• Química nova e JBCS: os periódicos de química de maior fator de impacto na América Latina Editorial

    Andrade, Jailson B. de
  • Synthesis of ceramic membranes by sol-gel method using TEOS and N,N-dimethylformamide Artigo

    Lenza, Rúbia Francisca Silva; Vasconcelos, Wander Luiz

    Abstract in English:

    In this work we obtained microporous and mesoporous silica membranes by sol-gel processing. Tetraethylortosilicate (TEOS) was used as precursor. Nitric acid was used as catalyst. In order to study the affect of N,N-dimethylformamide (NDF) as drying additive, we used a molar ratio TEOS/NDF of 1/3. The performance of N,N-dimethylformamide was evaluated through monolithicity measurements. The structural evolutions occurring during the sol-gel transition and in the interconnected network of the membranes during thermal treatment were monitored by Fourier transform infrared spectroscopy (FTIR), thermogravimetric analyses and nitrogen sorption. We noted that in the presence of N,N-dimethylformamide, polymerization goes through a temporary stabilization of oligomers. The Si-O(H) bonds are stronger and belong to a more cross-linked structure for the N,N-dimethylformamide containing sol. The membranes obtained in the presence of N,N-dimethylformamide have larger surface area and its pore structure is in the range of mesoporous. The membranes obtained without additive have pore structure in the range of microporous.
  • Oxochloroalkoxide of the Cerium (IV) and Titanium (IV) as oxides precursor

    Machado, Luiz Carlos; Morigaki, Milton Koiti; Marins, Antonio Augusto Lopes; Muri, Emanuel José Bassani; Freitas, Jair Carlos Checon de

    Abstract in English:

    The Cerium (IV) and Titanium (IV) oxides mixture (CeO2-3TiO2) was prepared by thermal treatment of the oxochloroisopropoxide of Cerium (IV) and Titanium (IV). The chemical route utilizing the Cerium (III) chloride alcoholic complex and Titanium (IV) isopropoxide is presented. The compound Ce5Ti15Cl16O30 (iOPr)4(OH-Et)15 was characterized by elemental analysis, FTIR and TG/DTG. The X-ray diffraction patterns of the oxides resulting from the thermal decomposition of the precursor at 1000 °C for 36 h indicated the formation of cubic cerianite (a = 5.417Å) and tetragonal rutile (a = 4.592Å) and (c = 2.962 Å), with apparent crystallite sizes around 38 and 55nm, respectively.
  • Sequential cluster analyses applied to the study of atmospheric particles Artigo

    Braga, Cláudia Flores; Teixeira, Elba Calesso; Migliavacca, Daniela; Carvalho, Fabiana G.; Fachel, Jandyra

    Abstract in English:

    The present paper has as objective to apply a sequential Cluster Analysis to the atmospheric particles: Hierarchical Cluster Analysis followed by Nonhierarchical Cluster Analysis. The hierarchical cluster analysis results were used as start point for the nonhierarchical cluster analysis as an agglomerative technique. These particles were taken from two areas of the metropolitan region of Porto Alegre, Charqueadas and Sapucaia do Sul., from may /97 to may/98, using a High Volume Sampler (Hi-Vol). Around 10,000 particles were analysed by Scanning Electron Microscope with Energy-Dispersive X-Ray microanalysis (SEM-EDS). The Hierarchical Cluster Analysis allowed the identification of five groups of particles, whose amounts were differentiated according to the summer and the winter campaigns. The abundance of each type of particles inside each group according to the different sections was verified by the Nonhierarchical Cluster Analysis, resulting in information about the emissions sources. The groups of particles of Si/Al and Si and of Fe/Zn and Fe for Charqueadas were more significant in section 2 and 3 (NW and W wind directions) and in section 1 (SE wind direction), evidencing the influence of the coal power plant and steel industry, respectively located in these quadrants. In Sapucaia do Sul the data were more heterogeneous, causing a certain difficulty to identify the source as anthropogenic. Nevertheless the group of particles containing Fe was found in sectors of NW/W wind directions which shows the influence of the steel plant.
  • Tensoactivity of humic acids from distinct environments Artigo

