Distribution and sources of aliphatic and polycyclic aromatic hydrocarbons in surface sediments of Itajaí-Açu estuarine system in Brazil

The Itajaí-Açu estuarine system, located in southern Brazil, has great economic importance due to the presence of two ports (Itajaí and Navegantes). This system is affected by industrial and dredging activities, which can cause the remobilization of pollutants accumulated over time in the sediment. In this context, hydrocarbons were assessed in twelve surface sediment samples. n-Alkane and polycyclic aromatic hydrocarbons (PAH) concentrations were determined by gas chromatography and their sources assessed. Total concentrations ranged between 0.50 ± 0.04 and 69.70 ± 3.90 μg g-1 dry weight (d.w.) for n-alkanes and from 63.9 ± 12.1 to 1459.0 ± 43.5 ng g-1 d.w. for PAH. Most of the sediment samples presented carbon preference index (CPI) values close to unity, indicating that the area is submitted to petroleum-related sources, mainly close to Itajaí harbor, where an intense unresolved complex mixture (UCM) was observed. The presence at all stations of αβ-hopane biomarkers also indicated petrogenic input. Based on selected PAH ratios, the sedimentary PAH composition reflects a mixture of both petrogenic and pyrolytic sources. A comparison of the PAH concentrations found in this study with those listed in the sediment quality guidelines (SQGs) indicated that adverse biological effects on the biota are rarely expected.The Itajaí-Açu estuarine system, located in southern Brazil, has great economic importance due to the presence of two ports (Itajaí and Navegantes). This system is affected by industrial and dredging activities, which can cause the remobilization of pollu28460361

Determination of the phenolic composition from brazilian tropical fruits by UHPLC–MS/MS

Although Brazil is the third largest fruit producer in the world, several specimens consumed are not well studied from the chemical viewpoint, especially for quantitative analysis. For this reason and the crescent employment of mass spectrometry (MS) techniques in food science we selected twenty-two phenolic compounds with important biological activities and developed an ultra-high performance liquid chromatography tandem mass spectrometry (UHPLC-MS/MS) method using electrospray (ESI) in negative ion mode aiming their quantification in largely consumed Brazilian fruits (açaí-do-Amazonas, acerola, cashew apple, camu-camu, pineapple and taperebá). Multiple reaction monitoring (MRM) was applied and the selection of proper product ions for each transition assured high selectivity. Linearity (0.995 < r2 < 0.999), limit of detection (28.85-333.3 pg/mL), limit of quantification (96.15-1111 pg/mL), inter- and intraday accuracy (>80%), precision (CV < 20%) and extraction recovery rate (>80%) were satisfactory and showed that the method provides an efficient protocol to analyze phenolic compounds in fruit pulp extracts.Although Brazil is the third largest fruit producer in the world, several specimens consumed are not well studied from the chemical viewpoint, especially for quantitative analysis. For this reason and the crescent employment of mass spectrometry (MS) tech180280287CNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOFAPEAM - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DO AMAZONASFAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOsem informaçãosem informação2012/21395-0Alothan, M., Bhat, R., Karim, A.A., Antioxidant capacity and phenolic content of selected tropical fruits from Malaysia, extracted with different solvents (2009) Food Chemistry, 115 (3), pp. 785-788Bataglion, G.A., Da Silva, F.M.A., Eberlin, M.N., Koolen, H.H.F., Simultaneous quantification of phenolic compounds in buriti fruit (Mauritia flexuosa L.f.) by ultra-performance liquid chromatography coupled to tandem mass spectrometry (2014) Food Research International, 66, pp. 396-400Bataglion, G.A., Da Silva, F.M.A., Santos, J.M., Dos Santos, F.N., Barcia, M.T., De Lourenço, C.C., Comprehensive characterization of lipids from Amazonian vegetable oils by mass spectrometry techniques (2014) Food Research International, 64, pp. 472-481Bazoti, F.N., Gikas, E., Skaltsounis, A.L., Tsarbopoulos, A., Development of a liquid chromatography-electrospray ionization tandem mass spectrometry (LC-ESI MS/MS) method for the quantification of bioactive substances present in olive oil mill wastewaters (2006) Analytica Chimica Acta, 573-574, pp. 258-266Becerra-Herrera, M., Sánchez-Astudillo, M., Beltrán, R., Sayago, A., Determination of phenolic compounds in olive oil: New method based on liquid-liquid micro extraction and ultra-high performance liquid chromatography-triple quadrupole mass spectrometry (2014) LWT - Food Science and Technology, 57 (1), pp. 49-57Bertin, R.L., Gonzaga, L.V., Borges, G.S.C., Azevedo, M.S., Maltez, H.F., Heller, M., Nutrient composition and, identification/quantification of major phenolic compounds in Sarcocornia ambigua (Amaranthaceae) using HPLC-ESI-MS/MS (2014) Food Research International, 55, pp. 404-411Biesaga, M., Pyrzynska, K., Liquid chromatography/tandem mass spectrometry studies of the phenolic compounds in honey (2009) Journal of Chromatography A, 1216 (38), pp. 6020-6026Brito, E.S., De Araújo, M.C.P., Lin, L.-Z., Harnly, J., Determination of the flavonoid components of cashew apple (Anacardium occidentale) by LC-DAD-ESI/MS (2007) Food Chemistry, 1053 (3), pp. 1112-1118Bystrom, L.M., Lewis, B.A., Brown, D.L., Rodriguez, E., Obendorf, R.L., Characterisation of phenolics by LC-UV/Vis, LC-MS/MS and sugars by GC in Melicoccus bijugatus Jacq. 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Obtaining phenolic compounds from jatoba (hymenaea courbaril L.) bark by supercritical fluid extraction

