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Artigos Científicos - FAQUI/ICEN

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Acesso aberto (Open Access)
A química na região Norte
(1997-12) ARRUDA, Alberto Cardoso
A historical overview of CHEMISTRY SCIENCE from the beginning of the ESCOLA DE QUÍMICA INDUSTRIAL DO PARÁ in the northern region of Brazil is given. Reports were conducted on graduate and under graduate coursework within research and teaching institutions in each State of the Amazon region. Data collection included teaching, research and industrial activities.
Acesso aberto (Open Access)
A statistical evaluation of the effects of process variables during catalytic hydrogenation of passion fruit (passiflora edulis) seed oil
(1998-03) ANDRADE, Géssie Maria Silva de; ROCHA FILHO, Geraldo Narciso da; TAQUEDA, Maria Elena Santos
Hydrogenation of passion fruit (passiflora edulis) seed oil was carried out with a commercial nickel/silica catalyst under different experimental conditions. The influence of reaction parameters (reaction temperature, hydrogen pressure, amount of catalyst, agitation rate and reaction time) on the response variable (iodine value) was studied using a central composite rotatable design and six center points for replication. Under the experimental conditions used, the model response equations for the iodine value showed good agreement with the experimental results.
Acesso aberto (Open Access)
Structure-activity relationship of compounds which are anti-schistosomiasis active
(1998-12) ALVES, Claudio Nahum; BARROSO, Lucia Pereira; SANTOS, Lourivaldo da Silva; JARDIM, Iselino Nogueira
The molecular orbital method AM1 was employed to calculate a set of molecular descriptors for twenty synthetic neolignan derivatives with anti-schistosomiasis activity. The pattern recognition method (principal component analysis PCA and cluster analysis CA and discriminant analysis methods) have been employed to obtain the relationship between the molecular descriptors and biological activity. The set of molecules was classified into two groups according to their degree of biological activity. These results allow us to rationally project new compounds, potential candidates for synthesis and biological evaluation.
Acesso aberto (Open Access)
Coumarins and Alkaloids from the Stems of Metrodorea Flavida
(1999) GONÇALVES, Ana Cristina Baetas; ARRUDA, Mara Silvia Pinheiro; MÜLLER, Adolfo Henrique; ARRUDA, Alberto Cardoso
A new coumarin, 5,6-methylenedioxy-7,8-dimethoxycoumarin has been isolated from the stems of Metrodorea flavida, as well as known coumarins and alkaloids. The structures of the new and the known compounds were established by spectral data and by comparison with the literature data.
Acesso aberto (Open Access)
Two Dibenzylbutyrolactol derivatives and other chemical constituents from Aristolochia peltato-deltoidea
(1999-04) SILVA, Ana Paula Freitas da; PALMEIRA JUNIOR, Sebastião Ferreira; CONSERVA, Lucia Maria; GUILHON, Giselle Maria Skelding Pinheiro
The hexane extract from the aerial parts of Aristolochia peltato-deltoidea Hoehne (Aristolochiaceae) afforded two new epimeric lignans of the type dibenzylbutyrolactol, rel-(8R, 8 S, 9S)-3,4-dimethoxy-3 ,4 -methylenedioxy-9b-ethoxy- and rel-(8R, 8 S, 9R)-3,4-dimethoxy-3 ,4 -methylenedioxy-9a-ethoxy-lignans-8.8 ,9.O.9 , besides a benzofuran neolignan, known as eupomatenoid-7, a-tocopherylquinone, b-sitosterol and stigmasterol. From the chloroform extract were isolated two diastereomeric dibenzylbutyrolactone lignans: rel-(8R, 8 R)- and rel-(8R, 8 S)-3,4-dimethoxy-3 ,4 -methylenedioxy-9-oxo-lignans-8.8 ,9.O.9 . Chemical composition analysis by GC/MS of the non polar fractions from the hexane extract was also carried out and ten components were identified. The structures of the isolated compounds were elucidated utilizing spectrometric methods.
