The in silico study aimed to suggest phytochemicals from Commiphora leptophloeos leaves essential oil as therapies against coronavirus disease (COVID-19) (or severe acute respiratory syndrome coronavirus 2, SARS-CoV-2). For that, we used molecular docking (MD), absorption, distribution, metabolism, excretion, and toxicity (ADMET) parameters, and pharmacokinetic analysis. MD showed the presence of hydrophobic and hydrogen bonds for nine compounds. β-Selinene and bicyclogermacrene showed the best interaction values with the protein Mpro (ID: 6Y2F) (-5.9) and chimeric receptor complexed with its receptor human ACE2 (ID: 6VW1) (-6.1 and -5.5) proteins, as well as low gastrointestinal and high epithelial absorptions, medium permeability for Caco-2 cells and high epithelial permeability, low oral excretion, and were inhibitors of CYP2C19 and CYP2C9 enzymes. On the other hand, both were not permeable to the blood-brain barrier and inhibitors or substrates for glycoprotein-D, and showed carcinogenic potential, but only β-selinene was considered mutagenic. Although little bioavailable, both presented aspects structurally adequate, being compounds with moderate synthesis difficulty. Therefore, more analyses are necessary to evaluate the mechanism of action and unsatisfactory parameters foreseen in bioinformatic assays. COVID19 COVID 19 (COVID-19 2 SARSCoV2. SARSCoV2 SARSCoV SARS CoV . SARS-CoV-2) that MD, , (MD) absorption distribution metabolism excretion ADMET (ADMET analysis βSelinene β Selinene ID (ID 6Y2F YF Y F 5.9 59 5 9 (-5.9 ACE 6VW1 VW 6.1 61 6 1 (-6. 5.5 55 -5.5 proteins absorptions Caco2 Caco Caco- CYPC CYP C CYP2C1 CYP2C enzymes hand bloodbrain blood brain glycoproteinD, glycoproteinD glycoprotein D, D glycoprotein-D potential βselinene selinene mutagenic bioavailable adequate difficulty Therefore assays COVID1 (COVID-1 SARS-CoV-2 (MD 5. (-5. 6VW 6. (-6 -5. (COVID- SARS-CoV- (-5 (- -5 (COVID SARS-CoV ( -

Tea and yerba mate are traditional beverages prepared through the infusion of leaves of Camellia sinensis and Ilex paraguariensis, respectively. During this process, the leaching of pesticides onto the beverage, such as endosulfan, may occur. In this study, a bar adsorptive microextraction (BAµE) method prior to large gas chromatography mass spectrometry analysis was developed to analyze a- and b-endosulfan in teas and yerba mate infusions. Different sorbent coatings for BAµE were compared and the hydrophilic-lipophilic balanced polymer showed the best selectivity for endosulfan isomers. The method was validated providing good recoveries (varying from 80.4 ± 1.8 to 108 ± 4.9%) and linearities (r2 > 0.99), limits of detection from 8.0 to 4.0 µg kg-1 and limits of quantification from 40 to 20 µg kg-1 for a- and b-endosulfan, respectively. The application of the method in the analysis of real samples showed all free of endosulfan at the limit of detection of the analytical method.

Agro-industrial wastes are abundant and low-cost sources of energy and chemicals. Biomass account for 14% of the world’s energy production. Industrial residues of production of soluble coffee (spent coffee grounds - SCG) have great potential due to its large-scale production and can be transformed by pyrolysis, in liquid, solid and gaseous products with applications from energy to chemicals. This work has the objective of producing bio-oil from the pyrolysis of industrial SCG, characterize it by chromatography and indicate its possible applications. As SGC contains a large amount of glycerides, they were extracted from SGC before the pyrolysis, aiming to obtain a better bio-oil from the residue. The yield in vegetable oil was 5.2% and its analyses showed that 50% are saturated acids (mainly palmitic 27.6%) and other 50% are unsaturated ones (mainly linoleic acid 35.3%). This composition qualifies this oil for biodiesel purposes. The residue (SGC after extraction) was submitted to pyrolysis, yielding 30% in liquid products, being 6% bio-oil. The bio-oil was analyzed by gas chromatography being identified free fatty acids, hydrocarbons, phenols and N-compounds. The heteroatomic compounds limit the use as biofuel but can be interesting for the pharmaceutical, agrochemical and fine chemicals industries.

O objetivo deste trabalho é comparar a eficiência de diferentes adsorventes na purificação de biodiesel produzido por transesterificação alcalina do óleo de soja (metanol/KOH). As metodologias propostas foram baseadas na utilização de Magnesol®, sílica, Amberlite BD10 DRY® e Purolite PD 206® como adsorventes e foram desenvolvidas por adsorção a 65 ºC. A eficiência de cada adsorvente foi medida através do teor residual de potássio, álcool, água e sabão, dissolvidos no biodiesel purificado. Como resultado, observamos que Magnesol® e sílica apresentaram melhores propriedades de adsorção que Amberlite BD10 DRY® e Purolite PD 206®, especialmente para remover sabão, glicerina livre e ligada e potássio. Em comparação com a lavagem ácida convencional, estas matrizes foram consideradas adequadas para a remoção de espécies contaminantes inorgânicas e orgânicas do biodiesel. Os principais resultados encontrados para estes dois adsorventes (Magnesol® 1% e sílica 2%) foram valores abaixo de 0,17 mg KOH g-1 de acidez, 1 mg kg-1 de potássio, 61 ppm de sabão, 500 mg kg-1 de água, 0,22% de metanol, 0,30% de glicerina livre e 0,03% de glicerina ligada

The purpose of this work is to compare the efficiency of different adsorbents in the purification of biodiesel produced by alkaline transesterification of soybean oil (Methanol/KOH). The proposed methodologies were based on the use of Magnesol®, silica, Amberlite BD10 DRY® and Purolite PD 206® as adsorbents and were developed by adsorption at 65 ºC. The response of each adsorbent was measured through the residual potassium, alcohol, water and soaps dissolved in the purified biodiesel. As a result, we observe that Magnesol® and silica showed better adsorption properties than Amberlite BD10 DRY® and Purolite PD 206®, especially for removing soap, free and bonded glycerol and potassium. In comparison to the conventional acid water washing, these matrices were found to be equally appropriate for the removal of inorganic and organic contaminant species from biodiesel. The main results found for these two adsorbents (Magnesol® 1% and silica 2%) were values below 0.17 mg KOH g-1 for acid number, 1 mg kg-1 of K, 61 ppm of soap, 500 mg kg-1 of water, 0.22% of methanol and 0.03% of free glycerol