The extraction of polyphenol compounds from jatoba (Hymenaea courbaril L. var stilbocarpa) bark using supercritical fluid extraction (SFE) with CO 2 and cosolvents has been investigated. Among the solvent systems studied, SFE using CO2 and water (9:1, v/v), at 323 K and 35 MPa, presented the best results, with extract yield of 24%, and with high antioxidant activity (IC50 of 0.2 mg/cm3). This solvent system was used to determine global yield isotherms, which were built at 323 and 333 K, and 15, 25, and 35 MPa, using a second lot of jatoba. The highest yield was 11.5% at 15 MPa and 323 K, with maximum total phenolic compounds (TPC) of 335.00 mg TAE/g extract (d.b.) and total tannins content of 1.8 g/100 g raw material. A kinetic experiment was performed using optimized conditions, yielding 18% extract, and the kinetic parameters were used to scale-up the process from laboratory to pilot scale. Chemical analyses showed high content of phenolic compounds in the extracts of jatoba bark mostly due to the presence of procyanidins. © 2014 Elsevier B.V.The extraction of polyphenol compounds from jatoba (Hymenaea courbaril L. var stilbocarpa) bark using supercritical fluid extraction (SFE) with CO2 and cosolvents has been investigated. Among the solvent systems studied, SFE using CO2 and water (9:1, v/v)896877FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOCNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO2008/10986-2301301/2010-7De Albuquerque, U.P., De Medeiros, P.M., De Almeida, A.L.S., Monteiro, J.M., De Freitas Lins Neto, E.M., De Melo, J.G., Dos Santos, J.P., Medicinal plants of the caatinga (semi-arid) vegetation of NE Brazil: A quantitative approach (2007) Journal of Ethnopharmacology, 114 (3), pp. 325-354. , DOI 10.1016/j.jep.2007.08.017, PII S0378874107004229Calixto, J.B., Twenty-five years of research on medicinal plants in Latin America: A personal view (2005) Journal of Ethnopharmacology, 100 (1-2), pp. 131-134. , DOI 10.1016/j.jep.2005.06.004, PII S0378874105003612, Perspectives of EthnopharmacologyFernandes, T.T., Santos, A.T.F., Pimenta, F.C., Antimicrobial activity of Plathymenia reticulata, Hymenaea courbaril and Guazuma ulmifolia plants (2005) Revista de Patologia Tropical, 34, pp. 113-122Lorenzi, H., Matos, F.J.A., Medicinal plants in Brazil (2002) Native and Exotics, , Plantarum Institute Nova Odessa, SP, BrazilNogueira, R.T., Shepherd, G.J., Laverde, Jr.A., Marsaioli, A.J., Imamura, P.M., Clerodane-type diterpenes from the seed pods of Hymenaea courbaril var. Stilbocarpa (2001) Phytochemistry, 58 (8), pp. 1153-1157. , DOI 10.1016/S0031-9422(01)00303-X, PII S003194220100303XAguiar, J.C., Santiago, G.M., Lavor, P.L., Veras, H.N., Ferreira, Y.S., Lima, M.A., Arriaga, A.M., Braz-Filho, R., Chemical constituents and larvicidal activity of Hymenaea courbaril fruit peel (2010) Natural Product Communications, 5, pp. 1977-1980Abdel-Kader, M., Berger, J.M., Slebodnick, C., Hoch, J., Malone, S., Wisse, J.H., Werkhoven, M.C.M., Kingston, D.G.I., Isolation and absolute configuration of ent-halimane diterpenoids from Hymenaea courbaril from the Suriname rain forest (2002) Journal of Natural Products, 65 (1), pp. 11-15. , DOI 10.1021/np0103261Orsi, P.R., Bonamin, F., Severi, J.A., Santos, R.C., Vilegas, W., Hiruma-Lima, C.A., Stasi, L.C.D., Hymenaea stigonocarpa Mart. Ex Hayne: A Brazilian medicinal plant with gastric and duodenal anti-ulcer and antidiarrheal effects in experimental rodent models (2012) J. 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Assessment Of Anthropogenic Contamination With Sterol Markers In Surface Sediments Of A Tropical Estuary (itajaí-açu, Brazil).