Acesso aberto (Open Access)
Investigação espectroscópica dos carbonilos heterobimetálicos cis-[Fe(CO)4(HgX)2], X = Cl, Br, I
(1999-12) ZAMIAN, José Roberto; MAURO, Antônio Eduardo; NOGUEIRA, Vânia Martins
Spectroscopic studies of heterobimetallic carbonyls cis-[Fe(CO)4(Hgx)2], X=Cl, Br, I.The series of compounds cis-[Fe(CO)4(HgX)2], X=Cl,Br, I shows an octahedral geometry around the iron atom with the two HgX groups cis to each other. In this paper the assignment for the carbonyl stretching modes and the calculation of their force constants were performed on the basis of the Cotton-Krainhanzel model. Taking into account all the data from the IR, 199Hg NMR and UV-vis spectra it is possible to verify the influence of X on the electronic densities at the metallic centers.
Acesso aberto (Open Access)
Thermal decomposition and stability in a series of heterobimetallic carbonyl compounds of the type [Fe(CO)4(HgX)2] (X=Cl, Br, I)
(2000) ZAMIAN, José Roberto; MAURO, Antônio Eduardo; NUNES, Carolina Coimbra; ALMEIDA, Eduardo Tonon de
Foram preparados compostos carbonílicos heterobimetálicos do tipo [Fe(CO)4(HgX)2] ( X= Cl, Br, I), contendo ligação metal-metal, objetivando investigar suas estabilidades térmicas em função do halogênio coordenado aos átomos de mercúrio. A caracterização destes complexos foi feita usando-se de técnicas espectroscópicas de infravermelho e ressonância magnética nuclear, além de análise elementar. O produto final das termodecomposições foi identificado através de espectroscopia no infravermelho e difratograma de raios-X, método de pó.
Acesso aberto (Open Access)
Determinação direta de selênio em água de coco e em leite de coco utilizando espectrometria de absorção atômica com atomização eletrotérmica em forno de grafite
(2000-06) ALEIXO, Poliana Carolina; NÓBREGA, Joaquim de Araújo; SANTOS JÚNIOR, Dário; MÜLLER, Regina Celi Sarkis
Selenium is both essential and toxic to man and animals, depending on the concentration and the ingested form. Most fruits and vegetables are poor sources of selenium, but coconut can be a good selenium source. Samples were suspended (1 + 4 v/v) in a mixture of tertiary amines soluble in water (10% v/v CFA-C). This simple sample treatment avoided contamination and decreased the analysis time. The standard additions method was adopted for quantification. The action of the autosampler was improved by the presence of the amines mixture in the suspension. A Varian model AA-800 atomic absorption spectrometer equipped with a graphite furnace and a GTA 100 autosampler was used for selenium determination in coconut water and coconut milk. Background correction was performed by means of the Zeeman effect. Pyrolytically coated graphite tubes were employed. Using Pd as chemical modifier, the pyrolysis and the atomization temperatures were set at 1400 and 2200oC, respectively. For six samples, the selenium concentration in coconut water varied from 6.5 to 21.0 mg L-1 and in coconut milk from 24.2 to 25.1 mg L-1. The accuracy of the proposed method was evaluated by an addition-recovery experiment and all recovered values are in the 99.5-102.3% range. The main advantage of the proposed method is that it can be directly applied without sample decomposition.
Acesso aberto (Open Access)
Flavones from the Leaves of Ficus gomelleira
(2001-08) AMARAL, Daniel Ferreira; ARRUDA, Mara Silvia Pinheiro; ARRUDA, Alberto Cardoso; MÜLLER, Adolfo Henrique; PANTOJA, Luna Luana de Jesus; LIMA, Tania Maria da Silva
Two new flavones, 5 -hydroxy -7,5' -dimethoxy -3',4' -methylenedioxyflavone and 5 -hydroxy -7,3',5' -trimethoxy -4' -(3,3 -dimethylallyloxy) flavone, as well as three known flavones: 5,6,7,3',4',5' -hexamethoxyflavone, 5 -hydroxy -8,3',4' -trimethoxy -2'',2'' -dimethylpyrano (5",6":6,7) -flavone and 5 -hydroxy -8,3',4',5' -tetramethoxy -2'',2'' -dimethylpyrano (5",6":6,7) -flavone were isolated from the leaves of Ficus gomelleira. Their structures were elucidated by spectroscopic methods and comparison with literature data.