    Rauen, Thalita Grando; Debacher, Nito Ângelo; Sierra, Maria Marta de Souza; Soriano Sierra, Eduardo Juan

    Abstract in English:

    The surface activity of humic acids (HA) is a parameter which might be considered in the evaluation of all types of aggregation of these substances. In this work the surface tension of aquatic and terrestrial-HA aqueous solutions was observed under varied conditions of pH, concentration and ionic strength. Results showed that HA present surface activity for a extent range of concentration. The surface tension decreases with HA concentration increasing and, for all samples exist a concentration value above which a reduction in the rate of the solute migration to the solution surface is observed. This value is sensibly reduced and sharpened with the increasing of the ionic strength. Surface tension is also reduced with the acidity increasing, being a minimum reached between pH 3 and 5. Observed effects are explained in view of conformational arrangements of HA which tend to agglomerate in micelle-like domains in aqueous solutions.
  • Effect of the aplication of fatty acids on "Lipoxygenase Pathway" from soybean leaves Artigo

    Batista, Rosa Bárbara; Oliveira, Maria Goreti de Almeida; Pires, Christiano Vieira; Lanna, Anna Cristina; Gomes, Maria Regina Araújo; José, Inês Chamel; Piovesan, Newton Deniz; Rezende, Sebastião Tavares de; Moreira, Maurilio Alves

    Abstract in English:

    The involvement of lipoxygenase isozymes in several physiological processes of plants has been described but their role is not well understood and more biochemical studies are needed to elucidate the role of the "Lipoxygenase Pathway" in plant physiology. Thus, the biochemical and kinetic characterization of a lipoxygenases "pool" from soybean leaves was carried out. Two genotypes were used: IAC-100 (a normal variety having lipoxygenases in the seeds) and IAC-100 TN (genetically modified genotype, which is devoid of lipoxygenases in the seeds). The plants were submitted to the application of fatty acids (lipoxygenase substrates) on leaves. The results of the biochemical and kinetic studies of lipoxygenase isozymes from leaves of the two genotypes analysed showed that genetic removal of lipoxygenase from seeds did not affect the response of the plant to the treatment, since both genotypes showed similar results.
  • Enantioselective synthesis of aziridines using asymmetric transfer hydrogenation as a precursor for chiral derivatives used as bonding agent for rocket solid propellants

    Kawamoto, Aparecida M.; Wills, Martin

    Abstract in English:

    A rapid, expedient and enantioselective method for the synthesis of beta-hydroxy amines and monosubstituted aziridines in up to 99% e.e., via asymmetric transfer hydrogenation of a-amino ketones and cyclisation through treatment with tosyl chloride and base, is described. (1R,2R)-N-(para-toluenesulfonyl)-1,2-ethylenediamine with formic acid has been utilised as a ligand for the Ruthenium (II) catalysed enantioselective transfer hydrogenation of the ketones.The chiral 2-methyl aziridine, which is a potentially more efficient bonding agent for Rocket Solid Propellant has been successfully achieved.
  • Study of iron oxide quantity on bottom ashes from mineral coal to glass ceramic production Artigo

    Kniess, Cláudia Terezinha; Kuhnen, Nivaldo Cabral; Riella, Humberto Gracher; Neves, Etney; Borba, Cristina Doneda Gomes de

    Abstract in English:

    Bottom ash has been used as raw material to glass and glass ceramic production because it is a source of SiO2 and Al2O3. However, the high concentration of iron (about 10% wt.) difficulty the control of the nucleation and the crystallization processes. The iron content was reduced by magnetic process, where the magnetite phase was mainly removed. In order to compare glass ceramics obtained from original and low iron bottom ashes, microstructural and dilatometric characterizations were performed.
  • Spectrophotometric aluminium determination in high salts concentrations solution used in hemodyalisis emploing preconcentration in flow injection Artigo

    Pereira, Maria do Socorro Silva; Reis, Boaventura Freire dos

    Abstract in English:

    An automatic flow injection procedure for spectrophotometric aluminium determination in purified water and solutions containing high salts concentrations used for hemodyalisis treatment was developed. The method was base on reaction of Al3+ with cianine eriochrome R (ECR) after preconcentration using the AG50W-X8 cationic-exchange resin. Elution was carried out using a 1 % (m/v) calcium chloride solution. The manifold comprised an automatic proporcional injector controlled by a computer equipped with an eletronic interface and software written in QuicBASIC 4.5 with facilities to control the injector and perform data acquisition. Samples with concentration ranging from 4.96 to 19.90 µg L-1 Al were analyzed and recoveries between 88 and 113% were obtained by using the standard addition method. Other profitable analytical characteristics such as a relative standard deviation 1.3 % (n = 10) for a typical sample 14.5 µg L-1 Al, a linear response ranging up to 60.0 µg L-1Al, and a sampling throughput of 10 determinations per hour were achieved. A detection limit of 4.2 µg L-1 Al was estimated as suggested by IUPAC.
  • Synthesis, characterization and study of magnetic and catalytic properties of dispersed Ni nanoparticles on mesoporous SiO2 matrix Artigo

    Carreño, Neftalí L. V.; Leite, Edson R.; Santos, Luís P. S.; Lisboa-Filho, Paulo N.; Longo, Elson; Araújo, Geórgia C. L.; Barison, Andersson; Ferreira, Antônio G.; Valentini, Antoninho; Probst, Luiz Fernando D.

    Abstract in English:

    Nickel nanoparticles supported on amorphous silica ceramic matrix were synthesized by the polymeric precursor method. The nanostructure was characterized by NMR, BET, XRD, SEM, TEM, and flame atomic absorption spectrometry techniques. It was observed a dependence of the crystallite size on the thermal annealing, under a N2 atmosphere. The materials presented a high catalytic activity and selectivity upon the beta-pinene hydrogenation reaction. The magnetic hystereses were also correlated with the morphology of the processed material.
  • Preparation and characterization of collagen-chitosan blends Artigo

    Tonhi, Edivan; Plepis, Ana Maria de Guzzi

    Abstract in English:

    Biodegradable polymer blends were obtained using collagen and chitosan. Membranes of collagen and chitosan in different proportions (3:1, 1:1 and 1:3) were prepared by mixing their acetate solutions (pH 3.5) at room temperature. The blends were characterized by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), Fourier Transform infrared (FTIR) spectroscopy, specific viscosity, water absorption and stress-strain assays. The results showed that chitosan did not interfere in the structural arrangement of the collagen triple helix and the properties of the blends can be controlled by varing the proportion of the collagen and the chitosan.
  • Application of some chemometric methods to energy dispersive X-ray fluorescence spectrometry Artigo

    Schimidt, Fernando; Bueno, Maria Izabel M. S.; Poppi, Ronei J.

    Abstract in English:

    The objective of this work was to accomplish the simultaneous determination of some chemical elements by Energy Dispersive X-ray Fluorescence (EDXRF) Spectroscopy through multivariate calibration in several sample types. The multivariate calibration models were: Back Propagation neural network, Levemberg-Marquardt neural network and Radial Basis Function neural network, fuzzy modeling and Partial Least Squares Regression. The samples were soil standards, plant standards, and mixtures of lead and sulfur salts diluted in silica. The smallest Root Mean Square errors (RMS) were obtained with Back Propagation neural networks, which solved main EDXRF problems in a better way.
  • Methodology to obtain molecular mechanics parameters applied to coordination compounds Artigo

    Almeida, Carlos Henrique Ferreira; Machuca-Herrera, Juan Omar; Machado, Sérgio de Paula

    Abstract in English:

    A methodology is presented to obtain force field parameters to be used in molecular mechanics. The case of Ru(II) is investigated and the parameters obtained, specially its covalent radii, are employed to model Ru(II) coordination compound. The combined use of molecular mechanics with ab initio methods allowed us to predict the metal-ligand stretching force constant for Ru(II) coordination compounds.
  • Chemistry of supramolecular systems containing porphyrins and metal complexes Revisão