The Itajaí-Açu estuarine region is one of the most important estuarine systems of south Brazil, due to the location of the Itajaí Harbor, which is the major route of international trading of the state and the largest national fishing pole landing. In addition, industries as well as urban and tourism activities are potential sources of pollution in this area. In the present study, sediment samples from 12 stations along the estuarine system were collected and extracted followed by ultra-high performance liquid chromatography tandem mass spectrometry (UHPLC-MS/MS) analysis. Eight sterols were identified and quantified, indicating natural and anthropogenic sources. Coprostanol concentrations ranged from <4 up to 8930ngg(-1) of dry weight sediment with higher values being observed in the area next to the Itajaí Harbor and under influence of Itajaí-Mirim River flow, which receives wastewater from several cities. Concentrations and selected sterol ratios were useful tools used to distinguish anthropogenic and biogenic organic matter (OM) sources in the studied area, where coprostanol concentrations higher than 500ngg(-1) were observed in 42% of the stations analyzed, indicating strong sewage contamination. Factor analysis with principal component analysis (FA/PCA) has distinguished two different groups of samples, with high and low total sterol concentrations. FA/PCA results revealed that the stations located in the estuary were separated by PC1 because they are clearly contaminated by sewage, also pointed by coprostanol/(coprostanol+cholestanol) and coprostanol/cholesterol ratios and by the higher concentrations of fecal sterols.544432-43

Insights on the Petasis Borono–Mannich multicomponent reaction mechanism

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)A joint experimental and theoretical investigation on the mechanism of the Petasis Borono-Mannich reaction is described. Using the charge-tag strategy for mass spectrometry ion monitoring in solution, unprecedented key intermediates were intercepted and characterized. A key intermediate was also isolated from the reaction solution and its structure could be deduced from single crystal X-ray diffraction. A mechanism further consolidated by DFT calculations that reconciles the present and all available data on this important multicomponent reaction is presented.A joint experimental and theoretical investigation on the mechanism of the Petasis Borono–Mannich reaction is described. Using the charge-tag strategy for mass spectrometry ion monitoring in solution, unprecedented key intermediates were intercepted and c5937633776341CNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOCAPES - COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIORFAPDF - FUNDAÇÃO DE APOIO À PESQUISA DO DISTRITO FEDERALFAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DEConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)sem informaçãosem informaçãosem informaçãosem informaçãoAuthors acknowledge the partial financial support from CNPq, CAPES, INCT-Catalysis, INCT-Transcend group, FAPDF, FAPESP, Petrobras, Inmetro, and DPP-UnB. We also thanks Prof. Dr Angelo H. L. Machado (IQ-UnB) for the fruitful discussion

Synthesis of 2-arylbenzimidazoles under mild conditions catalyzed by a heteropolyacid-containing task-specific ionic liquid and catalyst investigation by electrospray (tandem) mass spectrometry

A task-specific ionic liquid constituted by a Bronsted acid (1-(3-sulfopropyl)-3-methyl-imidazolium hydrogen sulfate) as the cation, namely MSI, and by [PW12O40](3-) as the triply charged counter-anion, namely PW (a heteropolyacid derivative), was used as an efficient catalyst for the condensation reaction between aldehydes and o-phenylenediamines.A task-specific ionic liquid constituted by a Bronsted acid (1-(3-sulfopropyl)-3-methyl-imidazolium hydrogen sulfate) as the cation, namely MSI, and by [PW12O40]3− as the triply charged counter-anion, namely PW (a heteropolyacid derivative), was used as a5856941869422sem informaçãosem informaçã