Acesso aberto (Open Access)
Determinação espectrofotométrica do arsênio em cabelo usando o método do dietilditiocarbamato de prata (SDDC) e trietanolamina/CHCl3 como solvente
(2002) PEREIRA, Simone de Fátima Pinheiro; FERREIRA, Sérgio Luis Costa; COSTA, Antonio Celso Spínola; SARAIVA, Augusto Cesar Fonseca; SILVA, Antonia Kelen Frota
The silver diethyldithiocarbamate (SDDC) method, has been employed for the determination of arsenic in different materials. The disagreeable odor of the pyridine, the lower stability and reproducibility of the complex are justifications for many works related to the alternatives of the method. The SDDC/pyridine system was substituted for system using triethanolamine 5% v/v in chloroform with many advantages. The method was used for arsenic determination in hair samples with good recovery. Many kinds of digestions was studied.
Acesso aberto (Open Access)
A structure-activity relationship (SAR) study of neolignan compounds with anti-schistosomiasis activity
(2002-06) ALVES, Claudio Nahum; MACEDO, Luiz Guilherme Machado de; HONORIO, Kathia Maria; CAMARGO, Ademir João; SANTOS, Lourivaldo da Silva; JARDIM, Iselino Nogueira; BARATA, Lauro Euclides Soares; SILVA, Alberico Borges Ferreira da
A set of eighteen neolignan derivative compounds with anti-schistosomiasis activity was studied by using the quantum mechanical semi-empirical method PM3 and other theoretical methods in order to calculate selected molecular properties (variables or descriptors) to be correlated to their biological activities. Exploratory data analysis (principal component analysis, PCA, and hierarchical cluster analysis, HCA), discriminant analysis (DA) and the Kth nearest neighbor (KNN) method were employed for obtaining possible relationships between the calculated descriptors and the biological activities studied and predicting the anti-schistosomiasis activity of new compounds from a test set. The molecular descriptors responsible for the separation between active and inactive compounds were: hydration energy (HE), molecular refractivity (MR) and charge on the C19 carbon atom (Q19). These descriptors give information on the kind of interaction that can occur between the compounds and their respective biological receptor. The prediction study was done with a new set of ten derivative compounds by using the PCA, HCA, DA and KNN methods and only five of them were predicted as active against schistosomiasis.
Acesso aberto (Open Access)
Seasonal variation in the essential oil of Pilocarpus microphyllus Stapf.
(2003-03) TAVEIRA, Francisca Socorro Nascimento; ANDRADE, Eloisa Helena de Aguiar; LIMA, Waterloo Napoleão de; MAIA, José Guilherme Soares
The essential oils of the leaves and fine stems of Pilocarpus microphyllus, collected on iron mineralized soil of the Serra de Carajás, Southeast of Pará State, Brazil, during the rainy and dry seasons, were obtained by hydrodistillation and analyzed by GC-MS. The main identified compounds were 2-tridecanone, b-caryophyllene, 2-pentadecanone, caryophyllene oxide and germacrene D. Their percentage contents varied with the season, the greater values having been detected mainly in the rainy season. For 2-tridecanone and b-caryophyllene the higher values were observed in the fine stem oils for the former, and in the leaf oils for the latter. For 2-pentadecanone, caryophyllene oxide and germacrene D they were also in the leaf oils. In general, the leaf oils were very distinguishable from those of fine stem oils, even in the same specimen.
Acesso aberto (Open Access)
A study of neolignan compounds with biological activity against Paracoccidioides brasiliensis by using quantum chemical and chemometric methods
(2003-10) CAMARGO, Ademir João; HONORIO, Kathia Maria; MERCADANTE, Ricardo; MOLFETTA, Fábio Alberto de; ALVES, Claudio Nahum; SILVA, Alberico Borges Ferreira da
Chemometric (statistical) methods are employed to classify a set of neolignan compounds with activity against Paracoccidioides brasiliensis. The AM1 (Austin Model 1) method was used to calculate a set of molecular descriptors (properties) of the neolignan compounds under study. The descriptors were further analyzed using Principal Components Analysis (PCA), Hierarchical Cluster Analysis (HCA) and K-Nearest Neighbor (KNN) chemometric methods. The PCA and HCA methods were quite efficient to classify the compounds into two groups (active and inactive) and three descriptors were found to be important in the classification: the highest occupied molecular orbital energy (EHOMO), the bond order between C1'-R7 atoms (L14) and the bond order between C5' -R6 atoms (L22). The three variables responsible for the separation between active and inactive compounds are all electronic descriptors, therefore we can conclude that electronic effects should have an important role when one is trying to understand the activity of neolignan compounds against Paracoccidioides brasiliensis.