    Araki, Koiti; Toma, Henrique Eisi

    Abstract in English:

    Supramolecular chemistry is expected to keep a high developing pace in the next years, giving support to the advancement of molecular devices and nanotechnology. In this sense, porphyrins and their analogues should play a significant role as a consequence of their catalytic, electrocatalytic, photochemical and photoelectrochemical properties. In this review we focused on our own strategy based on coordination chemistry for the design and build-up of supermolecules and supramolecular structures constituted by polynuclear porphyrins and metalloporphyrins. Included are also their properties and potential applications.
  • Bioreductive antineoplastic agents: a new approach to the treatment of solid tumors Revisão

    Oliveira, Renata Barbosa de; Alves, Ricardo José

    Abstract in English:

    A problem often encountered in cancer therapy is the presence of tumor cell subpopulation that are resistant to treatment. Solid tumors frequently contain hypoxic cells that are resistant to killing by ionizing radiation and also by many chemotherapeutic agents. However, these hypoxic cells can be exploited for therapy by non-toxic hypoxic-activated prodrugs. Bioreductive drugs require metabolic reduction to generate cytotoxic metabolites. This process is facilitated by appropriate reductases and the lower oxygen conditions present in solid tumors. The unique presence of hypoxic cells in human tumors provides an important target for selective cancer therapy.
  • Surface organometallic chemistry applied to the preparation of well defined heterogeneous catalysts Revisão

    Wolke, Silvana I.; Buffon, Regina

    Abstract in English:

    The study of the reactions of organometallic complexes with the surfaces of inorganic oxides, zeolites and metals constitutes the basis of Surface Organometallic Chemistry (SOMC). The basic rules of organometallic chemistry are often valid when applied to surfaces and well-defined surface organometallic complexes can be obtained. These complexes can be used as heterogeneous catalysts or, by controlled reactions, can be transformed in other species useful for a given catalytic reaction. In some cases, these catalysts exhibit higher activity and/or selectivity than their analogous molecular complexes.
  • DDT (dichlorodiphenyltrichloroethane): toxicity and environmental contamnation - a review Revisão

    D'Amato, Claudio; Torres, João P. M.; Malm, Olaf

    Abstract in English:

    DDT and others organochlorine insecticides are very persistent substances. Clinical symptoms of intoxication have been reported in humans, although the main problem concerning such substances is bioaccumulation and biomagnification along throphic chains, leading to contamination of top predators and humans after them. In this review these characteristics are described, as well as some aspects of the control of vector borne diseases, like leishmaniasis and malaria, which were until recently, controlled by the health authorities using DDT.
  • Chemiluminescence as an analytical tool: from the mechanism to applications of the reaction of luminol in kinetic based methods Divulgação

    Ferreira, Ernesto Correa; Rossi, Adriana Vitorino

    Abstract in English:

    Relevant aspects of proposed mechanisms of the chemiluminescent reaction of luminol are presented and commented to emphasize its perspectives for kinetic analysis. A careful search for analytical applications of this reaction is discussed in order to point out new trends of the studies. Kinetic analysis using the luminol reaction is proposed to be a very attractive due to the good performance of the reaction in analytical applications and the positive characteristics of kinetic analysis, such as low cost and sensibility. It is pointed out that kinetic analysis using the chemiluminescent reaction of luminol should be encouraged.
  • Trends in amperometric electrodes modification for electroanalytical applications Divulgação

    Pereira, Arnaldo César; Santos, Antonio de Santana; Kubota, Lauro Tatsuo

    Abstract in English:

    The most relevant advances on the analytical applications of chemically modified electrodes (CME) are presented. CME have received great attention due to the possibility of electrode surface modification including chemisorption, composite generation and polymer coating. In recent years, the interest in CME has increased overall to improve the sensitivity and selectivity of the electroanalytical probes, considering the electron mediator incorporation and the new conducting polymers development. The general procedures employed for the electrode modification and the operational characteristics of some electrochemical sensors are discussed.
  • Using nuclear magnetic resonance spectroscopy to study molecular diffusion in liquids: the DOSY technique Divulgação

