• Editorial

    Dias, Ayres G.; Fereira, Vitor F.
  • Avaliação das condições ambientais da lagoa de Varano, no sul da Itália Artigo

    Pelosi, Sergio; Franchi, Massimo

    Abstract in English:

    In the sediments of Varano lagoon (South Italy) were evaluated the concentration of some toxic heavy metals. Besides in the same sites were determinated the bioluminescent inhibition of eluate sediments by Toxalert® 10 and all matrix datas comparated with biological classification proposed by author Frisoni based on abundance level of macrozoobenthos. The results from three tipes of approches (ecotoxicological, chemical and biological ) show a similar trend.
  • Preparación y caracterización de la zeolita MCM-22 y de su precursor laminar

    Pergher, Sibele B. C.; Corma, Avelino; Fornés, Vicente

    Abstract in English:

    The layered precursor of MCM-22 was prepared with different Si/Al ratios: 15, 25, 50, 100 and ¥. Upon heat treatment these precursors form MCM-22 zeolite. Both layered precursor and MCM-22 zeolite were characterized by several techniques: Chemical Analysis by Atomic Absorption Spectroscopy (AAS), X-Ray Diffraction (XRD), Thermo-gravimetric Analysis (TGA), Pore Analysis by N2 and Ar adsorption, Scanning Electron Microscopy (SEM), Infrared Spectroscopy (IR) and Temperature Programmed Desorption of ammonium (TPD).
  • Extração de esteróides em frutos de Ottonia martiana Miq., Piperaceae, com gás liqüefeito Artigo

    Cunico, Miriam Machado; Miguel, Obdúlio Gomes; Miguel, Marilis Dallarmi; Carvalho, João Luiz de Souza; Montrucchio, Deise Prehs; Ferreira, José Laurentino; Oliveira, Juarez Souza de

    Abstract in English:

    A new extraction method for sterols was tested in fruits of Ottonia martiana Miq., a shrub belonging to the family Piperaceae, popularly known as "anestésica" due to the use of its roots and aerial parts, in alcoholic preparations, in treatment of odontological problems. For this purpose, a portable extraction equipment was developed, to operate with liquified gases, which showed to be practical, fast and effective, besides being economical and ecological. In the chromatographic analysis of the extracts obtained in this equipment, it was demonstrated the presence of two sterols, isomers of b-sitosterol and stigmasterol.
  • Fotocatálise eletroquímica de atrazina sobre dióxido de titânio: efeito de diferentes parâmetros experimentais Artigo

    Santana, Henrique de; Bonancêa, Carlos Eduardo; Takashima, Keiko

    Abstract in English:

    The atrazine photoelectrochemical degradation has been examined in solutions containing TiO2 on immobilized films under a variety of experimental conditions. It was possible to observe that the supporting electrolyte nature affects the intensity of the photocurrent, being an indicative of the adsorption process. The disappearance of the organic molecule follows approximately a pseudo-first order kinetic. As mineralization product, NH4+ and NO3- ion have been identified. These results indicated that the formation of NH4+ ion can be associated to the effect of atrazine adsorption, due to need of potential adaptation together with a variation in the supporting electrolyte concentration.
  • Referência geoquímica regional para a interpretação das concentrações de elementos químicos nos sedimentos da bacia do Lago Paranoá - DF Artigo

    Moreira, Ricardo Cosme Arraes; Boaventura, Geraldo Resende

    Abstract in English:

    The present study aimed at determining a regional geochemical reference for sediment samples from Lago Paranoá watershed through the formulation of geoaccumulation indexes. The need for obtaining information from areas representing low human impact was the basis of this work. Systematic evaluations of sediment from Lago Paranoá will bring valuable information regarding the potential risk that this layer represents for aquatic organisms. Thus, despite the recent water quality improvements achieved in this ecosystem, contaminants incorporated in the sediments may be remobilized for alterations in the adjacent environment. The adsorption capacity of chemical elements in sediment samples was controlled through the variation in the amounts of organic matter, the mineralogical composition and the granulometric variation. By creating the Sediment Enrichment Index (SEI) through the normalization of analytical data it was possible to establish the magnitude of this enrichment relatively to naturally occurring concentrations all over the region of interest. Normalized values with organic matter were especially useful for the evaluation of lothic systems.
  • Análise de ácidos graxos por eletroforese capilar utilizando detecção condutométrica sem contato Artigo

    Oliveira, Marcone A. L.; Lago, Claudimir L. do; Tavares, Marina F. M.; Silva, José Alberto Fracassi da