Acesso aberto (Open Access)
Production of L-asparaginase by filamentous fungi
(2004-08) SARQUIS, Maria Inez de Moura; OLIVEIRA, Edna Maria Morais; SANTOS, Alberdan Silva; COSTA, Gisela Lara da
L-asparaginase production was investigated in the filamentous fungi Aspergillus tamarii and Aspergillus terreus. The fungi were cultivated in medium containing different nitrogen sources. A. terreus showed the highest L-asparaginase (activity) production level (58 U/L) when cultivated in a 2% proline medium. Both fungi presented the lowest level of L-asparaginase production in the presence of glutamine and urea as nitrogen sources. These results suggest that L-asparaginase production by of filamentous fungi is under nitrogen regulation.
Acesso aberto (Open Access)
Simultaneous spectrometric determination of Cu2+, Mn2+ and Zn2+ in polivitaminic/polimineral drug using SPA and GA algorithms for variable selection
(2005-02) DANTAS FILHO, Heronides Adonias; SOUZA, Ênio Sartre Oliveira Nunes de; VISANI, Valeria; BARROS, Sara Regina Ribeiro Carneiro de; SALDANHA, Teresa Cristina Bezerra; ARAÚJO, Mário César Ugulino de; GALVÃO, Roberto Kawakami Harrop
The application of the method for the simultaneous spectrophotometric determination of the divalent ions of copper, manganese and zinc for analysis of a pharmaceutical formulation of polivitaminic/polimineral is reported. This method uses 4-(2-pyridylazo) resorcinol (PAR) and multivariate calibration and was optimized using the successive projections algorithm (SPA) and a genetic algorithm (GA) for choosing the best series of wavelengths for analysis. Thus the construction of calibration models based on multiple linear regression (MLR-SPA and MLR-GA respectively) was made possible. The results obtained were compared with models based on latent variables, principal component regression (PCR) and partial least square regression (PLS) through the criterion of the root mean square error of prediction (RMSEP). All the methods presented even performance but the RLM methods are simpler since they require a smaller number of wavelengths and are easier to interpret than those based on latent variables.
Acesso aberto (Open Access)
Aleloquímico produzido pela gramínea forrageira Brachiaria humidicola
(2005-03) SOUZA FILHO, Antonio Pedro da Silva; PEREIRA, Angela Albertina Gaspar; BAYMA, Joaquim de Carvalho
The traditional methods of weed control in cultivated pasture do not meet society's present and future needs of protecting natural resources and life quality. An alternative to this problem could be the use of secondary metabolites produced by plants. These products present few risks to the environment and meet society interests. Therefore, this research was carried out to isolate, identify and characterize the allelopathic activity of chemical compounds produced by the forage grass Brachiaria humidicola. The allelopathic effects of the extracts, fractions and compound were tested on seed germination and root elongation of the weeds Mimosa pudica, Senna obtusifolia and Senna occidentalis. Germination bioassays were developed under 25 ºC and a photoperiod of 12 hours. For root elongation, the bioassay conditions were 25 ºC and photoperiod of 24 hours. Hydromethanolic extract was used as a source for isolating and identifying p-coumaric acid. The allelopathic effects were positively related to p-coumaric acid concentration, weed species and the evaluated parameter. Comparatively, S. occidentalis and M. pudica showed the greatest sensitivity to the allelopathic effects. For S. obtusifolia no allelopathic effects promoted by p-coumaric acid on seed germination or on root elongation could be detected under the concentration of 1.0 and 8.0 mg L-1. Root elongation was more sensitive to p-coumaric acid allelophatic effects than seed germination.