    Souza, Alexandre Araújo de; Laverde Jr., Antonio

    Abstract in English:

    Diffusion coefficients provide uniquely detailed and easily interpreted information on molecular organization and phase structure. They are quite sensitive to structural changes, and to binding and association phenomena, in particular for liquid colloidal or macromolecular systems. This paper describes the principles of diffusion measurements in liquids by pulsed magnetic field gradient spin-echo (PFG-SE) NMR spectroscopy. The important PFG-SE technique known as DOSY is presented and discussed. This is a noninvasive technique that can provide individual multicomponent translational diffusion coefficients with good precision in a few minutes, without the need for radioactive isotopic labelling.
  • A new experimental procedure to obtain titania powders as anatase phase by a sol-gel process Nota técnica

    Farias, Robson Fernandes de

    Abstract in English:

    Titania powders were synthesized by a sol-gel process using titanium tetrabutoxide as precursor. The syntheses were performed in water or in solutions of dimethylformamide (dmf) or dimethylsulfoxide (dmso). It is demonstrated, by X-ray diffraction patterns of the synthesized powders, that the samples obtained in dmf or dmso solutions are crystalline (anatase phase) with some minor amount of brookite phase, whereas the sample synthesized in water is amorphous. The anatase phase can be obtained independently of any previous or further treatment of the synthesized powder, such as hydrothermal or heat treatment, providing a new, simple, quick and inexpensive route to synthesize anatase powders. From the peak broadening of the anatase (101) diffraction, the crystallite sizes were calculated as 6 nm.
  • SSPBE: a program for numerical solution of the spherically symmetric Poisson-Boltzmann equation along with a site binding model Nota técnica

    Dias, Luís Gustavo; Chaimovich, Hernan; Politi, Mário José

    Abstract in English:

    A Fortran77 program, SSPBE, designed to solve the spherically symmetric Poisson-Boltzmann equation using cell model for ionic macromolecular aggregates or macroions is presented. The program includes an adsorption model for ions at the aggregate surface. The working algorithm solves the Poisson-Boltzmann equation in the integral representation using the Picard iteration method. Input parameters are introduced via an ASCII file, sspbe.txt. Output files yield the radial distances versus mean field potentials and average molar ion concentrations, the molar concentration of ions at the cell boundary, the self-consistent degree of ion adsorption from the surface and other related data. Ion binding to ionic, zwitterionic and reverse micelles are presented as representative examples of the applications of the SSPBE program.
  • A multi purpose experiment for general chemistry laboratory Educação

    Simoni, Déborah de Alencar; Andrade, João Carlos de; Faigle, José Fernando Gregório; Simoni, José de Alencar

    Abstract in English:

    This article suggests a sequence of experiments on the preparation, analysis and some photochemical aspects of potassium tris (oxalato) ferrate(III) trihydrate. The sequence of experiments could be carried out in four or five 4-hour laboratory periods. The new part of this article is related to the kinetics studies involving the ambient illumination as well as the use of the cellophane paper of different colors as light filters. The aspects such as quantum yield, light absorption and photochemical reactions are explored in order to illustrate the relationships between the exposure time, light intensity and wavelength range on the photochemical reactions.
  • Between baton and test tube: the admirable career of Alexander Borodin Assuntos gerais

    Filgueiras, Carlos A. L.

    Abstract in English:

    Alexander Borodin (1833-1887) is a singularity in the history of science. Whereas other scientists may have kept lifelong interests in some artistic field, he was unique in pursuing with great success two parallel careers in both chemistry and music, managing to excell in both to the end of his life. Although he considered himself primarily a chemist, present-day appreciation of his powerful music has greatly surpassed interest for his chemistry. This article treats the life and the unusual double career of the Russian chemist-musician.
  • Fundamentals and applications of spectroscopic ellipsometry Errata

    Gonçalves, Débora; Irene, Eugene A.
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