    Abstract in English:

    This article describes a novel approach to the separation of fatty acids ranging from 8 to 20 carbons using capillary electrophoresis with contactless conductivity detection. Complete separation of nine linear chain fatty acids (from C8:0 to C20:0) was achieved in 15 min under normal polarity operation. Limits of detection ranged from 35 to 319 µmol L-1 for C20:0 to C8:0, respectively. The optimized running electrolyte composition was 5.0 mmol L-1 phosphate buffer at pH 7, 4.0 mmol L-1 dimethyl-b-cyclodextrin, 2.0 mmol L-1 trimethyl-b-cyclodextrin, acetonitrile 50% (v/v), and methanol 20% (v/v). The applicability of the separation system was demonstrated by the analysis of coconut vegetable oil.
  • Constituintes químicos de Alchornea glandulosa (Euphorbiaceae) Artigo

    Conegero, Leila de Souza; Ide, Regina Massae; Nazari, Anelise Samara; Sarragiotto, Maria Helena; Dias Filho, Benedito Prado; Nakamura, Celso Vataru; Carvalho, João Ernesto de; Foglio, Mary Ann

    Abstract in English:

    Chemical investigation of the leaves of Alchornea glandulosa (Euphorbiaceae) afforded a mixture of b-sitosterol and stigmasterol, the terpenoid loliolide, the guanidine alkaloid N-1,N-2,N-3-triisopentenylguanidine and the phenolic compound corilagin. The structures of these compounds were elucidated by spectroscopic analysis. The antimicrobial and antiproliferative properties of the crude methanolic extract of the leaves and of fractions from its fractionation, were investigated against a series of bacteria and fungi, as well as against four human cancer cell lines.
  • Evaluación de la estructura porosa de los materiales MCM-22, MCM-36 e ITQ-2 empleando el test catalitico del n-decano

    Pergher, Sibele B. C.; Corma, Avelino; Fornés, Vicente

    Abstract in English:

    The void structure of zeolites MCM-22, MCM-36 and ITQ-2 were discussed on the bases of catalytic reaction tests. The hydromerization of n-decane on bifunctional Pt/Zeolite Catalysts have been used as model reactions. Beta and ZSM-5 zeolites were used for comparison. It is concluded that all materials show features of 10MR zeolites and have also pores bigger than 12MR in this order MCM-22<MCM-36<ITQ-2.
  • Efeito do polietilenoglicol e da albumina na imobilização de lipase microbiana e na catálise em meio orgânico Artigo

    Soares, Cleide Mara Faria; Santana, Maria Helena Andrade; Zanin, Gisella M.; Castro, Heizir F. de

    Abstract in English:

    Poly (ethylene) glycol (PEG) and bovine serum albumin (BSA), as additive agents, were used to enhance the activity of immobilized microbial lipase in organic solvent. Controlled pore silica (CPS) was selected as matrix and different immobilization procedures were evaluated: directly lipase binding on CPS and simultaneous addition of lipase and additive agent on the same support. The highest coupling yield (59.6%) was attained when the immobilization procedure was performed at lipase loading of 150 U/g support in the presence of PEG-1.500. This immobilized system was used in esterification reactions under repeated batch cycles and the biocatalyst half-life was found to increase 2.7 times when compared with the control.
  • Aplicações eletroanalíticas com eletrodos de prata confeccionados a partir de CDs graváveis Artigo

    Richter, Eduardo M.; Jesus, Dosil P. de; Neves, Carlos A.; Lago, Claudimir L. do; Angnes, Lúcio

    Abstract in English:

    This paper presents a new way for the construction of silver electrodes utilizing recordable CDs. The new electrodes were explored for the quantification of chloride (by potentiometry/FIA), cyanide (by amperometry/FIA) and for lead analysis (by square wave voltammetry). For the flowing measurements, a digital multimeter, connected to a microcomputer (via RS 232 interface) was used to collect directly the potential signal (for Cl- measurements) or to take the output signal from a potentiostat (for CN- measurements). The square wave voltammetry analysis was performed in a commercial instrument. The results shown good performance of the new electrodes and the detection limit (s/n = 3) attained for these three analytes were: 0.2, 50, and 200 µg L-1 for Pb2+, Cl-, and CN- respectively.
  • Determinação voltamétrica de 4-clorofenol sobre o eletrodo de diamante dopado com boro utilizando a voltametria de onda quadrada Artigo

    Pedrosa, Valber de Albuquerque; Codognoto, Lúcia; Avaca, Luis Alberto

    Abstract in English:

    The anodic voltammetric behavior of 4-chlorophenol (4-CF) in aqueous solution has been studied on a Boron-doped diamond electrode using square wave voltammetry (SWV). After optimization of the experimental conditions, 4-CF was analyzed in pure and natural waters using a Britton-Robinson buffer with pH = 6.0 as the supporting electrolyte. Oxidation occurs at 0.80 V vs Ag/AgCl in a two-electron process controlled by adsorption of the species. The detection limits obtained were 6.4 µg L-1 in pure water and 21.5 µg L-1 for polluted water taken from a local creek, respectively. The combination of square wave voltammetry and diamond electrodes is an interesting and desirable alternative for analytical determinations.
  • Modelo de calibração da concentração de metilmetacrilato em solução aquosa utilizando espectroscopia de absorção no ultravioleta Artigo

    Cunha Jr., Albano Porto da; Cunha, Vicente de Paula Prisco da; Silveira Jr., Landulfo; Martin, Aírton Abrahão

    Abstract in English:

    Dilutions of methylmetacrylate ranging between 1 and 50 ppm were obtained from a stock solution of 1 ml of monomer in 100 ml of deionised water, and were analyzed by an absorption spectrophotometer in the UV-visible. Absorbance values were used to develop a calibration model based on the PLS, with the aim to determine new sample concentrations. The number of latent variables used was 6, with the standard errors of calibration and prediction found to be 0,048 ml/100 ml and 0,058 ml/100 ml. The calibration model was successfully used to calculate the concentration of monomer released in water, where complete dentures were kept for one hour after polymerization.
  • Dióxido de estanho nanoestruturado: síntese e crescimento de nanocristais e nanofitas Revisão

    Maciel, Adeilton P.; Longo, Elson; Leite, Edson R.

    Abstract in English:

    The objectives of this work are to supply a basic background on nanostructured materials and also to report about the obtaining of nanoparticles, mainly, tin dioxide nanocrystalline particles (obtained by using the polymeric precursor method) presenting a high stability against particle growth due to the usage of a metastable solid solution. The synthesis and growth of SnO2 nanoribbons by a carbothermal reduction process are also discussed.
  • The chemistry involved in the steam treatment of lignocellulosic materials

    Ramos, Luiz Pereira

    Abstract in English:

    Pretreatment of lignocellulosic materials is essential for bioconversion because of the various physical and chemical barriers that greatly inhibit their susceptibility to bioprocesses such as hydrolysis and fermentation. The aim of this article is to review some of the most important pretreatment methods developed to date to enhance the conversion of lignocellulosics. Steam explosion, which precludes the treatment of biomass with high-pressure steam under optimal conditions, is presented as the pretreatment method of choice and its mode of action on lignocellulosics is discussed. The optimal pretreatment conditions for a given plant biomass are defined as those in which the best substrate for hydrolysis is obtained with the least amount of soluble sugars lost to side reactions such as dehydration. Therefore, pretreatment optimization results from a compromise between two opposite trends because hemicellulose recovery in acid hydrolysates can only be maximized at lower pretreatment severities, whereas the development of substrate accessibility requires more drastic pretreatment conditions in which sugar losses are inevitable. To account for this heterogeneity, the importance of several process-oriented parameters is discussed in detail, such as the pretreatment temperature, residence time into the steam reactor, use of an acid catalyst, susceptibility of the pretreated biomass to bioconversion, and process design.
  • Fixação de nitrogênio: estrutura, função e modelagem bioinorgânica das nitrogenases Revisão

    Nunes, Fábio Souza; Raimondi, Angela Cristina; Niedwieski, Antonio Carlos

    Abstract in English:

    Biological nitrogen fixation, catalyzed by nitrogenases, contributes about half of the nitrogen needed to global agriculture. For forty years synthetic chemists and theoreticians have tried to understand and model the structure and function of this important metalloenzyme. Ten years after the first report on the crystal structure of the MoFe protein, scientists still have not been able to synthesize a chemical equivalent of the FeMo cofactor nor the structure knowledge revealed the key to its catalytic activity. This paper with 104 references presents a review of the most relevant advances in chemical nitrogen fixation and their relation with the nitrogenases.
  • Electrochemistry and green chemical processes: electrochemical ozone production

    Silva, Leonardo M. da; Santana, Mário H. P.; Boodts, Julien F. C.