Acesso aberto (Open Access)
Biologically active polyketides produced by Penicillium janthinellum isolated as an endophytic fungus from fruits of Melia azedarach
(2005-04) MARINHO, Andrey Moacir do Rosário; RODRIGUES FILHO, Edson; MOITINHO, Maria da Luz Ribeiro; SANTOS, Lourivaldo da Silva
Penicillium janthinellum, isolated as an endophytic fungus from fruits of Melia azedarach, was cultivated over 20 days on ground and autoclaved white corn, where the known polyketides citrinin, emodin, 1,6,8-trihydroxy-3-hydroxymethylanthraquinone, and a new modified anthraquinone, named janthinone, were produced and isolated by classical chromatographic procedures and identified by MS and 1D and 2D NMR spectroscopic data. The antibacterial properties of these polyketides were investigated. Citrinin inhibited 100% of Leishmania growth after 48h at a concentration of 40 μg mL-1.
Acesso aberto (Open Access)
Distribuição do mercúrio em sedimentos de fundo no Estuário de Santos SP/Brasil
(2005-12) SIQUEIRA, Gilmar Wanzeller; BRAGA, Elisabete de Santis; PEREIRA, Simone de Fátima Pinheiro; SILVA, Elisamar da
Bottom sediment samples were collected and analyzed for mercury in the Estuary of Santos-SP. The analytical results reveal anthropogenic contamination for some sectors of this estuarine area as a result of petrochemical and metallurgical residues derived from the Industrial District of Cubatão, from the activities of the State of São Paulo Siderurgy (COSIPA), from the Santos harbor and, finally, from effluents discharged by the submarine emissary into the Bay of Santos. The values for the factor of contamination (FC) found in the bottom sediments range from 1 to 3, mainly for the channels of Santos and São Vicente; however, in the Bay of Santos the FC values (below 1) indicate low contamination except in the discharge area of the submarine emissary.
Acesso aberto (Open Access)
Substâncias químicas com atividades alelopáticas presentes nas folhas de Parkia pendula (Leguminosae)
(2005-12) SOUZA FILHO, Antonio Pedro da Silva; FONSECA, Marcelo Lobato; ARRUDA, Mara Silvia Pinheiro
The objective of this paper was to isolate, identify and characterize the allelopathic activity of chemical compounds produced by Parkia pendula. The allelopathic effects were evaluated on seed germination and radicle elongation of the weeds Mimosa pudica and Senna obtusifolia. The isolation process of the compounds involved the use of solvent in an increasing polarity order for extraction and the structural elucidation was carried out by Nuclear Magnetic Resonance, COPSY's and HETCOR's spectrum. The bioassays were carried out under controlled conditions of 25 ºC of temperature and 12-hour photoperiod for seed germination and 24-hour photoperiod for radicle elongation. The following allelochemicals were isolated and identified in P. pendula's leaves: 3,4,5-trimethoxybenzoic acid (S1), 3,4-dimethoxybenzoic acid (S2) and Blumenol A (S3). Comparatively, S1 and S2 showed greater allelopathic activity. The effects on radicle elongation were greater than those observed on seed germination. The isolated substances showed low inhibition potential on seed germination, especially on S. obtusifolia seeds. The allopathic inhibition effects were positively related to the concentration of the substances, although in some cases, these effects have not corresponded to the statistical differences.
Acesso aberto (Open Access)
Atividade alelopática em folhas de Tachigali myrmecophyla (Leg. - Pap.)
(2005-12) SOUZA FILHO, Antonio Pedro da Silva; LÔBO, Lívia Trindade; ARRUDA, Mara Silvia Pinheiro
The use of forest species with allelopathic activity can promote a higher stability to agroforestry systems, mainly relative to the reduction of weed species. The objective of this study was to isolate and identify chemical substances produced by Tachigali myrmecophyla and characterize its inhibitory allelopathic activity on the germination and seedling development of two weed species. Bioassays were carried out under controlled conditions of 25 ºC and 12-hour photoperiod for germination and 24-hour photoperiod for radicle and hypocotyl development. The extracts and fractions were analyzed under concentrations of 1.0% and 0.5%, and the substance under concentrations of 5, 10, 15 and 20 ppm. The isolation process allowed the identification of the chemical substance 4,5-dihydroblumenol A. This substance showed allelopathic activity, with the effects varying according to concentration, weed species and the plant parameter analyzed. The intensity of the allelopathic effects was positively associated to the concentration. Mimosa pudica was the most affected weed species. Radicle development was more sensitive plant to the substance effects than hypocotyl development and seedling germination.