Probing the mechanism of the ugi four-component reaction with charge-tagged reagents by ESI-MS(/MS)

The mechanism of the Ugi four-component reaction has been investigated by electrospray ionization (tandem) mass spectrometry using charge-tagged reagents (a carboxylic acid or an amine) to favour detection. Key intermediates were transferred directly via ESI(+) from the reaction solution to the gas phase and characterized by MS measurements and MS/MS collision induced dissociation. The Mumm rearrangement (final step) was also investigated by both travelling wave ion mobility mass spectrometry and DFT calculations. The data seem to consolidate the amazingly selective mechanism of this intricate four-component reaction. © 2013 The Royal Society of Chemistry.The mechanism of the Ugi four-component reaction has been investigated by electrospray ionization (tandem) mass spectrometry using charge-tagged reagents (a carboxylic acid or an amine) to favour detection. Key intermediates were transferred directly via503338340FAPDF - FUNDAÇÃO DE APOIO À PESQUISA NO DISTRITO FEDERALCAPES - COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIORFAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOCNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TEsem informaçãosem informaçãosem informaçãosem informaçãoDe Graaff, C., Ruijter, E., Orru, R.V.A., (2012) Chem. Soc. Rev., 41, pp. 3969-4009Hernandez, J.G., Juaristi, E., (2012) Chem. Commun., 48, pp. 5396-5409Domling, A., Wang, W., Wang, K., (2012) Chem. Rev., 112, pp. 3083-3135Van Berkel, S.S., Bogels, B.G.M., Wijdeven, M.A., Westermann, B., Rutjes, F., (2012) Eur. J. Org. Chem., pp. 3543-3559Vercillo, O.E., Andrade, C.K.Z., Wessjohann, L.A., (2008) Org. Lett., 10, pp. 205-208Basso, A., Banfi, L., Riva, R., (2010) Eur. J. Org. Chem., pp. 1831-1841Domling, A., (2006) Chem. Rev., 106, pp. 17-89Ugi, I., (1959) Angew. Chem., Int. Ed., 71, p. 386Cheron, N., Ramozzi, R., El Kaim, L., Grimaud, L., Fleurat-Lessard, P., (2012) J. Org. Chem., 77, pp. 1361-1366Coelho, F., Eberlin, M.N., (2011) Angew. Chem., Int. Ed., 50, pp. 5261-5263Li, R.M., Smith, R.L., Kenttamaa, H.I., (1996) J. Am. Chem. Soc., 118, pp. 5056-5061Dos Santos, M.R., Diniz, J.R., Arouca, A.M., Gomes, A.F., Gozzo, F.C., Tamborim, S.M., Parize, A.L., Neto, B.A.D., (2012) ChemSusChem, 5, pp. 716-726Oliveira, F.F.D., Dos Santos, M.R., Lalli, P.M., Schmidt, E.M., Bakuzis, P., Lapis, A.A.M., Monteiro, A.L., Neto, B.A.D., (2011) J. Org. Chem., 76, pp. 10140-10147Alvim, H.G.O., De Lima, T.B., De Oliveira, H.C.B., Gozzo, F.C., De MacEdo, J.L., Abdelnur, P.V., Silva, W.A., Neto, B.A.D., (2013) ACS Catal., 3, pp. 1420-1430Vikse, K.L., Henderson, M.A., Oliver, A.G., McIndoe, J.S., (2010) Chem. Commun., 46, pp. 7412-7414Limberger, J., Leal, B.C., Back, D.F., Dupont, J., Monteiro, A.L., (2012) Adv. Synth. Catal., 354, pp. 1429-1436Vikse, K.L., Ahmadi, Z., Manning, C.C., Harrington, D.A., McIndoe, J.S., (2011) Angew. Chem., Int. Ed., 50, pp. 8304-8306Gozzo, F.C., Santos, L.S., Augusti, R., Consorti, C.S., Dupont, J., Eberlin, M.N., (2004) Chem.-Eur. J., 10, pp. 6187-6193Lapthorn, C., Pullen, F., Chowdhry, B.Z., (2013) Mass Spectrom. Rev., 32, pp. 43-71Lalli, P.M., Corilo, Y.E., De Sa, G.F., Daroda, R.J., De Souza, V., Souza, G., Campuzano, I., Eberlin, M.N., (2011) ChemPhysChem, 12, pp. 1444-144

Bilan du plan quinquennal relatif aux foyers de travailleurs migrants

International audience(Circ. DPM/CI n° 2000/140 du 13 mars 2000