    Abstract in English:

    After an introductory discussion emphasising the importance of electrochemistry for the so-called Green Chemical Processes, the article presents a short discussion of the classical ozone generation technologies. Next a revision of the electrochemical ozone production technology focusing on such aspects as: fundamentals, latest advances, advantages and limitations of this technology is presented. Recent results about fundamentals of electrochemical ozone production obtained in our laboratory, using different electrode materials (e.g. boron doped diamond electrodes, lead dioxide and DSAÒ-based electrodes) also are presented. Different chemical processes of interest to the solution of environmental problems involving ozone are discussed.
  • Intensities of 4f-4f transitions in glass materials

    Malta, Oscar L.; Carlos, Luís D.

    Abstract in English:

    In this article we review some of the basic aspects of rare earth spectroscopy applied to vitreous materials. The characteristics of the intra-atomic free ion and ligand field interactions, as well as the formalisms of the forced electric dipole and dynamic coupling mechanisms of 4f-4f intensities, are outlined. The contribution of the later mechanism to the 4f-4f intensities is critically discussed, a point that has been commonly overlooked in the literature of rare earth doped glasses. The observed correlation between the empirical intensity parameter W2 and the covalence of the ion first coordination shell is discussed accordingly to the theoretical predictions.
  • Proteínas tirosina fosfatases: propriedades e funções biológicas Revisão

    Aoyama, Hiroshi; Silva, Telma Maria Araújo; Miranda, Márcio André; Ferreira, Carmen Veríssima

    Abstract in English:

    Protein phosphorylation-dephosphorylation catalyzed by the opposing and dynamic action of protein kinases and phosphatases probably, is the most crucial chemical reaction taking place in living organisms. Protein phosphatases are classified according to their substrate specificity and sensitivity to inhibitory or activator agents, into two families of protein phosphatases: serine/threonine phosphatases and tyrosine phosphatases (PTPs). PTPs can be divided into 3 groups: tyrosine specific phosphatases, dual and low molecular weight phosphatases. The role of tyrosine phosphorylation in mitogenic signaling is well documented, and one would predict that vanadate, pervanadate and other oxidant agents (protein tyrosine phosphatase inhibitors) may act as a growth stimulator.
  • EDTA: the chelating agent under environmental scrutiny

    Oviedo, Claudia; Rodríguez, Jaime

    Abstract in English:

    The chelating agent EDTA (ethylenediaminetetraacetic acid) is a compound of massive use world wide with household and industrial applications, being one of the anthropogenic compounds with highest concentrations in inland European waters. In this review, the applications of EDTA and its behavior once it has been released into the environment are described. At a laboratory scale, degradation of EDTA has been achieved; however, in natural environments studies detect poor biodegradability. It is concluded that EDTA behaves as a persistent substance in the environment and that its contribution to heavy metals bioavailability and remobilization processes in the environment is a major concern.
  • Sucroquímica: síntese e potencialidades de aplicações de alguns derivados químicos de sacarose Divulgação

    Boscolo, Maurício

    Abstract in English:

    The interest on the use of sucrose as raw material increased in the last years. In this work, the synthesis and applications of sucrose derivatives as esters, ethers, and other products are discussed in a concise manner aiming to presenting the sucrochemistry as a promising field in organic chemistry from a rather accessible, low-priced, ecological, and renewable source.
  • O uso de radiação ultravioleta para o pré-tratamento de amostras em análise inorgânica Divulgação

    Cavicchioli, Andrea; Gutz, Ivano Gebhardt Rolf

    Abstract in English:

    The basic principles of UV irradiation as sample pre-treatment step and its potential for inorganic analysis are illustrated and discussed through significant examples from the literature. Not only does this overview cover the classical applications of this technique in the decomposition of organic matter in electroanalysis, but it also presents recent trends, including the increasing interest in employing UV irradiation in flow analytical systems, successful attempts to enhance its effectiveness and the coupling with chromatographic and spectroscopic methodologies. Furthermore, a number of relevant cases of UV-driven derivatization reactions involving photo-sensitive inorganic species are presented, showing some convenient options to perform fast and reliable determination of inorganic and organic analytes.
  • Dirhamnosyl flavonoid and other constituents from Brillantaisia palisatii

    Berrondo, Luciane Fátima; Gabriel, Felipe Teixeira; Fernandes, Sidnei Bessa de Oliveira; Menezes, Fábio de Sousa; Moreira, Davyson de Lima

    Abstract in English:

    A mixture containing sitosterol and stigmasterol; a new triterpene 3-epi-ursolic acid; another triterpene mixture comprising a-amyrin, b-amyrin and lupeol; verbascoside, a phenylpropanoid glycoside; and lespedin, a glycosyl flavonoid, were isolated. The less polar compounds (steroids and triterpenoids) were isolated from the hexane partition of the crude ethanolic extract while the more polar ones (phenylpropanoid glycoside and glycosyl flavonoid) were isolated from the ethyl acetate partition of the same extract. The structures of all compounds were established using modern spectrometric methods of elucidation. The spectroscopic data of Lespedin, a rare dirhamnosylflavonol with hypotensor activity and of the triterpene, 3-epi-ursolic acid, are also reported.
  • Recuperação de metais de catalisadores mássicos e monometálicos Nota técnica

    Afonso, Júlio Carlos; Lima, Tatiana Siqueira de; Campos, Paula Constante; Pinheiro, Ana Acácia de Sá

    Abstract in English:

    This work presents a study on the dissolution of some commercial monometallic and non-supported deactivated catalysts in HF + H2O2 mixtures (and, eventually, other media) under mild experimental conditions, after a previous oxidation step. The samples were neither crushed nor grinded. The best experimental conditions were dependent on the nature of the support and of the active phase. For example, the Pt/Al2O3 catalyst was dissolved in about 10 minutes, without agitation and heating; however, dissolution of the Pd/Al2O3, Ni/Al2O3, Ni/SiO2, Cu/Al2O3 and V2O5 samples required a temperature of 60 ºC and an agitation of 400 rpm. A careful addition of a NaOH solution allowed a quantitative precipitation of aluminium as criolite (Na3AlF6) or precipitation of Si as Na2SiF6; NaF was obtained as a by-product. As expected, processing of Pd/C, V2O5 and CuO.Cr2O3 samples was relatively simple. Metals recovery from catalysts reached a quantitative level in all samples studied; it is particularly interesting that platinum and palladium could be easily recovered in a single step process, thus separing them from aluminium.
  • Recuperação de sílica-gel utilizando processos oxidativos avançados: uma alternativa simples e de baixo custo Nota técnica

    Teixeira, Silvio César Godinho; Mathias, Leda; Canela, Maria Cristina

    Abstract in English:

    Silica gel is widely used as adsorbent for isolating and purifying natural compounds. Intensive use and high cost make this process expensive and generate solid residues contaminated with many different organic compounds. In the present work a simple method for recycling silica was investigated, by using Advanced Oxidative Processes. Silica gel was treated with H2O2/solar light and compared with a sample treated by conventional methods (high temperature and oxidation with KMnO4). High temperature treatment changes the structure of the silica and, consequently, the separation efficiency. Oxidation by using KMnO4 requires multiple steps and produces residues, including manganese and oxalic acid. The method using H2O2/solar light to recuperate silica gel does not modify its separation efficiency and is less expensive than the traditional methods. Additionally, HPLC and GC-MS analysis indicate that H2O2/solar light eliminates all residues of the silica gel.
  • Eletrodeposição de irídio em tubo de grafite como modificador químico permanente em espectrometria de absorção atômica Nota técnica

    Naozuka, Juliana; Oliveira, Pedro V.; Pedrotti, Jairo J.

    Abstract in English:

    A tubular electrochemical flow-cell for iridium deposition on the inner surface of pyrolytic graphite tube for permanent chemical modification is proposed. A transversal heated graphite tube was used as working electrode, a cylindrical piece of graphite inserted into the graphite tube as auxiliary electrode, and a micro Ag/AgCl(sat) as reference electrode. Iridium solution in 1.0 mol L-1 HCl, flowing at 0.55 mL min-1 for 60 min was used to perform the electrochemical modification. The applied potential to the flow-cell was - 0.700 V vs Ag/AgCl. Scanning electron microscopy images were taken for thermal and electrochemical modified graphite surface in order to evaluate the iridium distribution. Selenium hydride trapping was used to verify the performance of the proposed permanent chemical modifier.
  • Tratamento dos resíduos gerados na síntese de polianilina em escala pré-piloto Nota técnica

    Sousa, Rafael Arromba de; Araújo, Olacir Alves; Freitas, Patrícia S. de; De Paoli, Marco-A.

