Química Nova, Volume: 25, Issue: 3, Published: 2002
  • Untitled document Editorial

    Dias, Luiz Carlos
  • Triterpenes from Styrax camporum (styracaceae) Artigo

    Pauletti, Patrícia Mendonça; Araújo, Angela Regina; Bolzani, Vanderlan da Silva; Young, Maria Claudia Marx

    Abstract in English:

    Chemical investigation of the leaves of Styrax camporum (Styracaceae) resulted in the isolation of the lignan lariciresinol and six triterpenes: ursolic acid, 2alpha,3alpha-dihydroxy-urs-12-en-28-oic acid and mixtures of uvaol and erythrodiol, as well as 3beta-O-trans-p-coumaroyl-2alpha-hydroxy-urs-12-en-28-oic acid and 3b-O-trans-p-coumaroylmaslinic acid. The structures of these compounds were established by spectroscopic analysis. This paper deals with the first report of these compounds in S. camporum.
  • Colorimetric determination of atmospheric nitrogen dioxide using preconcentration on c-18 cartridge Artigo

    Ugucione, Cássia; Gomes Neto, José de Anchieta; Cardoso, Arnaldo Alves

    Abstract in English:

    An alternative analytical method for nitrogen dioxide (NO2) in atmosphere was developed. The collection of NO2 is performed by a Sep-Pack C-18 cartridge impregnated with 11% (v/v) of triethanolamine plus 3,6 % (v/v) of ethylene glycol plus 25 % (v/v) of acetone combined solution. When the impregnating is used, NO2 is collected with good repeatibility (CV = 3,3 %). The NO2 absorbed in the sampler was stripped from the sorbent with a methanol 5% (v/v) aqueous solution and was determined by colorimetry as nitrite by using the Griess-Saltzman reagent. The detection limit of 1,4 ppb for 60 min sampling at 0,5 L min-1 flow rate was obtained. Preparation and conditioning procedures for TEA-C-18 cartridge, sampling flow rate, absorption capacity and interference of other species are discussed.
  • Studies of urea geometry by means of ab initio methods and computer simulations of liquids Artigo

    Cirino, José Jair Vianna; Bertran, Celso Aparecido

    Abstract in English:

    A study was carried out on the urea geometries using ab initio calculation and Monte Carlo computational simulation of liquids. The ab initio calculated results showed that urea has a non-planar conformation in the gas phase in which the hydrogen atoms are out of the plane formed by the heavy atoms. Free energies associated to the rotation of the amino groups of urea in water were obtained using the Monte Carlo method in which the thermodynamic perturbation theory is implemented. The magnitude of the free energy obtained from this simulation did not permit us to conclude that urea is non-planar in water.
  • Thermal decomposition of pinacolone diperoxide (3,6-ditertbutyl-3,6-dimethyl-1,2,4,5-tetraoxacyclohexane) in 2-methoxyethanol solution

    Eyler, Gladys N.; Cañizo, Adriana I.; Nesprias, Rosa K.

    Abstract in English:

    The thermal decomposition reaction of pinacolone diperoxide (DPP; 0.02 mol kg-1) in 2-methoxyethanol solution studied in the temperature range of 110.0-150.0 °C, follows a first-order kinetic law up to at least 50% DPP conversion. The organic products observed were pinacolone, methane and tert-butane. A stepwise mechanism of decomposition was proposed where the first step is the homolytic unimolecular rupture of the O-O bond. The activation enthalpy and activation entropy for DPP in 2-methoxyethanol were calculated (deltaH# = 43.8 ± 1.0 kcal mol-1 and deltaS# = 31.9 ± 2.6 cal mol-1K-1) and compared with those obtained in other solvents to evaluate the solvent effect.
  • Archaeometric study of Guará, Goiás, Brazil ceramics Artigo

    Sabino, Claudia V. Schayer; Neves, Otaviano F. N.; Franco, Milton B.; Wust, Irmhild; Prous, Andre P.

