seeds and germinated seeds (120 h) were purified by an alternative methodology and revealed the presence of different contents of inhibitors for each treatment. Mass analyses of inhibitors, from seeds and germinated seeds, showed masses of about 7 and 8 kDa. The 120 h-germinated seed fractions presented higher activity isoforms than seeds without treatment.

     

Thiocoumarins: From the Synthesis to the Biological Applications

Coumarin is a privilege scaffold in medicinal chemistry. Coumarin derivatives are still an emerging class of highly potent pharmaceutical drugs, best known in the field of antimicrobials and anticoagulants. Thiocoumarins are a particular class of coumarins in which one or two of the oxygen atoms are replaced by a sulfur. They are chemically subdivided in three groups: Thiocoumarins, 2-thioxocoumarins, and dithiocoumarins. This review emphasizes the rationale behind the synthesis and biological applications of the most relevant publications related to this family of compounds. Particular attention has been given to their potential as drug candidates, with particular emphasis in the last 5 years. This article is based on the most relevant information collected from multiple electronic databases, including SciFinder, Pubmed, Espacenet, and Mendeley.     

In Silico Evaluation of the Antimicrobial Activity of Thymol—Major Compounds in the Essential Oil of Lippia thymoides Mart. & Schauer (Verbenaceae)

In this paper, we evaluated the drug-receptor interactions responsible for the antimicrobial activity of thymol, the major compound present in the essential oil (EO) of Lippia thymoides (L. thymoides) Mart. & Schauer (Verbenaceae). It was previously reported that this EO exhibits antimicrobial activity against Candida albicans (C. albicans), Staphylococcus aureus (S. aureus), and Escherichia coli (E. coli). Therefore, we used molecular docking, molecular dynamics simulations, and free energy calculations to investigate the interaction of thymol with pharmacological receptors of interest to combat these pathogens. We found that thymol interacted favorably with the active sites of the microorganisms’ molecular targets. MolDock Score results for systems formed with CYP51 (C. albicans), Dihydrofolate reductase (S. aureus), and Dihydropteroate synthase (E. coli) were −77.85, −67.53, and −60.88, respectively. Throughout the duration of the MD simulations, thymol continued interacting with the binding pocket of the molecular target of each microorganism. The van der Waals (ΔE_vdW = −24.88, −26.44, −21.71 kcal/mol, respectively) and electrostatic interaction energies (ΔE_ele = −3.94, −11.07, −12.43 kcal/mol, respectively) and the nonpolar solvation energies (ΔG_NP = −3.37, −3.25, −2.93 kcal/mol, respectively) were mainly responsible for the formation of complexes with CYP51 (C. albicans), Dihydrofolate reductase (S. aureus), and Dihydropteroate synthase (E. coli).     

Molecular Dereplication and In Vitro and In Silico Pharmacological Evaluation of Coriandrum sativum against Neuroblastoma Cells

The aim of this study was to investigate the cytotoxic activity of the Coriandrum sativum (C. sativum) ethanolic extract (CSEE) in neuroblastoma cells, chemically characterize the compounds present in the CSEE, and predict the molecular interactions and properties of ADME. Thus, after obtaining the CSEE and performing its chemical characterization through dereplication methods using UPLC/DAD-ESI/HRMS/MS, PM6 methods and the SwissADME drug design platform were used in order to predict molecular interactions and ADME properties. The CSEE was tested for 24 h in neuroblastoma cells to the establishment of the IC50 dose. Then, the cell death was evaluated, using annexin-PI, as well as the activity of the effector caspase 3, and the protein and mRNA levels of Bax and Bcl-2 were analyzed by ELISA and RT-PCR, respectively. By UHPLC/DAD/HRMS-MS/MS analysis, the CSEE showed a high content of isocoumarins-dihydrocoriandrin, coriandrin, and coriandrones A and B, as well as nitrogenated compounds (adenine, adenosine, and tryptophan). Flavonoids (apigenin, hyperoside, and rutin), phospholipids (PAF C-16 and LysoPC (16:0)), and acylglicerol were also identified in lower amount as important compounds with antioxidant activity. The in silico approach results showed that the compounds 1 to 6, which are found mostly in the C. sativum extract, obey the “Five Rules” of Lipinski, suggesting a good pharmacokinetic activity of these compounds when administered orally. The IC50 dose of CSEE (20 µg/mL) inhibited cell proliferation and promoted cell death by the accumulation of cleaved caspase-3 and the externalization of phosphatidylserine. Furthermore, CSEE decreased Bcl-2 and increased Bax, both protein and mRNA levels, suggesting an apoptotic mechanism. CSEE presents cytotoxic effects, promoting cell death. In addition to the promising results predicted through the in silico approach for all compounds, the compound 6 showed the best results in relation to stability due to its GAP value.     

Essential Oil of the Plants Growing in the Brazilian Amazon: Chemical Composition,Antioxidants, and Biological Applications

Essential oils are biosynthesized in the secondary metabolism of plants, and in their chemical composition, they can be identified different classes of compounds with potential antioxidant and biological applications. Over the years in the Amazon, several species of aromatic plants were discovered and used in traditional medicine. The literature has shown that essential oils extracted from amazon species have several biological activities, such as antioxidant, antibacterial, antifungal, cytotoxic, and antiprotozoal activities. These activities are related to the diversified chemical composition found in essential oils that, by synergism, favors its pharmacological action. In light of this vital importance, this study aimed at performing a review of the literature with particular emphasis on the chemical composition and biological activities in studies conducted with species collected in the Amazon, taking into consideration in particular the last 10 years of collection and research.     

Partially carboxymethylated cotton dust waste for sorption of textile wastewater coloured with the cationic dye Basic Blue 41 as a model: synthesis,regeneration and biodegradability

The removal of residual dyes in coloured textile wastewaters is mandatory, and a significant portion of the dyes used are cationic. Textile factories mainly process cotton yarns, and 8 % of this virgin feedstock is lost as cotton dust waste (CDW). Using factorial experimental design, this dust was derivatised with monochloroacetic acid (MCAA) to produce a partially carboxymethylated cellulose (CM^?-CDW) with NaOH, MCAA and isopropanol for the retention of Basic Blue 41 dye (BB 41) (column and batch), and biodegradability was investigated. The dye retention efficiency was examined with additional experiments varying the initial concentration, contact time and addition of salts. Heteronuclear multiple bonding correlation-nuclear magnetic resonance confirmed the covalent insertion of CM^? groups in the cellulosic fibres. The selected matrix provided a dye sorption of 58.33 (column) and 64.50 mg/g (batch). The Langmuir isotherm was a good fit to the sorption data. The efficiency of uptake of BB 41 was predominantly dictated by the concentration of alkali in the matrix synthesis. Biodegradability by cellulases was similar when using uncharged and dye-charged matrices. The latter were fully regenerated by washing in dilute acid. Retention was proportional to the initial dye concentration and the contact time required to reach equilibrium, which was longer for higher dye concentrations. The addition of 10 mmol/l NaCl decreased BB 41 retention by 50 %. Therefore, CM^?-CDW proved effective for the removal of the cationic dye BB 41 and thus represents an important alternative in the treatment of coloured textile effluents.