    Abstract in English:

    Polyaniline (PAni) is one of the most studied conducting polymer. It can be synthesized by two methods: electrochemical or chemical oxidation. The chemical oxidation is more adequate to produce large quantities of polymer. Regardless of the synthesis scale, the treatment of the residues before its final destination is very important and necessary because it contains toxic aniline derivatives (carcinogens in some cases), acids and inorganic salts, both with low toxicity. In this work we discuss the methods used to treat these residues and to eliminate and discard the toxic substances. These were extracted from the reaction residues by using activated coal and the pH of the residue was neutralized.
  • Preparação e caracterização do complexo cobaloxima e sua utilização na construção de um eletrodo modificado: um experimento eletroquímico no curso de graduação Educação

    Borgo, Claudemir A.; Lazarin, Angélica M.; Davanzo, Celso U.; Gushikem, Yoshitaka

    Abstract in English:

    The present experiment describes the preparation, characterization of n-butyl(pyridil)cobaloxime complex and its electrochemical property. The infrared and uv-visible absorption spectra were used to characterize the complex obtained. The infrared spectrum of the compound showed characteristics bands that indicated the formation of the Co-C chemical bond formation. The electronic absorption spectrum in acetonitrile showed transition bands attributed to p-p*, metal-to-ligand charge transfer, d-d transitions and charge transfer Co-C. The electrochemical property was investigated by the pulse differential voltammetry technique. Two oxidation processes: Co(I)/Co(II) at -423 mV and Co(II)/Co(III) at 752 mV were observed.
  • Estabilidade relativa de alcenos: análise dos critérios encontrados nos livros textos de graduação e uma proposta de explicação operacional para alcenos dissubstituídos Educação

    Cunha, Silvio

    Abstract in English:

    Despite of being used as thermodynamic criterion to rank alkene stability in a number of undergraduate textbooks, the heat of hydrogenation does not describe adequately the relative stability of disubstituted alkenes. In this work, both the heat of formation and the heat of combustion were used as thermodynamic criteria to rank correctly the stability of alkenes according to the degree of alkyl substitution and also in the disubstituted series (geminal > trans > cis). An operational model based on molecular orbital and valence bond representations of hyperconjugation is proposed to show how this effect can explain the order of stability of this class of compounds.
  • Avaliação da susceptibilidade magnética usando uma balança analítica Educação

    Carneiro, Antonio Adilton O.; Touso, Alessandro Tadeu; Baffa, Oswaldo

    Abstract in English:

    A simple system to measure the magnetic susceptibility of different materials is presented. The system uses an analytical scale with sensitivity on the order of micrograms and a permanent NdBFe magnet, based in the Rankine method. In this apparatus, the sample is placed near to the magnet that is fixed on the scale. Depending on the magnetic properties of the sample, an attractive or repulsive force will appear between the magnet and the magnetizing sample. Measuring this force, registered by the scale as a mass, the magnetic parameters such as: permeability and susceptibility of the sample can be determined. Despite it is simplicity the method is quantitative, precise and easily reproducible in many laboratories, what makes it attractive for teaching experiments.
  • Qual o sítio de reação? Um experimento computacional Educação

    Galembeck, Sérgio E.; Caramori, Giovanni F.

    Abstract in English:

    A computational quantum chemistry experiment is described on the determination of the most reactive atom in a molecule for a reaction. The reaction studied was the S N2 of 4-(dimethylamino)pyridine and methyl iodide. Several indexes (HOMO coefficent, (c), charges, (q), nucleophilic softness, (s+), and Fukui index, (f+)) were employed to verify which correctly describe what nitrogen will react. The calculations were made by AM1 and HF/STO-3G methods. The correct reactivity order is only reproduced by s+ and f+. The lack of agreement of FMO based indexes was discussed.
  • Um experimento-charada usando data-show e resinas de troca iônica Educação

    Osorio, Viktoria Klara Lakatos; Kuya, Miuaco Kawashita; Maia, Alessandra de Souza; Oliveira, Wanda de

    Abstract in English:

    A demonstractive experiment was proposed in order to verify students' habilities in recognizing the presence and nature of ions in solutions, before and after their passage through ion-exchange columns. The students have no previous contact with ion-exchange resins, so they must deduce how they work and explain the experimental facts. The performance of classes, at different stages of learning, is compared and discussed.
  • Um olhar holístico sobre a química de produtos naturais brasileira Assuntos gerais

    Pinto, Angelo C.; Rezende, Claudia M.; Garcez, Fernanda R.; Epifanio, Rosângela de A.

    Abstract in English:

    This paper describes a comparative analysis on natural product chemistry between the Brazilian Chemical Society journals and twelve representative international publications in the area. The search using the ISI Web of Knowledge disclosed 41,362 publications in the years 2000-2002 containing at least one researcher from a Brazilian Institution, from which 12% belongs to natural products.
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