    Abstract in English:

    There is no evidence of urban civilization in Brazilian prehistory; most inhabitants lived in tribal groupings, probably with regional economic integration among several independent tribes. There is little evidence of seasonal migrations between the coast and the inland of southern Brazil. Some specialized horticulturists competed among themselves but other groups lived more isolated and probably peacefully, in the upper interfluvial regions. Chemical analysis of artifacts is a means of documenting traffic in particular materials and intraregional production and distribution, development of craft specialization and typological refinement among other issues. In this study we tested some possibilities in two different cultural contexts using the parametric k0 neutron activation analysis technique, which allowed the determination of elements: Al, As, Au, Ce, Cl, Co, Cr, Cs, Cu, Fe, Ga, K, La, Na, Rb, Sc, Ta, Ti, V and Zn.
  • Analytical alternative for the physical-chemical speciation of mercury in tropical coastal waters Artigo

    Marins, Rozane V.; Paraquetti, Heloísa Helena M.; Ayres, Gisele A.

    Abstract in English:

    The determination of the physical-chemical mercury speciation in tropical coastal waters using the derivatization technique with CVAFS detection was optimized. This methodology is able to separate the elementary, reactive, organic and total mercury phases with low operational costs. The importance of bromide chloride solution, the diluted aqua regia, used as the oxidative solution, and different compositions of the reductive solution of stannous chloride were tested and the better results for coastal waters are presented. The recuperation of the sum of the different phases ranges from 80 to 94% of the total Hg content in duplicates of different marine samples. The optimized methodology permits important studies on the mercury cycle in the coastal environment.
  • Influence of the platform geometry on lead determination in zidovudine (AZT) by ET AAS Artigo

    Moreira, Fátima R.; Moreira, Josino C.; Pivetta, Fatima; Coutada, Leonardo

    Abstract in English:

    The aim of this work was to compare the performances of the L'vov and integrated platforms in order to overcome the interferences found on lead determination in zidovudine by ET AAS. Pyrolysis and atomization temperatures found with integrated platform were 700 and 1400°C, respectively. The characteristic masses were 12.7 ± 1.2 pg with integrated platform and 11.1 ± 1.3 pg with grooved platform. The ratio between the slopes of zidovudine and aqueous curves shows a decrease in the interferences when the L'vov platform is used (bAZT/b aq = 0.97 ± 0.10) and the detection limit found was 0.03 µg.g-1. That ratio was 0.85 ± 0.07 with the integrated platform.
  • Occupational exposure to volatile organic compounds in the naval industry Artigo

    Costa, Maria de Fátima Barrozo da; Costa, Marco Antonio Ferreira da

    Abstract in English:

    The scope of this study involved the evaluation of the concentration of some volatile organic compounds in the internal environmental air of a naval shipyard in the State of Rio de Janeiro, during painting activities in enclosed, semi-enclosed and open areas. Xylene was the volatile compound found in greatest abundance (25.20 to 191.66 ppm) in the locations researched. Benzene in the air, which is a carcinogenic substance, attained levels of 3.34 ppm in semi-enclosed environments and the highest levels of toluene, xylene and n-butanol were found in the enclosed space of the ship. Results obtained highlight the need to establish air quality control programs in these internal areas, in order to safeguard the health of the workers.
  • Flow injection spectrophotometric determination of paracetamol (acetaminophen) in pharmaceutical formulations Artigo

    Aniceto, Clezio; Fatibello-Filho, Orlando

    Abstract in English:

    A flow injection spectrophotometric procedure is proposed for the determination of paracetamol (acetaminophen) in pharmaceutical formulations. Powdered and liquid samples were previously dissolved/diluted in 0.05 mol L-1 hydrochloric acid solution and a volume of 250 µL was injected directly into a carrier stream of this same acid solution, flowing at 2.5 mL min-1. Paracetamol reacts with sodium hypochlorite forming N-acetyl-p-benzoquinoneimine which then reacts with sodium salicylate in sodium hydroxide solution yielding a blue indophenol dye which was measured at 640 nm in the pH range of 9.5-10.0. Paracetamol was determined in pharmaceutical products in the 1.0 to 100.0 mg L-1 (3.3x10-6 a 6.6x10-4 mol L-1) concentration range, with a detection limit of 0.5 mg L-1 (1.6x10-6 mol L-1). The recovery of this analyte in five samples ranged from 98.0 to 103.6 %. The analytical frequency was 80 determinations per hour and the RSDs were less than 1% for paracetamol concentrations of 25.0, 50.0 and 75.0 mg L-1 (n=10). A paired t-test showed that all results obtained for paracetamol in commercial formulations using the proposed flow injection procedure and a spectrophotometric batch procedure agree at the 95% confidence level.
  • Infrared and x-ray photoelectron spectroscopy study of chloride effect in palladium catalysts Artigo

    Cunha, Eduardo V.; Faccin, Flávio; Moro, Celso C.; Benvenutti, Edilson V.; Castro, Sandra C. de

    Abstract in English:

    Chloride poisoning is known as having an inhibitor effect in the activity of metal catalysis. In this work in situ infrared spectroscopy (FTIR) of adsorbed carbon monoxide and x-ray photoelectron spectroscopy (XPS) were used to investigate the effect of chloride presence in the electronic metal density in the d subshell of palladium dispersed on alumina. The chloride poisoning effect was interpreted as an electronic effect since a weak back-bonded Pd-CO was formed due to the decrease in the electronic density of the d subshell of palladium, which could be also detected by the higher Pd 3d5/2 binding energy in the chloride presence. A similar poisoning effect was also observed for chloride free Pd/Al2O3 reduced at 500 ºC, and it was interpreted based on the interaction of metal with the alumina surface. The use of molybdena/alumina binary system as support, yield a contrary effect due to the metal-support interaction.
  • Electrothermal atomic absorption spectrometry with tungsten coil: a critical re-view Revisão

    Ribeiro, Anderson Schwingel; Arruda, Marco Aurélio Zezzi; Cadore, Solange

    Abstract in English:

    In this review it is presented some aspects of electrothermal atomic absorption spectrometry with tungsten coil (ETAW-AAS) since its beginning until the present days as well as the perspectives for this technique. Some aspects concerning its development and theoretical concepts are discussed. The analytical figures of merit such as limit of detection (LD), characteristic mass (m0), relative standard deviation (RSD), accuracy and precision are evaluated, compared and discussed considering published works. It is also evaluated its advantages, applications, limitations and instrumental development. The use of diode laser as radiation source and its perspectives to ETAW are also discussed.
  • Passive sampling of atmospheric pollutantes: aplication to SO2 Revisão

    Cruz, Lícia Passos dos Santos; Campos, Vânia Palmeira

    Abstract in English:

    The passive sampling technique has been widely used for many years in the measurement of personal exposure to pollutantes in the workplace. In recent years the technique has been used too for measurements in ambient air. In the specific case of SO2 a variety of passive samplers have been described in the literature. The great number are diffusive samplers and some few are permeation samplers. They are basically of two types: badge and tube-type. However there are more than 10 variations in relation to the sampler dimensions, diffusion barriers and pollutant sorption medium. The technique trend to be very used in the near future with samplers able to reach very low detection limits, proposing a viable option for monitoring specific species at urban, regional and global scales.
  • Flow injection analysis - capillary electrophoresis hyphenated systems (FIA-CE): challenges, applications and perspectives Revisão

    Miranda, Carlos E. S.; Carrilho, Emanuel; Gervasio, Ana Paula; Giné, Maria Fernanda

    Abstract in English:

    A review about the state-of-the-art of flow injection analysis (FIA) -- capillary electrophoresis (CE) systems is presented. The basic principles of flow injection and capillary electrophoresis are briefly revised. The main aspects of the FIA-CE hybridization, including advantages and shortcomings, are discussed. Some applications involving all different designs are also presented. This review covers the literature from 1997 up to 2000.
  • Methods of extraction and determination of the herbicide glyphosate: compact revision Revisão

    Amarante Júnior, Ozelito Possidônio de; Santos, Teresa Cristina Rodrigues dos; Brito, Natilene Mesquita; Ribeiro, Maria Lúcia

    Abstract in English:

    This paper supplies a compact revision about the main extraction, clean-up and pre-concentration methods of the herbicide glyphosate for water and soil samples, as well as methods for its determination and quantification.
  • Medicinal plants: the need for multidisciplinary scientific studies Divulgação

    Maciel, Maria Aparecida M.; Pinto, Angelo C.; Veiga Jr., Valdir F.; Grynberg, Noema F.; Echevarria, Aurea

    Abstract in English:

    This paper presents a program emphasizing ethnopharmacological approaches that could allow great success in the study of medicinal plants. The minimum ethnopharmacological research team should consist of a botanist, a chemist and a pharmacologist with each carrying the responsibility for answering in sequential fashion critical questions. The chemical composition and pharmacological properties of the very efficient medicinal plant Croton cajucara were investigated according to ethnopharmacological approaches. The study with this Croton proved to be both efficient and successful. This happy situation was only possible because a multidisciplinary team was involved getting the research done correctly. The ethnopharmacological study involving one other especies Copaifera will be cited.
  • Variable selection in QSAR Divulgação

    Ferreira, Márcia Miguel Castro; Montanari, Carlos Alberto; Gaudio, Anderson Coser

    Abstract in English:

    The process of building mathematical models in quantitative structure-activity relationship (QSAR) studies is generally limited by the size of the dataset used to select variables from. For huge datasets, the task of selecting a given number of variables that produces the best linear model can be enormous, if not unfeasible. In this case, some methods can be used to separate good parameter combinations from the bad ones. In this paper three methodologies are analyzed: systematic search, genetic algorithm and chemometric methods. These methods have been exposed and discussed through practical examples.
  • Plants of the genus Bauhinia: chemical composition and pharmacological potential Divulgação

    Silva, Karina Luize da; Cechinel Filho, Valdir

    Abstract in English:

    Plants of the genus Bauhinia (Leguminosae) are widely distributed in most tropical countries and have been frequently used in folk medicine to treat several ailments, especially diabetes. In recent years, the interest in these plants has increased considerably in all world. This review shows the main chemical and pharmacological aspects of these plants. The studies carried out with the extracts and purified compounds from these plants support most of their reported therapeutic properties. It also gives an account of some compounds including terpenes, steroids and flavonoids that were isolated from the genus Bauhinia.
  • Analytical use of vegetal tissue and crude extract as enzymatic source Divulgação

    Fatibello-Filho, Orlando; Vieira, Iolanda da Cruz

    Abstract in English:

    This article describes the current status of several analytical methodologies using vegetal tissue and crude extracts as enzymatic source. In this divulgation paper the obtention of vegetal crude extract and/or tissue and selected enzymatic procedures are presented emphasizing its characteristics and peculiarities. Examples of many biosensors and/or flow injection procedures using vegetal tissues or crude extracts for the determination of many analytes, such as amines, ascorbic acid, ethanol, glutamate, hydrogen peroxide, oxalic acid, pectins, phenolic compounds and urea of biologic, environmental, food, pharmaceutical and industrial interests are also given and discussed.
  • Techniques for the execution profile analysis and optimization of computational chemistry programs Divulgação

    Gomes, André S. P.; Martins, Lucimara R.; Vazquez, Pedro A. M.

    Abstract in English:

    In this paper we review the basic techniques of performance analysis within the UNIX environment that are relevant in computational chemistry, with particular emphasis on the execution profile using the gprof tool. Two case studies (in ab initio and molecular dynamics calculations) are presented in order to illustrate how execution profiling can be used to effectively identify bottlenecks and to guide source code optimization. Using these profiling and optimization techniques it was possible to obtain significant speedups (of up to 30%) in both cases.
  • Low power fuel cells for stationary applications Divulgação

    Wendt, Hartmut; Linardi, Marcelo; Aricó, Eliana M.

    Abstract in English:

    A paradigmatic shift in developing fuel cell for stationary applications has been occurring in the last ten years. Previously, 100 kW class to a few MW class power plants were preferred but recently, the development has drifted towards units of only a few kW. The motivation is the present market situation, which favors disperse residential electric power generation from natural or liquefied gas. Membrane-type fuel cells are very promising for this application, due to their present state of development in the automobile industry. More recently, small ceramic fuel cells (SOFC) has also been found to be adequate for this application. Considering a family of 4 members, 1 kW (electric) units seem to be optimal for individual residences. This presentation discusses briefly the Brazilian scenario with respect to these units.
  • Photoelectrochemical discoloration and degradation of organic pollutants in aqueous solutions Nota Técnica

    Bertazzoli, Rodnei; Pelegrini, Ronaldo

    Abstract in English:

    Organic compounds responsible for the color of wastewaters are usually refractory to biological digestion. In this paper the photo-assisted electrolysis process is used for color removal from three of the most colored wastewaters, which are daily generated in large amounts: the E1 bleach Kraft mill effluent, a textile reactive dye effluent and a landfill leachate. Electrolysis was carried out at 26,5 mA cm-2 in a flow reactor in which the anode surface was illuminated by a 400 W high pressure Hg bulb. In all experiments 70-75% of color reduction was observed which was also followed by a net organic load oxidation.
  • Didactic experiments in analytical chemistry involving phase separations and preconcentration Educação

    Nascentes, Clésia C.; Arruda, Marco A. Z.; Maniasso, Nelson

    Abstract in English:

    The aim of this work was to propose two different didactic experiments, which can be used in practical classes of analytical chemistry courses. More flexible experiments related to the theme, giving some options to the instructor are proposed. In this way, the Experiment 1 was divided in two parts. In the first one, the visualization of two distinct phases separation is emphasized: the rich and the poor phases in surfactant. In the second part, the metal pre-concentration (Co as example) is emphasized. The Experiment 2 has three different parts. In the first one, the complex formation is pointed out, in the second one, the pH influence is shown and in the last one, the influence of the complexation time is demonstrated.
  • Preparation of aluminum compounds from bauxite: considerations about some aspects involved in a didactic experiment Educação

    Constantino, Vera R. Leopoldo; Araki, Koiti; Silva, Denise de Oliveira; Oliveira, Wanda de

    Abstract in English:

    Aluminum metal and aluminum compounds have many applications in several branches of the industry and in our daily lives. The most important raw material for aluminum and its manufactured compounds is bauxite, a rock constituted mainly by aluminum hydroxides minerals. In this work, a didactic experiment aiming the preparation of alumina and potassium alum starting from bauxite is proposed for undergraduate students. Both compounds are of great commercial, scientific and historical interest. The experiment involves applications of important chemical principles such as acid-base and precipitation. Some chemical properties and uses of aluminum compounds are also illustrated.
  • ZrO2 thin film grafted on silica gel surface: preparation and Cr(VI) adsorption property Educação

    Lazarin, Angélica M.; Borgo, Claudemir A.; Gushikem, Yoshitaka

    Abstract in English:

    The present experiment describes an easy procedure for obtaining SiO2/ZrO2 by reacting ZrOCl2 with SiO2 with the following characteristics: S BET = 500 m² g-1 and an average pore diameter of 6 nm. The material obtained presented 1.3 wt% ZrO2 content corresponding to 140 mumol g-1. The average density of ZrO2 onto SiO2/ZrO2 matrix is 2.8x10-11 mol cm-2. The adsorption isotherm for Cr(VI) showed a maximum of adsorption value (200 mumol g-1) at pH 2. The adsorption can be described by the reaction: =Zr(OH)2 + 2HCrO4- + 2H+ <IMG SRC="http:/img/fbpe/qn/v25n3/9346fr1.gif">[(=Zr(OH2+)2) (HCrO4-)2]. Above the zero point of charge, i.e. pH > 5.5 due to the surface charge inversion, desorption of Cr(VI) occurs according to the reaction: [(=Zr(OH2+)2) (HCrO4-)2] + 6OH- <IMG SRC="http:/img/fbpe/qn/v25n3/9346fr1.gif">(=ZrO2)2- + 6H2O + 2CrO4(2-).
  • Interdisciplinary activities

    Nolasco, Susana María

    Abstract in English:

    The objective of this work is to show both experiences of multidisciplinary activities and the way to an interdisciplinary vision of the development of scientific -- technological investigations carried out at Engineering Faculty of the Universidad Nacional del Centro de la Provincia de Buenos Aires, under the investigation program "Seed Technology (TECSE)". Interdisciplinary teamwork is an inevitable quality in the XXI Century scientist or professional. Therefore a qualitative characteristic is imposed from a multidisciplinary work stage towards an interdisciplinary teamwork activity, turning a narrow vision of problems from a particular profession or science into an articulation of knowledge and interests to obtain an integral solution.
  • Glossário de termos usados no planejamento de fármacos (recomendações da IUPAC para 1997) Assuntos Gerais

    Sant'Anna, Carlos Mauricio R.
  • Mario Giambiagi: (1928-2002) In Memoriam

    Ferreira, Ricardo
  • Antonio Luiz Pires Valente: (1944 -- 2002) In Memoriam

    Augusto, Fabio
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